| 3043 | | Traceback (most recent call last): |
| 3044 | | File |
| 3045 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3046 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3047 | | self.status(self._last_message, self._last_color) |
| 3048 | | File |
| 3049 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3050 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3051 | | r.draw_background() |
| 3052 | | File |
| 3053 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3054 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3055 | | GL.glClear(flags) |
| 3056 | | File "src/errorchecker.pyx", line 59, in |
| 3057 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3058 | | OpenGL.error.GLError: GLError( |
| 3059 | | err = 1286, |
| 3060 | | description = b'invalid framebuffer operation', |
| 3061 | | baseOperation = glClear, |
| 3062 | | cArguments = (16640,) |
| 3063 | | ) |
| 3064 | | |
| 3065 | | OpenGL.error.GLError: GLError( |
| 3066 | | err = 1286, |
| 3067 | | description = b'invalid framebuffer operation', |
| 3068 | | baseOperation = glClear, |
| 3069 | | cArguments = (16640,) |
| 3070 | | ) |
| 3071 | | |
| 3072 | | File "src/errorchecker.pyx", line 59, in |
| 3073 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3074 | | |
| 3075 | | See log for complete Python traceback. |
| 3076 | | |
| 3077 | | Traceback (most recent call last): |
| 3078 | | File |
| 3079 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3080 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3081 | | self.status(self._last_message, self._last_color) |
| 3082 | | File |
| 3083 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3084 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3085 | | r.draw_background() |
| 3086 | | File |
| 3087 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3088 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3089 | | GL.glClear(flags) |
| 3090 | | File "src/errorchecker.pyx", line 59, in |
| 3091 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3092 | | OpenGL.error.GLError: GLError( |
| 3093 | | err = 1286, |
| 3094 | | description = b'invalid framebuffer operation', |
| 3095 | | baseOperation = glClear, |
| 3096 | | cArguments = (16640,) |
| 3097 | | ) |
| 3098 | | |
| 3099 | | OpenGL.error.GLError: GLError( |
| 3100 | | err = 1286, |
| 3101 | | description = b'invalid framebuffer operation', |
| 3102 | | baseOperation = glClear, |
| 3103 | | cArguments = (16640,) |
| 3104 | | ) |
| 3105 | | |
| 3106 | | File "src/errorchecker.pyx", line 59, in |
| 3107 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3108 | | |
| 3109 | | See log for complete Python traceback. |
| 3110 | | |
| 3111 | | Traceback (most recent call last): |
| 3112 | | File |
| 3113 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3114 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3115 | | self.status(self._last_message, self._last_color) |
| 3116 | | File |
| 3117 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3118 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3119 | | r.draw_background() |
| 3120 | | File |
| 3121 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3122 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3123 | | GL.glClear(flags) |
| 3124 | | File "src/errorchecker.pyx", line 59, in |
| 3125 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3126 | | OpenGL.error.GLError: GLError( |
| 3127 | | err = 1286, |
| 3128 | | description = b'invalid framebuffer operation', |
| 3129 | | baseOperation = glClear, |
| 3130 | | cArguments = (16640,) |
| 3131 | | ) |
| 3132 | | |
| 3133 | | OpenGL.error.GLError: GLError( |
| 3134 | | err = 1286, |
| 3135 | | description = b'invalid framebuffer operation', |
| 3136 | | baseOperation = glClear, |
| 3137 | | cArguments = (16640,) |
| 3138 | | ) |
| 3139 | | |
| 3140 | | File "src/errorchecker.pyx", line 59, in |
| 3141 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3142 | | |
| 3143 | | See log for complete Python traceback. |
| 3144 | | |
| 3145 | | Traceback (most recent call last): |
| 3146 | | File |
| 3147 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3148 | | packages/chimerax/ui/gui.py", line 172, in _update_color_scheme |
| 3149 | | self.session.logger.status(msg) |
| 3150 | | File |
| 3151 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3152 | | packages/chimerax/core/logger.py", line 522, in status |
| 3153 | | StatusLogger.status(self, msg, **kw) |
| 3154 | | File |
| 3155 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3156 | | packages/chimerax/core/logger.py", line 220, in status |
| 3157 | | if l.status(msg, color, secondary) and getattr( |
| 3158 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 3159 | | File |
| 3160 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3161 | | packages/chimerax/ui/gui.py", line 1085, in status |
| 3162 | | sbar.status(msg, color, secondary) |
| 3163 | | File |
| 3164 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3165 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3166 | | r.draw_background() |
| 3167 | | File |
| 3168 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3169 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3170 | | GL.glClear(flags) |
| 3171 | | File "src/errorchecker.pyx", line 59, in |
| 3172 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3173 | | OpenGL.error.GLError: GLError( |
| 3174 | | err = 1286, |
| 3175 | | description = b'invalid framebuffer operation', |
| 3176 | | baseOperation = glClear, |
| 3177 | | cArguments = (16640,) |
| 3178 | | ) |
| 3179 | | |
| 3180 | | OpenGL.error.GLError: GLError( |
| 3181 | | err = 1286, |
| 3182 | | description = b'invalid framebuffer operation', |
| 3183 | | baseOperation = glClear, |
| 3184 | | cArguments = (16640,) |
| 3185 | | ) |
| 3186 | | |
| 3187 | | File "src/errorchecker.pyx", line 59, in |
| 3188 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3189 | | |
| 3190 | | See log for complete Python traceback. |
| 3191 | | |
| 3192 | | Traceback (most recent call last): |
| 3193 | | File |
| 3194 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3195 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3196 | | self.status(self._last_message, self._last_color) |
| 3197 | | File |
| 3198 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3199 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3200 | | r.draw_background() |
| 3201 | | File |
| 3202 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3203 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3204 | | GL.glClear(flags) |
| 3205 | | File "src/errorchecker.pyx", line 59, in |
| 3206 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3207 | | OpenGL.error.GLError: GLError( |
| 3208 | | err = 1286, |
| 3209 | | description = b'invalid framebuffer operation', |
| 3210 | | baseOperation = glClear, |
| 3211 | | cArguments = (16640,) |
| 3212 | | ) |
| 3213 | | |
| 3214 | | OpenGL.error.GLError: GLError( |
| 3215 | | err = 1286, |
| 3216 | | description = b'invalid framebuffer operation', |
| 3217 | | baseOperation = glClear, |
| 3218 | | cArguments = (16640,) |
| 3219 | | ) |
| 3220 | | |
| 3221 | | File "src/errorchecker.pyx", line 59, in |
| 3222 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3223 | | |
| 3224 | | See log for complete Python traceback. |
| 3225 | | |
| 3226 | | Traceback (most recent call last): |
| 3227 | | File |
| 3228 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3229 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3230 | | self.status(self._last_message, self._last_color) |
| 3231 | | File |
| 3232 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3233 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3234 | | r.draw_background() |
| 3235 | | File |
| 3236 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3237 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3238 | | GL.glClear(flags) |
| 3239 | | File "src/errorchecker.pyx", line 59, in |
| 3240 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3241 | | OpenGL.error.GLError: GLError( |
| 3242 | | err = 1286, |
| 3243 | | description = b'invalid framebuffer operation', |
| 3244 | | baseOperation = glClear, |
| 3245 | | cArguments = (16640,) |
| 3246 | | ) |
| 3247 | | |
| 3248 | | OpenGL.error.GLError: GLError( |
| 3249 | | err = 1286, |
| 3250 | | description = b'invalid framebuffer operation', |
| 3251 | | baseOperation = glClear, |
| 3252 | | cArguments = (16640,) |
| 3253 | | ) |
| 3254 | | |
| 3255 | | File "src/errorchecker.pyx", line 59, in |
| 3256 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3257 | | |
| 3258 | | See log for complete Python traceback. |
| 3259 | | |
| 3260 | | Traceback (most recent call last): |
| 3261 | | File |
| 3262 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3263 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3264 | | self.status(self._last_message, self._last_color) |
| 3265 | | File |
| 3266 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3267 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3268 | | r.draw_background() |
| 3269 | | File |
| 3270 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3271 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3272 | | GL.glClear(flags) |
| 3273 | | File "src/errorchecker.pyx", line 59, in |
| 3274 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3275 | | OpenGL.error.GLError: GLError( |
| 3276 | | err = 1286, |
| 3277 | | description = b'invalid framebuffer operation', |
| 3278 | | baseOperation = glClear, |
| 3279 | | cArguments = (16640,) |
| 3280 | | ) |
| 3281 | | |
| 3282 | | OpenGL.error.GLError: GLError( |
| 3283 | | err = 1286, |
| 3284 | | description = b'invalid framebuffer operation', |
| 3285 | | baseOperation = glClear, |
| 3286 | | cArguments = (16640,) |
| 3287 | | ) |
| 3288 | | |
| 3289 | | File "src/errorchecker.pyx", line 59, in |
| 3290 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3291 | | |
| 3292 | | See log for complete Python traceback. |
| 3293 | | |
| 3294 | | Traceback (most recent call last): |
| 3295 | | File |
| 3296 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3297 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3298 | | self.status(self._last_message, self._last_color) |
| 3299 | | File |
| 3300 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3301 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3302 | | r.draw_background() |
| 3303 | | File |
| 3304 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3305 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3306 | | GL.glClear(flags) |
| 3307 | | File "src/errorchecker.pyx", line 59, in |
| 3308 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3309 | | OpenGL.error.GLError: GLError( |
| 3310 | | err = 1286, |
| 3311 | | description = b'invalid framebuffer operation', |
| 3312 | | baseOperation = glClear, |
| 3313 | | cArguments = (16640,) |
| 3314 | | ) |
| 3315 | | |
| 3316 | | OpenGL.error.GLError: GLError( |
| 3317 | | err = 1286, |
| 3318 | | description = b'invalid framebuffer operation', |
| 3319 | | baseOperation = glClear, |
| 3320 | | cArguments = (16640,) |
| 3321 | | ) |
| 3322 | | |
| 3323 | | File "src/errorchecker.pyx", line 59, in |
| 3324 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3325 | | |
| 3326 | | See log for complete Python traceback. |
| 3327 | | |
| 3328 | | Traceback (most recent call last): |
| 3329 | | File |
| 3330 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3331 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3332 | | self.status(self._last_message, self._last_color) |
| 3333 | | File |
| 3334 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3335 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3336 | | r.draw_background() |
| 3337 | | File |
| 3338 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3339 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3340 | | GL.glClear(flags) |
| 3341 | | File "src/errorchecker.pyx", line 59, in |
| 3342 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3343 | | OpenGL.error.GLError: GLError( |
| 3344 | | err = 1286, |
| 3345 | | description = b'invalid framebuffer operation', |
| 3346 | | baseOperation = glClear, |
| 3347 | | cArguments = (16640,) |
| 3348 | | ) |
| 3349 | | |
| 3350 | | OpenGL.error.GLError: GLError( |
| 3351 | | err = 1286, |
| 3352 | | description = b'invalid framebuffer operation', |
| 3353 | | baseOperation = glClear, |
| 3354 | | cArguments = (16640,) |
| 3355 | | ) |
| 3356 | | |
| 3357 | | File "src/errorchecker.pyx", line 59, in |
| 3358 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3359 | | |
| 3360 | | See log for complete Python traceback. |
| 3361 | | |
| 3362 | | Traceback (most recent call last): |
| 3363 | | File |
| 3364 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3365 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3366 | | self.status(self._last_message, self._last_color) |
| 3367 | | File |
| 3368 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3369 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3370 | | r.draw_background() |
| 3371 | | File |
| 3372 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3373 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3374 | | GL.glClear(flags) |
| 3375 | | File "src/errorchecker.pyx", line 59, in |
| 3376 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3377 | | OpenGL.error.GLError: GLError( |
| 3378 | | err = 1286, |
| 3379 | | description = b'invalid framebuffer operation', |
| 3380 | | baseOperation = glClear, |
| 3381 | | cArguments = (16640,) |
| 3382 | | ) |
| 3383 | | |
| 3384 | | OpenGL.error.GLError: GLError( |
| 3385 | | err = 1286, |
| 3386 | | description = b'invalid framebuffer operation', |
| 3387 | | baseOperation = glClear, |
| 3388 | | cArguments = (16640,) |
| 3389 | | ) |
| 3390 | | |
| 3391 | | File "src/errorchecker.pyx", line 59, in |
| 3392 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3393 | | |
| 3394 | | See log for complete Python traceback. |
| 3395 | | |
| 3396 | | Traceback (most recent call last): |
| 3397 | | File |
| 3398 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3399 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3400 | | self.status(self._last_message, self._last_color) |
| 3401 | | File |
| 3402 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3403 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3404 | | r.draw_background() |
| 3405 | | File |
| 3406 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3407 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3408 | | GL.glClear(flags) |
| 3409 | | File "src/errorchecker.pyx", line 59, in |
| 3410 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3411 | | OpenGL.error.GLError: GLError( |
| 3412 | | err = 1286, |
| 3413 | | description = b'invalid framebuffer operation', |
| 3414 | | baseOperation = glClear, |
| 3415 | | cArguments = (16640,) |
| 3416 | | ) |
| 3417 | | |
| 3418 | | OpenGL.error.GLError: GLError( |
| 3419 | | err = 1286, |
| 3420 | | description = b'invalid framebuffer operation', |
| 3421 | | baseOperation = glClear, |
| 3422 | | cArguments = (16640,) |
| 3423 | | ) |
| 3424 | | |
| 3425 | | File "src/errorchecker.pyx", line 59, in |
| 3426 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3427 | | |
| 3428 | | See log for complete Python traceback. |
| 3429 | | |
| 3430 | | Traceback (most recent call last): |
| 3431 | | File |
| 3432 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3433 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3434 | | self.status(self._last_message, self._last_color) |
| 3435 | | File |
| 3436 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3437 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3438 | | r.draw_background() |
| 3439 | | File |
| 3440 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3441 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3442 | | GL.glClear(flags) |
| 3443 | | File "src/errorchecker.pyx", line 59, in |
| 3444 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3445 | | OpenGL.error.GLError: GLError( |
| 3446 | | err = 1286, |
| 3447 | | description = b'invalid framebuffer operation', |
| 3448 | | baseOperation = glClear, |
| 3449 | | cArguments = (16640,) |
| 3450 | | ) |
| 3451 | | |
| 3452 | | OpenGL.error.GLError: GLError( |
| 3453 | | err = 1286, |
| 3454 | | description = b'invalid framebuffer operation', |
| 3455 | | baseOperation = glClear, |
| 3456 | | cArguments = (16640,) |
| 3457 | | ) |
| 3458 | | |
| 3459 | | File "src/errorchecker.pyx", line 59, in |
| 3460 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3461 | | |
| 3462 | | See log for complete Python traceback. |
| 3463 | | |
| 3464 | | Traceback (most recent call last): |
| 3465 | | File |
| 3466 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3467 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3468 | | self.status(self._last_message, self._last_color) |
| 3469 | | File |
| 3470 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3471 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3472 | | r.draw_background() |
| 3473 | | File |
| 3474 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3475 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3476 | | GL.glClear(flags) |
| 3477 | | File "src/errorchecker.pyx", line 59, in |
| 3478 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3479 | | OpenGL.error.GLError: GLError( |
| 3480 | | err = 1286, |
| 3481 | | description = b'invalid framebuffer operation', |
| 3482 | | baseOperation = glClear, |
| 3483 | | cArguments = (16640,) |
| 3484 | | ) |
| 3485 | | |
| 3486 | | OpenGL.error.GLError: GLError( |
| 3487 | | err = 1286, |
| 3488 | | description = b'invalid framebuffer operation', |
| 3489 | | baseOperation = glClear, |
| 3490 | | cArguments = (16640,) |
| 3491 | | ) |
| 3492 | | |
| 3493 | | File "src/errorchecker.pyx", line 59, in |
| 3494 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3495 | | |
| 3496 | | See log for complete Python traceback. |
| 3497 | | |
| 3498 | | Desktop color scheme is light |
| 3499 | | Traceback (most recent call last): |
| 3500 | | File |
| 3501 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3502 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3503 | | self.status(self._last_message, self._last_color) |
| 3504 | | File |
| 3505 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3506 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3507 | | r.draw_background() |
| 3508 | | File |
| 3509 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3510 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3511 | | GL.glClear(flags) |
| 3512 | | File "src/errorchecker.pyx", line 59, in |
| 3513 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3514 | | OpenGL.error.GLError: GLError( |
| 3515 | | err = 1286, |
| 3516 | | description = b'invalid framebuffer operation', |
| 3517 | | baseOperation = glClear, |
| 3518 | | cArguments = (16640,) |
| 3519 | | ) |
| 3520 | | |
| 3521 | | OpenGL.error.GLError: GLError( |
| 3522 | | err = 1286, |
| 3523 | | description = b'invalid framebuffer operation', |
| 3524 | | baseOperation = glClear, |
| 3525 | | cArguments = (16640,) |
| 3526 | | ) |
| 3527 | | |
| 3528 | | File "src/errorchecker.pyx", line 59, in |
| 3529 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3530 | | |
| 3531 | | See log for complete Python traceback. |
| 3532 | | |
| 3533 | | Traceback (most recent call last): |
| 3534 | | File |
| 3535 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3536 | | packages/chimerax/ui/gui.py", line 873, in customEvent |
| 3537 | | func(*args, **kw) |
| 3538 | | File |
| 3539 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3540 | | packages/chimerax/core/logger.py", line 522, in status |
| 3541 | | StatusLogger.status(self, msg, **kw) |
| 3542 | | File |
| 3543 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3544 | | packages/chimerax/core/logger.py", line 220, in status |
| 3545 | | if l.status(msg, color, secondary) and getattr( |
| 3546 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 3547 | | File |
| 3548 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3549 | | packages/chimerax/ui/gui.py", line 1085, in status |
| 3550 | | sbar.status(msg, color, secondary) |
| 3551 | | File |
| 3552 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3553 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3554 | | r.draw_background() |
| 3555 | | File |
| 3556 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3557 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3558 | | GL.glClear(flags) |
| 3559 | | File "src/errorchecker.pyx", line 59, in |
| 3560 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3561 | | OpenGL.error.GLError: GLError( |
| 3562 | | err = 1286, |
| 3563 | | description = b'invalid framebuffer operation', |
| 3564 | | baseOperation = glClear, |
| 3565 | | cArguments = (16640,) |
| 3566 | | ) |
| 3567 | | |
| 3568 | | OpenGL.error.GLError: GLError( |
| 3569 | | err = 1286, |
| 3570 | | description = b'invalid framebuffer operation', |
| 3571 | | baseOperation = glClear, |
| 3572 | | cArguments = (16640,) |
| 3573 | | ) |
| 3574 | | |
| 3575 | | File "src/errorchecker.pyx", line 59, in |
| 3576 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3577 | | |
| 3578 | | See log for complete Python traceback. |
| 3579 | | |
| 3580 | | Traceback (most recent call last): |
| 3581 | | File |
| 3582 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3583 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3584 | | self.status(self._last_message, self._last_color) |
| 3585 | | File |
| 3586 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3587 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3588 | | r.draw_background() |
| 3589 | | File |
| 3590 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3591 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3592 | | GL.glClear(flags) |
| 3593 | | File "src/errorchecker.pyx", line 59, in |
| 3594 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3595 | | OpenGL.error.GLError: GLError( |
| 3596 | | err = 1286, |
| 3597 | | description = b'invalid framebuffer operation', |
| 3598 | | baseOperation = glClear, |
| 3599 | | cArguments = (16640,) |
| 3600 | | ) |
| 3601 | | |
| 3602 | | OpenGL.error.GLError: GLError( |
| 3603 | | err = 1286, |
| 3604 | | description = b'invalid framebuffer operation', |
| 3605 | | baseOperation = glClear, |
| 3606 | | cArguments = (16640,) |
| 3607 | | ) |
| 3608 | | |
| 3609 | | File "src/errorchecker.pyx", line 59, in |
| 3610 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3611 | | |
| 3612 | | See log for complete Python traceback. |
| 3613 | | |
| 3614 | | Traceback (most recent call last): |
| 3615 | | File |
| 3616 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3617 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3618 | | self.status(self._last_message, self._last_color) |
| 3619 | | File |
| 3620 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3621 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3622 | | r.draw_background() |
| 3623 | | File |
| 3624 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3625 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3626 | | GL.glClear(flags) |
| 3627 | | File "src/errorchecker.pyx", line 59, in |
| 3628 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3629 | | OpenGL.error.GLError: GLError( |
| 3630 | | err = 1286, |
| 3631 | | description = b'invalid framebuffer operation', |
| 3632 | | baseOperation = glClear, |
| 3633 | | cArguments = (16640,) |
| 3634 | | ) |
| 3635 | | |
| 3636 | | OpenGL.error.GLError: GLError( |
| 3637 | | err = 1286, |
| 3638 | | description = b'invalid framebuffer operation', |
| 3639 | | baseOperation = glClear, |
| 3640 | | cArguments = (16640,) |
| 3641 | | ) |
| 3642 | | |
| 3643 | | File "src/errorchecker.pyx", line 59, in |
| 3644 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3645 | | |
| 3646 | | See log for complete Python traceback. |
| 3647 | | |
| 3648 | | Traceback (most recent call last): |
| 3649 | | File |
| 3650 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3651 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3652 | | self.status(self._last_message, self._last_color) |
| 3653 | | File |
| 3654 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3655 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3656 | | r.draw_background() |
| 3657 | | File |
| 3658 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3659 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3660 | | GL.glClear(flags) |
| 3661 | | File "src/errorchecker.pyx", line 59, in |
| 3662 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3663 | | OpenGL.error.GLError: GLError( |
| 3664 | | err = 1286, |
| 3665 | | description = b'invalid framebuffer operation', |
| 3666 | | baseOperation = glClear, |
| 3667 | | cArguments = (16640,) |
| 3668 | | ) |
| 3669 | | |
| 3670 | | OpenGL.error.GLError: GLError( |
| 3671 | | err = 1286, |
| 3672 | | description = b'invalid framebuffer operation', |
| 3673 | | baseOperation = glClear, |
| 3674 | | cArguments = (16640,) |
| 3675 | | ) |
| 3676 | | |
| 3677 | | File "src/errorchecker.pyx", line 59, in |
| 3678 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3679 | | |
| 3680 | | See log for complete Python traceback. |
| 3681 | | |
| 3682 | | Traceback (most recent call last): |
| 3683 | | File |
| 3684 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3685 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3686 | | self.status(self._last_message, self._last_color) |
| 3687 | | File |
| 3688 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3689 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3690 | | r.draw_background() |
| 3691 | | File |
| 3692 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3693 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3694 | | GL.glClear(flags) |
| 3695 | | File "src/errorchecker.pyx", line 59, in |
| 3696 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3697 | | OpenGL.error.GLError: GLError( |
| 3698 | | err = 1286, |
| 3699 | | description = b'invalid framebuffer operation', |
| 3700 | | baseOperation = glClear, |
| 3701 | | cArguments = (16640,) |
| 3702 | | ) |
| 3703 | | |
| 3704 | | OpenGL.error.GLError: GLError( |
| 3705 | | err = 1286, |
| 3706 | | description = b'invalid framebuffer operation', |
| 3707 | | baseOperation = glClear, |
| 3708 | | cArguments = (16640,) |
| 3709 | | ) |
| 3710 | | |
| 3711 | | File "src/errorchecker.pyx", line 59, in |
| 3712 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3713 | | |
| 3714 | | See log for complete Python traceback. |
| 3715 | | |
| 3716 | | Traceback (most recent call last): |
| 3717 | | File |
| 3718 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3719 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3720 | | self.status(self._last_message, self._last_color) |
| 3721 | | File |
| 3722 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3723 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3724 | | r.draw_background() |
| 3725 | | File |
| 3726 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3727 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3728 | | GL.glClear(flags) |
| 3729 | | File "src/errorchecker.pyx", line 59, in |
| 3730 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3731 | | OpenGL.error.GLError: GLError( |
| 3732 | | err = 1286, |
| 3733 | | description = b'invalid framebuffer operation', |
| 3734 | | baseOperation = glClear, |
| 3735 | | cArguments = (16640,) |
| 3736 | | ) |
| 3737 | | |
| 3738 | | OpenGL.error.GLError: GLError( |
| 3739 | | err = 1286, |
| 3740 | | description = b'invalid framebuffer operation', |
| 3741 | | baseOperation = glClear, |
| 3742 | | cArguments = (16640,) |
| 3743 | | ) |
| 3744 | | |
| 3745 | | File "src/errorchecker.pyx", line 59, in |
| 3746 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3747 | | |
| 3748 | | See log for complete Python traceback. |
| 3749 | | |
| 3750 | | Traceback (most recent call last): |
| 3751 | | File |
| 3752 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3753 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3754 | | self.status(self._last_message, self._last_color) |
| 3755 | | File |
| 3756 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3757 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3758 | | r.draw_background() |
| 3759 | | File |
| 3760 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3761 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3762 | | GL.glClear(flags) |
| 3763 | | File "src/errorchecker.pyx", line 59, in |
| 3764 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3765 | | OpenGL.error.GLError: GLError( |
| 3766 | | err = 1286, |
| 3767 | | description = b'invalid framebuffer operation', |
| 3768 | | baseOperation = glClear, |
| 3769 | | cArguments = (16640,) |
| 3770 | | ) |
| 3771 | | |
| 3772 | | OpenGL.error.GLError: GLError( |
| 3773 | | err = 1286, |
| 3774 | | description = b'invalid framebuffer operation', |
| 3775 | | baseOperation = glClear, |
| 3776 | | cArguments = (16640,) |
| 3777 | | ) |
| 3778 | | |
| 3779 | | File "src/errorchecker.pyx", line 59, in |
| 3780 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3781 | | |
| 3782 | | See log for complete Python traceback. |
| 3783 | | |
| 3784 | | Traceback (most recent call last): |
| 3785 | | File |
| 3786 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3787 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3788 | | self.status(self._last_message, self._last_color) |
| 3789 | | File |
| 3790 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3791 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3792 | | r.draw_background() |
| 3793 | | File |
| 3794 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3795 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3796 | | GL.glClear(flags) |
| 3797 | | File "src/errorchecker.pyx", line 59, in |
| 3798 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3799 | | OpenGL.error.GLError: GLError( |
| 3800 | | err = 1286, |
| 3801 | | description = b'invalid framebuffer operation', |
| 3802 | | baseOperation = glClear, |
| 3803 | | cArguments = (16640,) |
| 3804 | | ) |
| 3805 | | |
| 3806 | | OpenGL.error.GLError: GLError( |
| 3807 | | err = 1286, |
| 3808 | | description = b'invalid framebuffer operation', |
| 3809 | | baseOperation = glClear, |
| 3810 | | cArguments = (16640,) |
| 3811 | | ) |
| 3812 | | |
| 3813 | | File "src/errorchecker.pyx", line 59, in |
| 3814 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3815 | | |
| 3816 | | See log for complete Python traceback. |
| 3817 | | |
| 3818 | | Traceback (most recent call last): |
| 3819 | | File |
| 3820 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3821 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3822 | | self.status(self._last_message, self._last_color) |
| 3823 | | File |
| 3824 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3825 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3826 | | r.draw_background() |
| 3827 | | File |
| 3828 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3829 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3830 | | GL.glClear(flags) |
| 3831 | | File "src/errorchecker.pyx", line 59, in |
| 3832 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3833 | | OpenGL.error.GLError: GLError( |
| 3834 | | err = 1286, |
| 3835 | | description = b'invalid framebuffer operation', |
| 3836 | | baseOperation = glClear, |
| 3837 | | cArguments = (16640,) |
| 3838 | | ) |
| 3839 | | |
| 3840 | | OpenGL.error.GLError: GLError( |
| 3841 | | err = 1286, |
| 3842 | | description = b'invalid framebuffer operation', |
| 3843 | | baseOperation = glClear, |
| 3844 | | cArguments = (16640,) |
| 3845 | | ) |
| 3846 | | |
| 3847 | | File "src/errorchecker.pyx", line 59, in |
| 3848 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3849 | | |
| 3850 | | See log for complete Python traceback. |
| 3851 | | |
| 3852 | | Traceback (most recent call last): |
| 3853 | | File |
| 3854 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3855 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3856 | | self.status(self._last_message, self._last_color) |
| 3857 | | File |
| 3858 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3859 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3860 | | r.draw_background() |
| 3861 | | File |
| 3862 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3863 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3864 | | GL.glClear(flags) |
| 3865 | | File "src/errorchecker.pyx", line 59, in |
| 3866 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3867 | | OpenGL.error.GLError: GLError( |
| 3868 | | err = 1286, |
| 3869 | | description = b'invalid framebuffer operation', |
| 3870 | | baseOperation = glClear, |
| 3871 | | cArguments = (16640,) |
| 3872 | | ) |
| 3873 | | |
| 3874 | | OpenGL.error.GLError: GLError( |
| 3875 | | err = 1286, |
| 3876 | | description = b'invalid framebuffer operation', |
| 3877 | | baseOperation = glClear, |
| 3878 | | cArguments = (16640,) |
| 3879 | | ) |
| 3880 | | |
| 3881 | | File "src/errorchecker.pyx", line 59, in |
| 3882 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3883 | | |
| 3884 | | See log for complete Python traceback. |
| 3885 | | |
| 3886 | | Traceback (most recent call last): |
| 3887 | | File |
| 3888 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3889 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3890 | | self.status(self._last_message, self._last_color) |
| 3891 | | File |
| 3892 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3893 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3894 | | r.draw_background() |
| 3895 | | File |
| 3896 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3897 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3898 | | GL.glClear(flags) |
| 3899 | | File "src/errorchecker.pyx", line 59, in |
| 3900 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3901 | | OpenGL.error.GLError: GLError( |
| 3902 | | err = 1286, |
| 3903 | | description = b'invalid framebuffer operation', |
| 3904 | | baseOperation = glClear, |
| 3905 | | cArguments = (16640,) |
| 3906 | | ) |
| 3907 | | |
| 3908 | | OpenGL.error.GLError: GLError( |
| 3909 | | err = 1286, |
| 3910 | | description = b'invalid framebuffer operation', |
| 3911 | | baseOperation = glClear, |
| 3912 | | cArguments = (16640,) |
| 3913 | | ) |
| 3914 | | |
| 3915 | | File "src/errorchecker.pyx", line 59, in |
| 3916 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3917 | | |
| 3918 | | See log for complete Python traceback. |
| 3919 | | |
| 3920 | | Traceback (most recent call last): |
| 3921 | | File |
| 3922 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3923 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3924 | | self.status(self._last_message, self._last_color) |
| 3925 | | File |
| 3926 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3927 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3928 | | r.draw_background() |
| 3929 | | File |
| 3930 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3931 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3932 | | GL.glClear(flags) |
| 3933 | | File "src/errorchecker.pyx", line 59, in |
| 3934 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3935 | | OpenGL.error.GLError: GLError( |
| 3936 | | err = 1286, |
| 3937 | | description = b'invalid framebuffer operation', |
| 3938 | | baseOperation = glClear, |
| 3939 | | cArguments = (16640,) |
| 3940 | | ) |
| 3941 | | |
| 3942 | | OpenGL.error.GLError: GLError( |
| 3943 | | err = 1286, |
| 3944 | | description = b'invalid framebuffer operation', |
| 3945 | | baseOperation = glClear, |
| 3946 | | cArguments = (16640,) |
| 3947 | | ) |
| 3948 | | |
| 3949 | | File "src/errorchecker.pyx", line 59, in |
| 3950 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3951 | | |
| 3952 | | See log for complete Python traceback. |
| 3953 | | |
| 3954 | | Traceback (most recent call last): |
| 3955 | | File |
| 3956 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3957 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3958 | | self.status(self._last_message, self._last_color) |
| 3959 | | File |
| 3960 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3961 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3962 | | r.draw_background() |
| 3963 | | File |
| 3964 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3965 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 3966 | | GL.glClear(flags) |
| 3967 | | File "src/errorchecker.pyx", line 59, in |
| 3968 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3969 | | OpenGL.error.GLError: GLError( |
| 3970 | | err = 1286, |
| 3971 | | description = b'invalid framebuffer operation', |
| 3972 | | baseOperation = glClear, |
| 3973 | | cArguments = (16640,) |
| 3974 | | ) |
| 3975 | | |
| 3976 | | OpenGL.error.GLError: GLError( |
| 3977 | | err = 1286, |
| 3978 | | description = b'invalid framebuffer operation', |
| 3979 | | baseOperation = glClear, |
| 3980 | | cArguments = (16640,) |
| 3981 | | ) |
| 3982 | | |
| 3983 | | File "src/errorchecker.pyx", line 59, in |
| 3984 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 3985 | | |
| 3986 | | See log for complete Python traceback. |
| 3987 | | |
| 3988 | | Traceback (most recent call last): |
| 3989 | | File |
| 3990 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3991 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 3992 | | self.status(self._last_message, self._last_color) |
| 3993 | | File |
| 3994 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3995 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 3996 | | r.draw_background() |
| 3997 | | File |
| 3998 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 3999 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 4000 | | GL.glClear(flags) |
| 4001 | | File "src/errorchecker.pyx", line 59, in |
| 4002 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4003 | | OpenGL.error.GLError: GLError( |
| 4004 | | err = 1286, |
| 4005 | | description = b'invalid framebuffer operation', |
| 4006 | | baseOperation = glClear, |
| 4007 | | cArguments = (16640,) |
| 4008 | | ) |
| 4009 | | |
| 4010 | | OpenGL.error.GLError: GLError( |
| 4011 | | err = 1286, |
| 4012 | | description = b'invalid framebuffer operation', |
| 4013 | | baseOperation = glClear, |
| 4014 | | cArguments = (16640,) |
| 4015 | | ) |
| 4016 | | |
| 4017 | | File "src/errorchecker.pyx", line 59, in |
| 4018 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4019 | | |
| 4020 | | See log for complete Python traceback. |
| 4021 | | |
| 4022 | | Traceback (most recent call last): |
| 4023 | | File |
| 4024 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4025 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 4026 | | self.status(self._last_message, self._last_color) |
| 4027 | | File |
| 4028 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4029 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 4030 | | r.draw_background() |
| 4031 | | File |
| 4032 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4033 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 4034 | | GL.glClear(flags) |
| 4035 | | File "src/errorchecker.pyx", line 59, in |
| 4036 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4037 | | OpenGL.error.GLError: GLError( |
| 4038 | | err = 1286, |
| 4039 | | description = b'invalid framebuffer operation', |
| 4040 | | baseOperation = glClear, |
| 4041 | | cArguments = (16640,) |
| 4042 | | ) |
| 4043 | | |
| 4044 | | OpenGL.error.GLError: GLError( |
| 4045 | | err = 1286, |
| 4046 | | description = b'invalid framebuffer operation', |
| 4047 | | baseOperation = glClear, |
| 4048 | | cArguments = (16640,) |
| 4049 | | ) |
| 4050 | | |
| 4051 | | File "src/errorchecker.pyx", line 59, in |
| 4052 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4053 | | |
| 4054 | | See log for complete Python traceback. |
| 4055 | | |
| 4056 | | Traceback (most recent call last): |
| 4057 | | File |
| 4058 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4059 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 4060 | | self.status(self._last_message, self._last_color) |
| 4061 | | File |
| 4062 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4063 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 4064 | | r.draw_background() |
| 4065 | | File |
| 4066 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4067 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 4068 | | GL.glClear(flags) |
| 4069 | | File "src/errorchecker.pyx", line 59, in |
| 4070 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4071 | | OpenGL.error.GLError: GLError( |
| 4072 | | err = 1286, |
| 4073 | | description = b'invalid framebuffer operation', |
| 4074 | | baseOperation = glClear, |
| 4075 | | cArguments = (16640,) |
| 4076 | | ) |
| 4077 | | |
| 4078 | | OpenGL.error.GLError: GLError( |
| 4079 | | err = 1286, |
| 4080 | | description = b'invalid framebuffer operation', |
| 4081 | | baseOperation = glClear, |
| 4082 | | cArguments = (16640,) |
| 4083 | | ) |
| 4084 | | |
| 4085 | | File "src/errorchecker.pyx", line 59, in |
| 4086 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4087 | | |
| 4088 | | See log for complete Python traceback. |
| 4089 | | |
| 4090 | | Traceback (most recent call last): |
| 4091 | | File |
| 4092 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4093 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 4094 | | self.status(self._last_message, self._last_color) |
| 4095 | | File |
| 4096 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4097 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 4098 | | r.draw_background() |
| 4099 | | File |
| 4100 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4101 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 4102 | | GL.glClear(flags) |
| 4103 | | File "src/errorchecker.pyx", line 59, in |
| 4104 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4105 | | OpenGL.error.GLError: GLError( |
| 4106 | | err = 1286, |
| 4107 | | description = b'invalid framebuffer operation', |
| 4108 | | baseOperation = glClear, |
| 4109 | | cArguments = (16640,) |
| 4110 | | ) |
| 4111 | | |
| 4112 | | OpenGL.error.GLError: GLError( |
| 4113 | | err = 1286, |
| 4114 | | description = b'invalid framebuffer operation', |
| 4115 | | baseOperation = glClear, |
| 4116 | | cArguments = (16640,) |
| 4117 | | ) |
| 4118 | | |
| 4119 | | File "src/errorchecker.pyx", line 59, in |
| 4120 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4121 | | |
| 4122 | | See log for complete Python traceback. |
| 4123 | | |
| 4124 | | Traceback (most recent call last): |
| 4125 | | File |
| 4126 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4127 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 4128 | | self.status(self._last_message, self._last_color) |
| 4129 | | File |
| 4130 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4131 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 4132 | | r.draw_background() |
| 4133 | | File |
| 4134 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4135 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 4136 | | GL.glClear(flags) |
| 4137 | | File "src/errorchecker.pyx", line 59, in |
| 4138 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4139 | | OpenGL.error.GLError: GLError( |
| 4140 | | err = 1286, |
| 4141 | | description = b'invalid framebuffer operation', |
| 4142 | | baseOperation = glClear, |
| 4143 | | cArguments = (16640,) |
| 4144 | | ) |
| 4145 | | |
| 4146 | | OpenGL.error.GLError: GLError( |
| 4147 | | err = 1286, |
| 4148 | | description = b'invalid framebuffer operation', |
| 4149 | | baseOperation = glClear, |
| 4150 | | cArguments = (16640,) |
| 4151 | | ) |
| 4152 | | |
| 4153 | | File "src/errorchecker.pyx", line 59, in |
| 4154 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4155 | | |
| 4156 | | See log for complete Python traceback. |
| 4157 | | |
| 4158 | | Traceback (most recent call last): |
| 4159 | | File |
| 4160 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4161 | | packages/chimerax/ui/statusbar.py", line 98, in _expose_event |
| 4162 | | self.status(self._last_message, self._last_color) |
| 4163 | | File |
| 4164 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4165 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 4166 | | r.draw_background() |
| 4167 | | File |
| 4168 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4169 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 4170 | | GL.glClear(flags) |
| 4171 | | File "src/errorchecker.pyx", line 59, in |
| 4172 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4173 | | OpenGL.error.GLError: GLError( |
| 4174 | | err = 1286, |
| 4175 | | description = b'invalid framebuffer operation', |
| 4176 | | baseOperation = glClear, |
| 4177 | | cArguments = (16640,) |
| 4178 | | ) |
| 4179 | | |
| 4180 | | OpenGL.error.GLError: GLError( |
| 4181 | | err = 1286, |
| 4182 | | description = b'invalid framebuffer operation', |
| 4183 | | baseOperation = glClear, |
| 4184 | | cArguments = (16640,) |
| 4185 | | ) |
| 4186 | | |
| 4187 | | File "src/errorchecker.pyx", line 59, in |
| 4188 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4189 | | |
| 4190 | | See log for complete Python traceback. |
| 4191 | | |
| 4192 | | |
| 4193 | | > hide #!1 models |
| 4194 | | |
| 4195 | | > hide #4 models |
| 4196 | | |
| 4197 | | > hide #6 models |
| 4198 | | |
| 4199 | | > hide #7 models |
| 4200 | | |
| 4201 | | > show #6 models |
| 4202 | | |
| 4203 | | > hide #6 models |
| 4204 | | |
| 4205 | | > select clear |
| 4206 | | |
| 4207 | | Traceback (most recent call last): |
| 4208 | | File |
| 4209 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4210 | | packages/chimerax/mouse_modes/mousemodes.py", line 656, in <lambda> |
| 4211 | | gw.mouseReleaseEvent = lambda e, s=self: s._dispatch_mouse_event(e, |
| 4212 | | "mouse_up") |
| 4213 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4214 | | File |
| 4215 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4216 | | packages/chimerax/mouse_modes/mousemodes.py", line 556, in |
| 4217 | | _dispatch_mouse_event |
| 4218 | | f(MouseEvent(event, modifiers=modifiers)) |
| 4219 | | File |
| 4220 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4221 | | packages/chimerax/mouse_modes/std_modes.py", line 70, in mouse_up |
| 4222 | | mouse_select(event, mode, self.session, self.view) |
| 4223 | | File |
| 4224 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4225 | | packages/chimerax/mouse_modes/std_modes.py", line 210, in mouse_select |
| 4226 | | select_pick(session, pick, mode) |
| 4227 | | File |
| 4228 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4229 | | packages/chimerax/mouse_modes/std_modes.py", line 227, in select_pick |
| 4230 | | session.logger.status('cleared selection') |
| 4231 | | File |
| 4232 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4233 | | packages/chimerax/core/logger.py", line 522, in status |
| 4234 | | StatusLogger.status(self, msg, **kw) |
| 4235 | | File |
| 4236 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4237 | | packages/chimerax/core/logger.py", line 220, in status |
| 4238 | | if l.status(msg, color, secondary) and getattr( |
| 4239 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4240 | | File |
| 4241 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4242 | | packages/chimerax/ui/gui.py", line 1085, in status |
| 4243 | | sbar.status(msg, color, secondary) |
| 4244 | | File |
| 4245 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4246 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 4247 | | r.draw_background() |
| 4248 | | File |
| 4249 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4250 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 4251 | | GL.glClear(flags) |
| 4252 | | File "src/errorchecker.pyx", line 59, in |
| 4253 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4254 | | OpenGL.error.GLError: GLError( |
| 4255 | | err = 1286, |
| 4256 | | description = b'invalid framebuffer operation', |
| 4257 | | baseOperation = glClear, |
| 4258 | | cArguments = (16640,) |
| 4259 | | ) |
| 4260 | | |
| 4261 | | OpenGL.error.GLError: GLError( |
| 4262 | | err = 1286, |
| 4263 | | description = b'invalid framebuffer operation', |
| 4264 | | baseOperation = glClear, |
| 4265 | | cArguments = (16640,) |
| 4266 | | ) |
| 4267 | | |
| 4268 | | File "src/errorchecker.pyx", line 59, in |
| 4269 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4270 | | |
| 4271 | | See log for complete Python traceback. |
| 4272 | | |
| 4273 | | |
| 4274 | | > select #5/H:39 |
| 4275 | | |
| 4276 | | 17 atoms, 16 bonds, 1 residue, 1 model selected |
| 4277 | | Traceback (most recent call last): |
| 4278 | | File |
| 4279 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4280 | | packages/chimerax/mouse_modes/mousemodes.py", line 656, in <lambda> |
| 4281 | | gw.mouseReleaseEvent = lambda e, s=self: s._dispatch_mouse_event(e, |
| 4282 | | "mouse_up") |
| 4283 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4284 | | File |
| 4285 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4286 | | packages/chimerax/mouse_modes/mousemodes.py", line 556, in |
| 4287 | | _dispatch_mouse_event |
| 4288 | | f(MouseEvent(event, modifiers=modifiers)) |
| 4289 | | File |
| 4290 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4291 | | packages/chimerax/mouse_modes/std_modes.py", line 70, in mouse_up |
| 4292 | | mouse_select(event, mode, self.session, self.view) |
| 4293 | | File |
| 4294 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4295 | | packages/chimerax/mouse_modes/std_modes.py", line 210, in mouse_select |
| 4296 | | select_pick(session, pick, mode) |
| 4297 | | File |
| 4298 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4299 | | packages/chimerax/mouse_modes/std_modes.py", line 241, in select_pick |
| 4300 | | run(session, 'select %s' % spec) |
| 4301 | | File |
| 4302 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4303 | | packages/chimerax/core/commands/run.py", line 49, in run |
| 4304 | | results = command.run(text, log=log, return_json=return_json) |
| 4305 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4306 | | File |
| 4307 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4308 | | packages/chimerax/core/commands/cli.py", line 3221, in run |
| 4309 | | result = ci.function(session, **kw_args) |
| 4310 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4311 | | File |
| 4312 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4313 | | packages/chimerax/std_commands/select.py", line 62, in select |
| 4314 | | report_selection(session) |
| 4315 | | File |
| 4316 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4317 | | packages/chimerax/std_commands/select.py", line 192, in report_selection |
| 4318 | | session.logger.status(', '.join(lines) + ' selected', log = True) |
| 4319 | | File |
| 4320 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4321 | | packages/chimerax/core/logger.py", line 522, in status |
| 4322 | | StatusLogger.status(self, msg, **kw) |
| 4323 | | File |
| 4324 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4325 | | packages/chimerax/core/logger.py", line 220, in status |
| 4326 | | if l.status(msg, color, secondary) and getattr( |
| 4327 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4328 | | File |
| 4329 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4330 | | packages/chimerax/ui/gui.py", line 1085, in status |
| 4331 | | sbar.status(msg, color, secondary) |
| 4332 | | File |
| 4333 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4334 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 4335 | | r.draw_background() |
| 4336 | | File |
| 4337 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4338 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 4339 | | GL.glClear(flags) |
| 4340 | | File "src/errorchecker.pyx", line 59, in |
| 4341 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4342 | | OpenGL.error.GLError: GLError( |
| 4343 | | err = 1286, |
| 4344 | | description = b'invalid framebuffer operation', |
| 4345 | | baseOperation = glClear, |
| 4346 | | cArguments = (16640,) |
| 4347 | | ) |
| 4348 | | |
| 4349 | | OpenGL.error.GLError: GLError( |
| 4350 | | err = 1286, |
| 4351 | | description = b'invalid framebuffer operation', |
| 4352 | | baseOperation = glClear, |
| 4353 | | cArguments = (16640,) |
| 4354 | | ) |
| 4355 | | |
| 4356 | | File "src/errorchecker.pyx", line 59, in |
| 4357 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4358 | | |
| 4359 | | See log for complete Python traceback. |
| 4360 | | |
| 4361 | | |
| 4362 | | > select add #5/G:93 |
| 4363 | | |
| 4364 | | 33 atoms, 31 bonds, 2 residues, 1 model selected |
| 4365 | | Traceback (most recent call last): |
| 4366 | | File |
| 4367 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4368 | | packages/chimerax/mouse_modes/mousemodes.py", line 656, in <lambda> |
| 4369 | | gw.mouseReleaseEvent = lambda e, s=self: s._dispatch_mouse_event(e, |
| 4370 | | "mouse_up") |
| 4371 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4372 | | File |
| 4373 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4374 | | packages/chimerax/mouse_modes/mousemodes.py", line 556, in |
| 4375 | | _dispatch_mouse_event |
| 4376 | | f(MouseEvent(event, modifiers=modifiers)) |
| 4377 | | File |
| 4378 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4379 | | packages/chimerax/mouse_modes/std_modes.py", line 70, in mouse_up |
| 4380 | | mouse_select(event, mode, self.session, self.view) |
| 4381 | | File |
| 4382 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4383 | | packages/chimerax/mouse_modes/std_modes.py", line 210, in mouse_select |
| 4384 | | select_pick(session, pick, mode) |
| 4385 | | File |
| 4386 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4387 | | packages/chimerax/mouse_modes/std_modes.py", line 245, in select_pick |
| 4388 | | run(session, 'select %s %s' % (operation, spec)) |
| 4389 | | File |
| 4390 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4391 | | packages/chimerax/core/commands/run.py", line 49, in run |
| 4392 | | results = command.run(text, log=log, return_json=return_json) |
| 4393 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4394 | | File |
| 4395 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4396 | | packages/chimerax/core/commands/cli.py", line 3221, in run |
| 4397 | | result = ci.function(session, **kw_args) |
| 4398 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4399 | | File |
| 4400 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4401 | | packages/chimerax/std_commands/select.py", line 120, in select_add |
| 4402 | | report_selection(session) |
| 4403 | | File |
| 4404 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4405 | | packages/chimerax/std_commands/select.py", line 192, in report_selection |
| 4406 | | session.logger.status(', '.join(lines) + ' selected', log = True) |
| 4407 | | File |
| 4408 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4409 | | packages/chimerax/core/logger.py", line 522, in status |
| 4410 | | StatusLogger.status(self, msg, **kw) |
| 4411 | | File |
| 4412 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4413 | | packages/chimerax/core/logger.py", line 220, in status |
| 4414 | | if l.status(msg, color, secondary) and getattr( |
| 4415 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4416 | | File |
| 4417 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4418 | | packages/chimerax/ui/gui.py", line 1085, in status |
| 4419 | | sbar.status(msg, color, secondary) |
| 4420 | | File |
| 4421 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4422 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 4423 | | r.draw_background() |
| 4424 | | File |
| 4425 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4426 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 4427 | | GL.glClear(flags) |
| 4428 | | File "src/errorchecker.pyx", line 59, in |
| 4429 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4430 | | OpenGL.error.GLError: GLError( |
| 4431 | | err = 1286, |
| 4432 | | description = b'invalid framebuffer operation', |
| 4433 | | baseOperation = glClear, |
| 4434 | | cArguments = (16640,) |
| 4435 | | ) |
| 4436 | | |
| 4437 | | OpenGL.error.GLError: GLError( |
| 4438 | | err = 1286, |
| 4439 | | description = b'invalid framebuffer operation', |
| 4440 | | baseOperation = glClear, |
| 4441 | | cArguments = (16640,) |
| 4442 | | ) |
| 4443 | | |
| 4444 | | File "src/errorchecker.pyx", line 59, in |
| 4445 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4446 | | |
| 4447 | | See log for complete Python traceback. |
| 4448 | | |
| 4449 | | |
| 4450 | | > select up |
| 4451 | | |
| 4452 | | 218 atoms, 221 bonds, 13 residues, 1 model selected |
| 4453 | | Traceback (most recent call last): |
| 4454 | | File |
| 4455 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4456 | | packages/chimerax/ui/gui.py", line 393, in forward_keystroke |
| 4457 | | run(self.session, 'select up') |
| 4458 | | File |
| 4459 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4460 | | packages/chimerax/core/commands/run.py", line 49, in run |
| 4461 | | results = command.run(text, log=log, return_json=return_json) |
| 4462 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4463 | | File |
| 4464 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4465 | | packages/chimerax/core/commands/cli.py", line 3221, in run |
| 4466 | | result = ci.function(session, **kw_args) |
| 4467 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4468 | | File |
| 4469 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4470 | | packages/chimerax/std_commands/select.py", line 145, in select_up |
| 4471 | | report_selection(session) |
| 4472 | | File |
| 4473 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4474 | | packages/chimerax/std_commands/select.py", line 192, in report_selection |
| 4475 | | session.logger.status(', '.join(lines) + ' selected', log = True) |
| 4476 | | File |
| 4477 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4478 | | packages/chimerax/core/logger.py", line 522, in status |
| 4479 | | StatusLogger.status(self, msg, **kw) |
| 4480 | | File |
| 4481 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4482 | | packages/chimerax/core/logger.py", line 220, in status |
| 4483 | | if l.status(msg, color, secondary) and getattr( |
| 4484 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4485 | | File |
| 4486 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4487 | | packages/chimerax/ui/gui.py", line 1085, in status |
| 4488 | | sbar.status(msg, color, secondary) |
| 4489 | | File |
| 4490 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4491 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 4492 | | r.draw_background() |
| 4493 | | File |
| 4494 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4495 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 4496 | | GL.glClear(flags) |
| 4497 | | File "src/errorchecker.pyx", line 59, in |
| 4498 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4499 | | OpenGL.error.GLError: GLError( |
| 4500 | | err = 1286, |
| 4501 | | description = b'invalid framebuffer operation', |
| 4502 | | baseOperation = glClear, |
| 4503 | | cArguments = (16640,) |
| 4504 | | ) |
| 4505 | | |
| 4506 | | OpenGL.error.GLError: GLError( |
| 4507 | | err = 1286, |
| 4508 | | description = b'invalid framebuffer operation', |
| 4509 | | baseOperation = glClear, |
| 4510 | | cArguments = (16640,) |
| 4511 | | ) |
| 4512 | | |
| 4513 | | File "src/errorchecker.pyx", line 59, in |
| 4514 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4515 | | |
| 4516 | | See log for complete Python traceback. |
| 4517 | | |
| 4518 | | |
| 4519 | | > select up |
| 4520 | | |
| 4521 | | 3494 atoms, 3537 bonds, 236 residues, 1 model selected |
| 4522 | | Traceback (most recent call last): |
| 4523 | | File |
| 4524 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4525 | | packages/chimerax/ui/gui.py", line 393, in forward_keystroke |
| 4526 | | run(self.session, 'select up') |
| 4527 | | File |
| 4528 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4529 | | packages/chimerax/core/commands/run.py", line 49, in run |
| 4530 | | results = command.run(text, log=log, return_json=return_json) |
| 4531 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4532 | | File |
| 4533 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4534 | | packages/chimerax/core/commands/cli.py", line 3221, in run |
| 4535 | | result = ci.function(session, **kw_args) |
| 4536 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4537 | | File |
| 4538 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4539 | | packages/chimerax/std_commands/select.py", line 145, in select_up |
| 4540 | | report_selection(session) |
| 4541 | | File |
| 4542 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4543 | | packages/chimerax/std_commands/select.py", line 192, in report_selection |
| 4544 | | session.logger.status(', '.join(lines) + ' selected', log = True) |
| 4545 | | File |
| 4546 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4547 | | packages/chimerax/core/logger.py", line 522, in status |
| 4548 | | StatusLogger.status(self, msg, **kw) |
| 4549 | | File |
| 4550 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4551 | | packages/chimerax/core/logger.py", line 220, in status |
| 4552 | | if l.status(msg, color, secondary) and getattr( |
| 4553 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4554 | | File |
| 4555 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4556 | | packages/chimerax/ui/gui.py", line 1085, in status |
| 4557 | | sbar.status(msg, color, secondary) |
| 4558 | | File |
| 4559 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4560 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 4561 | | r.draw_background() |
| 4562 | | File |
| 4563 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4564 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 4565 | | GL.glClear(flags) |
| 4566 | | File "src/errorchecker.pyx", line 59, in |
| 4567 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4568 | | OpenGL.error.GLError: GLError( |
| 4569 | | err = 1286, |
| 4570 | | description = b'invalid framebuffer operation', |
| 4571 | | baseOperation = glClear, |
| 4572 | | cArguments = (16640,) |
| 4573 | | ) |
| 4574 | | |
| 4575 | | OpenGL.error.GLError: GLError( |
| 4576 | | err = 1286, |
| 4577 | | description = b'invalid framebuffer operation', |
| 4578 | | baseOperation = glClear, |
| 4579 | | cArguments = (16640,) |
| 4580 | | ) |
| 4581 | | |
| 4582 | | File "src/errorchecker.pyx", line 59, in |
| 4583 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4584 | | |
| 4585 | | See log for complete Python traceback. |
| 4586 | | |
| 4587 | | |
| 4588 | | > show #6 models |
| 4589 | | |
| 4590 | | > show #7 models |
| 4591 | | |
| 4592 | | > show #4 models |
| 4593 | | |
| 4594 | | > ui tool show Matchmaker |
| 4595 | | |
| 4596 | | [Repeated 1 time(s)] |
| 4597 | | |
| 4598 | | > matchmaker #4,6-7 to #5 & sel |
| 4599 | | |
| 4600 | | Parameters |
| 4601 | | --- |
| 4602 | | Chain pairing | bb |
| 4603 | | Alignment algorithm | Needleman-Wunsch |
| 4604 | | Similarity matrix | BLOSUM-62 |
| 4605 | | SS fraction | 0.3 |
| 4606 | | Gap open (HH/SS/other) | 18/18/6 |
| 4607 | | Gap extend | 1 |
| 4608 | | SS matrix | | | H | S | O |
| 4609 | | ---|---|---|--- |
| 4610 | | H | 6 | -9 | -6 |
| 4611 | | S | | 6 | -6 |
| 4612 | | O | | | 4 |
| 4613 | | Iteration cutoff | 2 |
| 4614 | | |
| 4615 | | Matchmaker design_start.pdb, chain G (#5) with Cluster2c_lib1.pdb, chain G |
| 4616 | | (#4), sequence alignment score = 665.8 |
| 4617 | | Traceback (most recent call last): |
| 4618 | | File |
| 4619 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4620 | | packages/chimerax/match_maker/tool.py", line 175, in <lambda> |
| 4621 | | bbox.button(qbbox.Apply).clicked.connect(lambda *args: |
| 4622 | | self.run_matchmaker(apply=True)) |
| 4623 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4624 | | File |
| 4625 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4626 | | packages/chimerax/match_maker/tool.py", line 312, in run_matchmaker |
| 4627 | | run(self.session, cmd) |
| 4628 | | File |
| 4629 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4630 | | packages/chimerax/core/commands/run.py", line 49, in run |
| 4631 | | results = command.run(text, log=log, return_json=return_json) |
| 4632 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4633 | | File |
| 4634 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4635 | | packages/chimerax/core/commands/cli.py", line 3221, in run |
| 4636 | | result = ci.function(session, **kw_args) |
| 4637 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4638 | | File |
| 4639 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4640 | | packages/chimerax/match_maker/match.py", line 777, in cmd_match |
| 4641 | | ret_vals = match(session, pairing, match_items, matrix, alg, gap_open, |
| 4642 | | gap_extend, |
| 4643 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4644 | | File |
| 4645 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4646 | | packages/chimerax/match_maker/match.py", line 552, in match |
| 4647 | | logger.status("Matchmaker %s (#%s) with %s (#%s)," |
| 4648 | | File |
| 4649 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4650 | | packages/chimerax/core/logger.py", line 522, in status |
| 4651 | | StatusLogger.status(self, msg, **kw) |
| 4652 | | File |
| 4653 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4654 | | packages/chimerax/core/logger.py", line 220, in status |
| 4655 | | if l.status(msg, color, secondary) and getattr( |
| 4656 | | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
| 4657 | | File |
| 4658 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4659 | | packages/chimerax/ui/gui.py", line 1085, in status |
| 4660 | | sbar.status(msg, color, secondary) |
| 4661 | | File |
| 4662 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4663 | | packages/chimerax/ui/statusbar.py", line 164, in status |
| 4664 | | r.draw_background() |
| 4665 | | File |
| 4666 | | "/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- |
| 4667 | | packages/chimerax/graphics/opengl.py", line 1238, in draw_background |
| 4668 | | GL.glClear(flags) |
| 4669 | | File "src/errorchecker.pyx", line 59, in |
| 4670 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4671 | | OpenGL.error.GLError: GLError( |
| 4672 | | err = 1286, |
| 4673 | | description = b'invalid framebuffer operation', |
| 4674 | | baseOperation = glClear, |
| 4675 | | cArguments = (16640,) |
| 4676 | | ) |
| 4677 | | |
| 4678 | | OpenGL.error.GLError: GLError( |
| 4679 | | err = 1286, |
| 4680 | | description = b'invalid framebuffer operation', |
| 4681 | | baseOperation = glClear, |
| 4682 | | cArguments = (16640,) |
| 4683 | | ) |
| 4684 | | |
| 4685 | | File "src/errorchecker.pyx", line 59, in |
| 4686 | | OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError |
| 4687 | | |
| 4688 | | See log for complete Python traceback. |
| 4689 | | |
| 4690 | | |
| 4691 | | > save /Users/oswanson/Desktop/Primocalins/Structures/initial_models.cxs |
| 4692 | | |
| 4693 | | ——— End of log from Fri Oct 31 13:49:15 2025 ——— |
| 4694 | | |
| 4695 | | > view name session-start |
| 4696 | | |
| 4697 | | opened ChimeraX session |
| 4698 | | |
| 4699 | | > ui tool show Matchmaker |
| 4700 | | |
| 4701 | | > matchmaker #4,6-7 to #5 & sel |
| 4702 | | |
| 4703 | | Parameters |
| 4704 | | --- |
| 4705 | | Chain pairing | bb |
| 4706 | | Alignment algorithm | Needleman-Wunsch |
| 4707 | | Similarity matrix | BLOSUM-62 |
| 4708 | | SS fraction | 0.3 |
| 4709 | | Gap open (HH/SS/other) | 18/18/6 |
| 4710 | | Gap extend | 1 |
| 4711 | | SS matrix | | | H | S | O |
| 4712 | | ---|---|---|--- |
| 4713 | | H | 6 | -9 | -6 |
| 4714 | | S | | 6 | -6 |
| 4715 | | O | | | 4 |
| 4716 | | Iteration cutoff | 2 |
| 4717 | | |
| 4718 | | Matchmaker design_start.pdb, chain G (#5) with Cluster2c_lib1.pdb, chain G |
| 4719 | | (#4), sequence alignment score = 665.8 |
| 4720 | | RMSD between 126 pruned atom pairs is 0.098 angstroms; (across all 126 pairs: |
| 4721 | | 0.098) |
| 4722 | | |
| 4723 | | Matchmaker design_start.pdb, chain G (#5) with RMSD4_NNK1.pdb, chain G (#6), |
| 4724 | | sequence alignment score = 665.8 |
| 4725 | | RMSD between 126 pruned atom pairs is 0.168 angstroms; (across all 126 pairs: |
| 4726 | | 0.168) |
| 4727 | | |
| 4728 | | Matchmaker design_start.pdb, chain G (#5) with RMSD6_NNK1.pdb, chain G (#7), |
| 4729 | | sequence alignment score = 665.8 |
| 4730 | | RMSD between 126 pruned atom pairs is 0.200 angstroms; (across all 126 pairs: |
| 4731 | | 0.200) |
| 4732 | | |
| 4733 | | |
| 4734 | | > select clear |
| 4735 | | |
| 4736 | | > hide #5 models |
| 4737 | | |
| 4738 | | > hide #4 models |
| 4739 | | |
| 4740 | | > hide #6 models |
| 4741 | | |
| 4742 | | > select #7/G:101 |
| 4743 | | |
| 4744 | | 24 atoms, 25 bonds, 1 residue, 1 model selected |
| 4745 | | |
| 4746 | | > select up |
| 4747 | | |
| 4748 | | 327 atoms, 336 bonds, 22 residues, 1 model selected |
| 4749 | | |
| 4750 | | > select subtract #7/G:120 |
| 4751 | | |
| 4752 | | 320 atoms, 329 bonds, 21 residues, 1 model selected |
| 4753 | | |
| 4754 | | > select #7/G:23 |
| 4755 | | |
| 4756 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 4757 | | |
| 4758 | | > select up |
| 4759 | | |
| 4760 | | 118 atoms, 117 bonds, 8 residues, 1 model selected |
| 4761 | | |
| 4762 | | > select up |
| 4763 | | |
| 4764 | | 1925 atoms, 1953 bonds, 126 residues, 1 model selected |
| 4765 | | |
| 4766 | | > ui tool show "Color Actions" |
| 4767 | | |
| 4768 | | > color sel pale goldenrod |
| 4769 | | |
| 4770 | | > select #7/H:22 |
| 4771 | | |
| 4772 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 4773 | | |
| 4774 | | > select up |
| 4775 | | |
| 4776 | | 87 atoms, 86 bonds, 6 residues, 1 model selected |
| 4777 | | |
| 4778 | | > select up |
| 4779 | | |
| 4780 | | 1569 atoms, 1584 bonds, 110 residues, 1 model selected |
| 4781 | | |
| 4782 | | > color sel cornsilk |
| 4783 | | |
| 4784 | | > color sel floral white |
| 4785 | | |
| 4786 | | > color sel light yellow |
| 4787 | | |
| 4788 | | > select clear |
| 4789 | | |
| 4790 | | Drag select of 1 residues |
| 4791 | | |
| 4792 | | > select up |
| 4793 | | |
| 4794 | | 327 atoms, 336 bonds, 22 residues, 1 model selected |
| 4795 | | |
| 4796 | | > select subtract #7/G:113 |
| 4797 | | |
| 4798 | | 313 atoms, 321 bonds, 21 residues, 1 model selected |
| 4799 | | |
| 4800 | | > select subtract #7/G:114 |
| 4801 | | |
| 4802 | | 293 atoms, 300 bonds, 20 residues, 1 model selected |
| 4803 | | |
| 4804 | | > select subtract #7/G:116 |
| 4805 | | |
| 4806 | | 272 atoms, 277 bonds, 19 residues, 1 model selected |
| 4807 | | |
| 4808 | | > select subtract #7/G:115 |
| 4809 | | |
| 4810 | | 260 atoms, 266 bonds, 18 residues, 1 model selected |
| 4811 | | |
| 4812 | | > select subtract #7/G:117 |
| 4813 | | |
| 4814 | | 236 atoms, 240 bonds, 17 residues, 1 model selected |
| 4815 | | |
| 4816 | | > select subtract #7/G:118 |
| 4817 | | |
| 4818 | | 229 atoms, 233 bonds, 16 residues, 1 model selected |
| 4819 | | |
| 4820 | | > select subtract #7/G:120 |
| 4821 | | |
| 4822 | | 222 atoms, 226 bonds, 15 residues, 1 model selected |
| 4823 | | |
| 4824 | | > select add #7/G:113 |
| 4825 | | |
| 4826 | | 236 atoms, 239 bonds, 16 residues, 1 model selected |
| 4827 | | |
| 4828 | | > select add #7/G:114 |
| 4829 | | |
| 4830 | | 256 atoms, 259 bonds, 17 residues, 1 model selected |
| 4831 | | |
| 4832 | | > select add #7/G:115 |
| 4833 | | |
| 4834 | | 268 atoms, 270 bonds, 18 residues, 1 model selected |
| 4835 | | |
| 4836 | | > select add #7/G:116 |
| 4837 | | |
| 4838 | | 289 atoms, 291 bonds, 19 residues, 1 model selected |
| 4839 | | |
| 4840 | | > select add #7/G:117 |
| 4841 | | |
| 4842 | | 313 atoms, 316 bonds, 20 residues, 1 model selected |
| 4843 | | |
| 4844 | | > select add #7/G:98 |
| 4845 | | |
| 4846 | | 337 atoms, 339 bonds, 21 residues, 1 model selected |
| 4847 | | |
| 4848 | | > select subtract #7/G:119 |
| 4849 | | |
| 4850 | | 320 atoms, 323 bonds, 20 residues, 1 model selected |
| 4851 | | |
| 4852 | | > select subtract #7/G:117 |
| 4853 | | |
| 4854 | | 296 atoms, 298 bonds, 19 residues, 1 model selected |
| 4855 | | |
| 4856 | | > color sel royal blue |
| 4857 | | |
| 4858 | | > color sel cornflower blue |
| 4859 | | |
| 4860 | | > color sel deep sky blue |
| 4861 | | |
| 4862 | | > lighting soft |
| 4863 | | |
| 4864 | | > lighting shadows true intensity 0.5 |
| 4865 | | |
| 4866 | | > graphics silhouettes true |
| 4867 | | |
| 4868 | | > lighting shadows false |
| 4869 | | |
| 4870 | | > lighting soft |
| 4871 | | |
| 4872 | | > lighting full |
| 4873 | | |
| 4874 | | > lighting flat |
| 4875 | | |
| 4876 | | > lighting full |
| 4877 | | |
| 4878 | | > lighting soft |
| 4879 | | |
| 4880 | | > lighting shadows true intensity 0.5 |
| 4881 | | |
| 4882 | | > lighting shadows false |
| 4883 | | |
| 4884 | | > lighting shadows true |
| 4885 | | |
| 4886 | | > lighting shadows false |
| 4887 | | |
| 4888 | | > lighting simple |
| 4889 | | |
| 4890 | | > lighting soft |
| 4891 | | |
| 4892 | | > ui tool show "Side View" |
| 4893 | | |
| 4894 | | > color sel deep sky blue |
| 4895 | | |
| 4896 | | > color sel light steel blue |
| 4897 | | |
| 4898 | | > color sel sky blue |
| 4899 | | |
| 4900 | | > color sel light sky blue |
| 4901 | | |
| 4902 | | > color sel light cyan |
| 4903 | | |
| 4904 | | > color sel sky blue |
| 4905 | | |
| 4906 | | > select clear |
| 4907 | | |
| 4908 | | > select #7/A:70 |
| 4909 | | |
| 4910 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 4911 | | |
| 4912 | | > select up |
| 4913 | | |
| 4914 | | 155 atoms, 156 bonds, 9 residues, 1 model selected |
| 4915 | | |
| 4916 | | > select up |
| 4917 | | |
| 4918 | | 2806 atoms, 2845 bonds, 174 residues, 1 model selected |
| 4919 | | |
| 4920 | | > show #!1 models |
| 4921 | | |
| 4922 | | > hide #!1 models |
| 4923 | | |
| 4924 | | > matchmaker #!1 to #5 & sel |
| 4925 | | |
| 4926 | | No 'to' model specified |
| 4927 | | |
| 4928 | | > matchmaker #!1 to #5 |
| 4929 | | |
| 4930 | | Parameters |
| 4931 | | --- |
| 4932 | | Chain pairing | bb |
| 4933 | | Alignment algorithm | Needleman-Wunsch |
| 4934 | | Similarity matrix | BLOSUM-62 |
| 4935 | | SS fraction | 0.3 |
| 4936 | | Gap open (HH/SS/other) | 18/18/6 |
| 4937 | | Gap extend | 1 |
| 4938 | | SS matrix | | | H | S | O |
| 4939 | | ---|---|---|--- |
| 4940 | | H | 6 | -9 | -6 |
| 4941 | | S | | 6 | -6 |
| 4942 | | O | | | 4 |
| 4943 | | Iteration cutoff | 2 |
| 4944 | | |
| 4945 | | Matchmaker design_start.pdb, chain A (#5) with |
| 4946 | | 231023_poly310-DH270UCA3_refine_001.pdb, chain E (#1), sequence alignment |
| 4947 | | score = 709.7 |
| 4948 | | RMSD between 150 pruned atom pairs is 0.630 angstroms; (across all 164 pairs: |
| 4949 | | 1.402) |
| 4950 | | |
| 4951 | | |
| 4952 | | > show #!1 models |
| 4953 | | |
| 4954 | | > hide #!1 models |
| 4955 | | |
| 4956 | | > show #5 models |
| 4957 | | |
| 4958 | | > hide #7 models |
| 4959 | | |
| 4960 | | > select #5/G:5 |
| 4961 | | |
| 4962 | | 16 atoms, 15 bonds, 1 residue, 1 model selected |
| 4963 | | |
| 4964 | | > select up |
| 4965 | | |
| 4966 | | 69 atoms, 68 bonds, 4 residues, 1 model selected |
| 4967 | | |
| 4968 | | > select up |
| 4969 | | |
| 4970 | | 1925 atoms, 1953 bonds, 126 residues, 1 model selected |
| 4971 | | |
| 4972 | | > select up |
| 4973 | | |
| 4974 | | 6339 atoms, 6419 bonds, 410 residues, 1 model selected |
| 4975 | | |
| 4976 | | > select down |
| 4977 | | |
| 4978 | | 1925 atoms, 1953 bonds, 126 residues, 1 model selected |
| 4979 | | |
| 4980 | | > matchmaker #!1 to #5 & sel |
| 4981 | | |
| 4982 | | Parameters |
| 4983 | | --- |
| 4984 | | Chain pairing | bb |
| 4985 | | Alignment algorithm | Needleman-Wunsch |
| 4986 | | Similarity matrix | BLOSUM-62 |
| 4987 | | SS fraction | 0.3 |
| 4988 | | Gap open (HH/SS/other) | 18/18/6 |
| 4989 | | Gap extend | 1 |
| 4990 | | SS matrix | | | H | S | O |
| 4991 | | ---|---|---|--- |
| 4992 | | H | 6 | -9 | -6 |
| 4993 | | S | | 6 | -6 |
| 4994 | | O | | | 4 |
| 4995 | | Iteration cutoff | 2 |
| 4996 | | |
| 4997 | | Matchmaker design_start.pdb, chain G (#5) with |
| 4998 | | 231023_poly310-DH270UCA3_refine_001.pdb, chain H (#1), sequence alignment |
| 4999 | | score = 638.8 |
| 5000 | | RMSD between 125 pruned atom pairs is 0.800 angstroms; (across all 126 pairs: |
| 5001 | | 0.817) |
| 5002 | | |
| 5003 | | |
| 5004 | | > show #!1 models |
| 5005 | | |
| 5006 | | > hide #5 models |
| 5007 | | |
| 5008 | | > show #6 models |
| 5009 | | |
| 5010 | | > show #7 models |
| 5011 | | |
| 5012 | | > hide #7 models |
| 5013 | | |
| 5014 | | > hide #6 models |
| 5015 | | |
| 5016 | | > show #6 models |
| 5017 | | |
| 5018 | | > show #7 models |
| 5019 | | |
| 5020 | | > select clear |
| 5021 | | |
| 5022 | | > select #6/A:130 |
| 5023 | | |
| 5024 | | 21 atoms, 21 bonds, 1 residue, 1 model selected |
| 5025 | | |
| 5026 | | > select up |
| 5027 | | |
| 5028 | | 167 atoms, 170 bonds, 10 residues, 1 model selected |
| 5029 | | |
| 5030 | | > select up |
| 5031 | | |
| 5032 | | 2815 atoms, 2853 bonds, 174 residues, 1 model selected |
| 5033 | | |
| 5034 | | > color sel pink |
| 5035 | | |
| 5036 | | > hide #!1 models |
| 5037 | | |
| 5038 | | > hide #7 models |
| 5039 | | |
| 5040 | | > select #6/G:5 |
| 5041 | | |
| 5042 | | 16 atoms, 15 bonds, 1 residue, 1 model selected |
| 5043 | | |
| 5044 | | > select up |
| 5045 | | |
| 5046 | | 69 atoms, 68 bonds, 4 residues, 1 model selected |
| 5047 | | |
| 5048 | | > select up |
| 5049 | | |
| 5050 | | 1925 atoms, 1953 bonds, 126 residues, 1 model selected |
| 5051 | | |
| 5052 | | > color sel pale goldenrod |
| 5053 | | |
| 5054 | | > select #6/H:22 |
| 5055 | | |
| 5056 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5057 | | |
| 5058 | | > select up |
| 5059 | | |
| 5060 | | 87 atoms, 86 bonds, 6 residues, 1 model selected |
| 5061 | | |
| 5062 | | > select up |
| 5063 | | |
| 5064 | | 1569 atoms, 1584 bonds, 110 residues, 1 model selected |
| 5065 | | |
| 5066 | | > color sel light yellow |
| 5067 | | |
| 5068 | | > select clear |
| 5069 | | |
| 5070 | | [Repeated 1 time(s)] |
| 5071 | | |
| 5072 | | > select #6/G:102 |
| 5073 | | |
| 5074 | | 19 atoms, 18 bonds, 1 residue, 1 model selected |
| 5075 | | |
| 5076 | | > select up |
| 5077 | | |
| 5078 | | 327 atoms, 336 bonds, 22 residues, 1 model selected |
| 5079 | | |
| 5080 | | > select #6/G:120 |
| 5081 | | |
| 5082 | | 7 atoms, 6 bonds, 1 residue, 1 model selected |
| 5083 | | |
| 5084 | | > select #6/G:103 |
| 5085 | | |
| 5086 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 5087 | | |
| 5088 | | > select up |
| 5089 | | |
| 5090 | | 327 atoms, 336 bonds, 22 residues, 1 model selected |
| 5091 | | |
| 5092 | | > select subtract #6/G:120 |
| 5093 | | |
| 5094 | | 320 atoms, 329 bonds, 21 residues, 1 model selected |
| 5095 | | |
| 5096 | | > select subtract #6/G:119 |
| 5097 | | |
| 5098 | | 303 atoms, 312 bonds, 20 residues, 1 model selected |
| 5099 | | |
| 5100 | | > select subtract #6/G:118 |
| 5101 | | |
| 5102 | | 296 atoms, 305 bonds, 19 residues, 1 model selected |
| 5103 | | |
| 5104 | | > select subtract #6/G:117 |
| 5105 | | |
| 5106 | | 272 atoms, 279 bonds, 18 residues, 1 model selected |
| 5107 | | |
| 5108 | | > color sel sky blue |
| 5109 | | |
| 5110 | | > select clear |
| 5111 | | |
| 5112 | | > show #7 models |
| 5113 | | |
| 5114 | | > hide #7 models |
| 5115 | | |
| 5116 | | > select #6/G:98 |
| 5117 | | |
| 5118 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 5119 | | |
| 5120 | | > color sel sky blue |
| 5121 | | |
| 5122 | | > select clear |
| 5123 | | |
| 5124 | | > show #7 models |
| 5125 | | |
| 5126 | | > hide #6 models |
| 5127 | | |
| 5128 | | > show #6 models |
| 5129 | | |
| 5130 | | > hide #7 models |
| 5131 | | |
| 5132 | | > preset cartoons/nucleotides licorice/ovals |
| 5133 | | |
| 5134 | | Using preset: Cartoons/Nucleotides / Licorice/Ovals |
| 5135 | | Changed 0 atom styles |
| 5136 | | Preset expands to these ChimeraX commands: |
| 5137 | | |
| 5138 | | |
| 5139 | | |
| 5140 | | show nucleic |
| 5141 | | hide protein|solvent|H |
| 5142 | | surf hide |
| 5143 | | style (protein|nucleic|solvent) & @@draw_mode=0 stick |
| 5144 | | ~worm |
| 5145 | | cartoon |
| 5146 | | cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 |
| 5147 | | cartoon style ~(nucleic|strand) x round |
| 5148 | | cartoon style (nucleic|strand) x rect |
| 5149 | | cartoon style protein modeh default arrows f x round width 1 thick 1 |
| 5150 | | cartoon style nucleic x round width 1.6 thick 1.6 |
| 5151 | | nucleotides tube/slab shape ellipsoid |
| 5152 | | |
| 5153 | | |
| 5154 | | |
| 5155 | | > preset cartoons/nucleotides cylinders/stubs |
| 5156 | | |
| 5157 | | Using preset: Cartoons/Nucleotides / Cylinders/Stubs |
| 5158 | | Changed 0 atom styles |
| 5159 | | Preset expands to these ChimeraX commands: |
| 5160 | | |
| 5161 | | |
| 5162 | | |
| 5163 | | show nucleic |
| 5164 | | hide protein|solvent|H |
| 5165 | | surf hide |
| 5166 | | style (protein|nucleic|solvent) & @@draw_mode=0 stick |
| 5167 | | ~worm |
| 5168 | | cartoon |
| 5169 | | cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 |
| 5170 | | cartoon style ~(nucleic|strand) x round |
| 5171 | | cartoon style (nucleic|strand) x rect |
| 5172 | | cartoon style protein modeh tube rad 2 sides 24 thick 0.6 |
| 5173 | | cartoon style nucleic x round width 1.6 thick 1.6 |
| 5174 | | nucleotides stubs |
| 5175 | | |
| 5176 | | |
| 5177 | | |
| 5178 | | > preset cartoons/nucleotides ribbons/slabs |
| 5179 | | |
| 5180 | | Using preset: Cartoons/Nucleotides / Ribbons/Slabs |
| 5181 | | Changed 0 atom styles |
| 5182 | | Preset expands to these ChimeraX commands: |
| 5183 | | |
| 5184 | | |
| 5185 | | |
| 5186 | | show nucleic |
| 5187 | | hide protein|solvent|H |
| 5188 | | surf hide |
| 5189 | | style (protein|nucleic|solvent) & @@draw_mode=0 stick |
| 5190 | | ~worm |
| 5191 | | cartoon |
| 5192 | | cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 |
| 5193 | | cartoon style ~(nucleic|strand) x round |
| 5194 | | cartoon style (nucleic|strand) x rect |
| 5195 | | nucleotides tube/slab shape box |
| 5196 | | |
| 5197 | | |
| 5198 | | |
| 5199 | | > show #7 models |
| 5200 | | |
| 5201 | | > hide #6 models |
| 5202 | | |
| 5203 | | > show #6 models |
| 5204 | | |
| 5205 | | > hide #7 models |
| 5206 | | |
| 5207 | | > hide #6 models |
| 5208 | | |
| 5209 | | > show #4 models |
| 5210 | | |
| 5211 | | > show #6 models |
| 5212 | | |
| 5213 | | > hide #6 models |
| 5214 | | |
| 5215 | | > select #4/G:47 |
| 5216 | | |
| 5217 | | 24 atoms, 25 bonds, 1 residue, 1 model selected |
| 5218 | | |
| 5219 | | > select up |
| 5220 | | |
| 5221 | | 75 atoms, 76 bonds, 4 residues, 1 model selected |
| 5222 | | |
| 5223 | | > select up |
| 5224 | | |
| 5225 | | 1925 atoms, 1953 bonds, 126 residues, 1 model selected |
| 5226 | | |
| 5227 | | > color sel pale goldenrod |
| 5228 | | |
| 5229 | | > select #4/H:87 |
| 5230 | | |
| 5231 | | 12 atoms, 11 bonds, 1 residue, 1 model selected |
| 5232 | | |
| 5233 | | > select up |
| 5234 | | |
| 5235 | | 124 atoms, 126 bonds, 9 residues, 1 model selected |
| 5236 | | |
| 5237 | | > select up |
| 5238 | | |
| 5239 | | 1569 atoms, 1584 bonds, 110 residues, 1 model selected |
| 5240 | | |
| 5241 | | > color sel light yellow |
| 5242 | | |
| 5243 | | > select clear |
| 5244 | | |
| 5245 | | > select #4/G:101 |
| 5246 | | |
| 5247 | | 24 atoms, 25 bonds, 1 residue, 1 model selected |
| 5248 | | |
| 5249 | | > select up |
| 5250 | | |
| 5251 | | 327 atoms, 336 bonds, 22 residues, 1 model selected |
| 5252 | | |
| 5253 | | > select #4/G:98 |
| 5254 | | |
| 5255 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 5256 | | |
| 5257 | | > select clear |
| 5258 | | |
| 5259 | | > select #4/G:109 |
| 5260 | | |
| 5261 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 5262 | | |
| 5263 | | > select up |
| 5264 | | |
| 5265 | | 327 atoms, 336 bonds, 22 residues, 1 model selected |
| 5266 | | |
| 5267 | | > select add #4/G:98 |
| 5268 | | |
| 5269 | | 351 atoms, 359 bonds, 23 residues, 1 model selected |
| 5270 | | |
| 5271 | | > select subtract #4/G:116 |
| 5272 | | |
| 5273 | | 330 atoms, 336 bonds, 22 residues, 1 model selected |
| 5274 | | |
| 5275 | | > select subtract #4/G:117 |
| 5276 | | |
| 5277 | | 306 atoms, 310 bonds, 21 residues, 1 model selected |
| 5278 | | |
| 5279 | | > select subtract #4/G:119 |
| 5280 | | |
| 5281 | | 289 atoms, 292 bonds, 20 residues, 1 model selected |
| 5282 | | |
| 5283 | | > select add #4/G:95 |
| 5284 | | |
| 5285 | | 310 atoms, 313 bonds, 21 residues, 1 model selected |
| 5286 | | |
| 5287 | | > select add #4/G:119 |
| 5288 | | |
| 5289 | | 327 atoms, 329 bonds, 22 residues, 1 model selected |
| 5290 | | |
| 5291 | | > select subtract #4/G:95 |
| 5292 | | |
| 5293 | | 306 atoms, 308 bonds, 21 residues, 1 model selected |
| 5294 | | |
| 5295 | | > select subtract #4/G:118 |
| 5296 | | |
| 5297 | | 299 atoms, 302 bonds, 20 residues, 1 model selected |
| 5298 | | |
| 5299 | | > select subtract #4/G:119 |
| 5300 | | |
| 5301 | | 282 atoms, 286 bonds, 19 residues, 1 model selected |
| 5302 | | |
| 5303 | | > select subtract #4/G:120 |
| 5304 | | |
| 5305 | | 275 atoms, 280 bonds, 18 residues, 1 model selected |
| 5306 | | |
| 5307 | | > color sel sky blue |
| 5308 | | |
| 5309 | | > show #6 models |
| 5310 | | |
| 5311 | | > hide #6 models |
| 5312 | | |
| 5313 | | > show #7 models |
| 5314 | | |
| 5315 | | > hide #7 models |
| 5316 | | |
| 5317 | | > select clear |
| 5318 | | |
| 5319 | | > show #6 models |
| 5320 | | |
| 5321 | | > hide #6 models |
| 5322 | | |
| 5323 | | > show #!1 models |
| 5324 | | |
| 5325 | | > show #6 models |
| 5326 | | |
| 5327 | | > show #7 models |
| 5328 | | |
| 5329 | | > hide #4 models |
| 5330 | | |
| 5331 | | > hide #6 models |
| 5332 | | |
| 5333 | | > show #6 models |
| 5334 | | |
| 5335 | | > hide #!1 models |
| 5336 | | |
| 5337 | | > hide #7 models |
| 5338 | | |
| 5339 | | > show #7 models |
| 5340 | | |
| 5341 | | > hide #6 models |
| 5342 | | |
| 5343 | | > show #6 models |
| 5344 | | |
| 5345 | | > hide #7 models |
| 5346 | | |
| 5347 | | > show #4 models |
| 5348 | | |
| 5349 | | > hide #6 models |
| 5350 | | |
| 5351 | | > show #6 models |
| 5352 | | |
| 5353 | | > hide #4 models |
| 5354 | | |
| 5355 | | > show #7 models |
| 5356 | | |
| 5357 | | > hide #6 models |
| 5358 | | |
| 5359 | | > show #6 models |
| 5360 | | |
| 5361 | | > hide #6 models |
| 5362 | | |
| 5363 | | > show #5 models |
| 5364 | | |
| 5365 | | > hide #5 models |
| 5366 | | |
| 5367 | | > show #4 models |
| 5368 | | |
| 5369 | | > hide #4 models |
| 5370 | | |
| 5371 | | > show #6 models |
| 5372 | | |
| 5373 | | > select clear |
| 5374 | | |
| 5375 | | > select #6/A:76 |
| 5376 | | |
| 5377 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5378 | | |
| 5379 | | > select up |
| 5380 | | |
| 5381 | | 178 atoms, 180 bonds, 11 residues, 1 model selected |
| 5382 | | |
| 5383 | | > select up |
| 5384 | | |
| 5385 | | 2815 atoms, 2853 bonds, 174 residues, 1 model selected |
| 5386 | | |
| 5387 | | > select up |
| 5388 | | |
| 5389 | | 6309 atoms, 6390 bonds, 410 residues, 1 model selected |
| 5390 | | |
| 5391 | | > select down |
| 5392 | | |
| 5393 | | 2815 atoms, 2853 bonds, 174 residues, 1 model selected |
| 5394 | | |
| 5395 | | > matchmaker #7 to #6 & sel |
| 5396 | | |
| 5397 | | Parameters |
| 5398 | | --- |
| 5399 | | Chain pairing | bb |
| 5400 | | Alignment algorithm | Needleman-Wunsch |
| 5401 | | Similarity matrix | BLOSUM-62 |
| 5402 | | SS fraction | 0.3 |
| 5403 | | Gap open (HH/SS/other) | 18/18/6 |
| 5404 | | Gap extend | 1 |
| 5405 | | SS matrix | | | H | S | O |
| 5406 | | ---|---|---|--- |
| 5407 | | H | 6 | -9 | -6 |
| 5408 | | S | | 6 | -6 |
| 5409 | | O | | | 4 |
| 5410 | | Iteration cutoff | 2 |
| 5411 | | |
| 5412 | | Matchmaker RMSD4_NNK1.pdb, chain A (#6) with RMSD6_NNK1.pdb, chain A (#7), |
| 5413 | | sequence alignment score = 841.6 |
| 5414 | | RMSD between 174 pruned atom pairs is 0.233 angstroms; (across all 174 pairs: |
| 5415 | | 0.233) |
| 5416 | | |
| 5417 | | |
| 5418 | | > select clear |
| 5419 | | |
| 5420 | | > hide #7 models |
| 5421 | | |
| 5422 | | > hide #6 models |
| 5423 | | |
| 5424 | | > show #7 models |
| 5425 | | |
| 5426 | | > show #6 models |
| 5427 | | |
| 5428 | | > hide #7 models |
| 5429 | | |
| 5430 | | > show #7 models |
| 5431 | | |
| 5432 | | > hide #7 models |
| 5433 | | |
| 5434 | | > show #7 models |
| 5435 | | |
| 5436 | | > hide #6 models |
| 5437 | | |
| 5438 | | > show #6 models |
| 5439 | | |
| 5440 | | > hide #7 models |
| 5441 | | |
| 5442 | | > select clear |
| 5443 | | |
| 5444 | | > select #6/G:105 |
| 5445 | | |
| 5446 | | 21 atoms, 21 bonds, 1 residue, 1 model selected |
| 5447 | | |
| 5448 | | > select up |
| 5449 | | |
| 5450 | | 327 atoms, 336 bonds, 22 residues, 1 model selected |
| 5451 | | |
| 5452 | | > ui tool show Contacts |
| 5453 | | |
| 5454 | | > contacts sel restrict cross interModel false intraMol false |
| 5455 | | > ignoreHiddenModels true select true color #ffd479 reveal true log true |
| 5456 | | |
| 5457 | | |
| 5458 | | Allowed overlap: -0.4 |
| 5459 | | H-bond overlap reduction: 0.4 |
| 5460 | | Ignore contacts between atoms separated by 4 bonds or less |
| 5461 | | Detect intra-residue contacts: False |
| 5462 | | Detect intra-molecule contacts: False |
| 5463 | | |
| 5464 | | 98 contacts |
| 5465 | | atom1 atom2 overlap distance |
| 5466 | | RMSD4_NNK1.pdb #6/G GLY 110 O RMSD4_NNK1.pdb #6/H LEU 34 3HD1 0.347 2.133 |
| 5467 | | RMSD4_NNK1.pdb #6/G ASP 107 H RMSD4_NNK1.pdb #6/A GLU 79 OE1 0.259 1.821 |
| 5468 | | RMSD4_NNK1.pdb #6/G PHE 114 H RMSD4_NNK1.pdb #6/H TYR 38 OH 0.241 1.859 |
| 5469 | | RMSD4_NNK1.pdb #6/G PHE 114 H RMSD4_NNK1.pdb #6/H LEU 48 2HD1 0.178 1.822 |
| 5470 | | RMSD4_NNK1.pdb #6/G PRO 112 O RMSD4_NNK1.pdb #6/H TYR 38 HH 0.172 1.908 |
| 5471 | | RMSD4_NNK1.pdb #6/G TYR 111 CE2 RMSD4_NNK1.pdb #6/H LEU 34 CD2 0.152 3.248 |
| 5472 | | RMSD4_NNK1.pdb #6/G TYR 106 CD2 RMSD4_NNK1.pdb #6/A LEU 70 1HD2 0.132 2.568 |
| 5473 | | RMSD4_NNK1.pdb #6/G ASP 115 OD1 RMSD4_NNK1.pdb #6/H TYR 51 HH 0.130 1.950 |
| 5474 | | RMSD4_NNK1.pdb #6/G GLY 110 O RMSD4_NNK1.pdb #6/H LEU 34 CD1 0.120 3.060 |
| 5475 | | RMSD4_NNK1.pdb #6/G ASP 115 OD1 RMSD4_NNK1.pdb #6/H LEU 48 3HD1 0.112 2.368 |
| 5476 | | RMSD4_NNK1.pdb #6/G TYR 111 CE2 RMSD4_NNK1.pdb #6/H LEU 34 1HD2 0.104 2.596 |
| 5477 | | RMSD4_NNK1.pdb #6/G GLY 110 O RMSD4_NNK1.pdb #6/H TYR 93 1HB 0.064 2.416 |
| 5478 | | RMSD4_NNK1.pdb #6/G TYR 111 OH RMSD4_NNK1.pdb #6/A VAL 77 3HG1 0.048 2.452 |
| 5479 | | RMSD4_NNK1.pdb #6/G PHE 114 HD1 RMSD4_NNK1.pdb #6/H TYR 38 OH 0.047 2.453 |
| 5480 | | RMSD4_NNK1.pdb #6/G ASP 115 CG RMSD4_NNK1.pdb #6/H TYR 51 OH 0.031 3.169 |
| 5481 | | RMSD4_NNK1.pdb #6/G TRP 117 CZ3 RMSD4_NNK1.pdb #6/H PRO 46 CG 0.022 3.378 |
| 5482 | | RMSD4_NNK1.pdb #6/G PHE 114 H RMSD4_NNK1.pdb #6/H LEU 48 CD1 0.008 2.692 |
| 5483 | | RMSD4_NNK1.pdb #6/G PHE 114 CD1 RMSD4_NNK1.pdb #6/H TYR 38 OH -0.013 3.213 |
| 5484 | | RMSD4_NNK1.pdb #6/G TRP 117 CE3 RMSD4_NNK1.pdb #6/H PRO 46 CG -0.014 3.414 |
| 5485 | | RMSD4_NNK1.pdb #6/G TYR 106 CD2 RMSD4_NNK1.pdb #6/A LEU 70 CD2 -0.018 3.418 |
| 5486 | | RMSD4_NNK1.pdb #6/G TYR 111 CD2 RMSD4_NNK1.pdb #6/H LEU 34 CD2 -0.019 3.419 |
| 5487 | | RMSD4_NNK1.pdb #6/G TYR 111 CD2 RMSD4_NNK1.pdb #6/H LEU 34 2HD2 -0.019 2.719 |
| 5488 | | RMSD4_NNK1.pdb #6/G PHE 114 N RMSD4_NNK1.pdb #6/H LEU 48 2HD1 -0.033 2.658 |
| 5489 | | RMSD4_NNK1.pdb #6/G PHE 114 O RMSD4_NNK1.pdb #6/H TYR 38 HE2 -0.033 2.513 |
| 5490 | | RMSD4_NNK1.pdb #6/G ASP 115 OD1 RMSD4_NNK1.pdb #6/H TYR 51 OH -0.033 2.613 |
| 5491 | | RMSD4_NNK1.pdb #6/G PHE 114 N RMSD4_NNK1.pdb #6/H TYR 38 OH -0.042 2.767 |
| 5492 | | RMSD4_NNK1.pdb #6/G TRP 117 CD2 RMSD4_NNK1.pdb #6/H PRO 46 1HG -0.046 2.746 |
| 5493 | | RMSD4_NNK1.pdb #6/G ASP 115 CG RMSD4_NNK1.pdb #6/H TYR 51 HH -0.065 2.765 |
| 5494 | | RMSD4_NNK1.pdb #6/G PHE 114 CE1 RMSD4_NNK1.pdb #6/H PHE 101 HZ -0.082 2.782 |
| 5495 | | RMSD4_NNK1.pdb #6/G TYR 105 CE2 RMSD4_NNK1.pdb #6/A LEU 36 1HD2 -0.083 2.783 |
| 5496 | | RMSD4_NNK1.pdb #6/G TYR 111 HH RMSD4_NNK1.pdb #6/A VAL 77 3HG1 -0.085 2.085 |
| 5497 | | RMSD4_NNK1.pdb #6/G PHE 114 HE1 RMSD4_NNK1.pdb #6/H PHE 101 HZ -0.093 2.093 |
| 5498 | | RMSD4_NNK1.pdb #6/G ASP 107 H RMSD4_NNK1.pdb #6/A GLU 79 CD -0.093 2.793 |
| 5499 | | RMSD4_NNK1.pdb #6/G TRP 117 CE3 RMSD4_NNK1.pdb #6/H PRO 46 1HG -0.104 2.804 |
| 5500 | | RMSD4_NNK1.pdb #6/G ASP 107 N RMSD4_NNK1.pdb #6/A GLU 79 OE1 -0.107 2.812 |
| 5501 | | RMSD4_NNK1.pdb #6/G TYR 105 OH RMSD4_NNK1.pdb #6/A VAL 41 3HG1 -0.112 2.612 |
| 5502 | | RMSD4_NNK1.pdb #6/G TYR 105 HE2 RMSD4_NNK1.pdb #6/A LEU 36 1HD2 -0.122 2.122 |
| 5503 | | RMSD4_NNK1.pdb #6/G PHE 114 N RMSD4_NNK1.pdb #6/H LEU 48 CD1 -0.134 3.459 |
| 5504 | | RMSD4_NNK1.pdb #6/G TYR 105 HE2 RMSD4_NNK1.pdb #6/A VAL 41 2HG2 -0.140 2.140 |
| 5505 | | RMSD4_NNK1.pdb #6/G TYR 111 CZ RMSD4_NNK1.pdb #6/H LEU 34 1HD2 -0.146 2.846 |
| 5506 | | RMSD4_NNK1.pdb #6/G GLY 110 CA RMSD4_NNK1.pdb #6/H TYR 93 CD1 -0.152 3.552 |
| 5507 | | RMSD4_NNK1.pdb #6/G GLY 110 C RMSD4_NNK1.pdb #6/H LEU 34 3HD1 -0.156 2.856 |
| 5508 | | RMSD4_NNK1.pdb #6/G PHE 114 HD1 RMSD4_NNK1.pdb #6/H TYR 38 CZ -0.169 2.869 |
| 5509 | | RMSD4_NNK1.pdb #6/G TRP 117 CZ3 RMSD4_NNK1.pdb #6/H PRO 46 2HG -0.173 2.873 |
| 5510 | | RMSD4_NNK1.pdb #6/G TRP 117 CE2 RMSD4_NNK1.pdb #6/H PRO 46 1HG -0.174 2.874 |
| 5511 | | RMSD4_NNK1.pdb #6/G TYR 105 CE2 RMSD4_NNK1.pdb #6/A LEU 36 CD2 -0.174 3.574 |
| 5512 | | RMSD4_NNK1.pdb #6/G GLY 110 O RMSD4_NNK1.pdb #6/H TYR 93 CB -0.182 3.362 |
| 5513 | | RMSD4_NNK1.pdb #6/G TYR 111 OH RMSD4_NNK1.pdb #6/A VAL 77 CG1 -0.191 3.391 |
| 5514 | | RMSD4_NNK1.pdb #6/G TYR 105 CD1 RMSD4_NNK1.pdb #6/A MET 49 CE -0.196 3.596 |
| 5515 | | RMSD4_NNK1.pdb #6/G PRO 112 1HG RMSD4_NNK1.pdb #6/H SER 36 HG -0.205 2.205 |
| 5516 | | RMSD4_NNK1.pdb #6/G PRO 112 O RMSD4_NNK1.pdb #6/H TYR 38 OH -0.208 2.788 |
| 5517 | | RMSD4_NNK1.pdb #6/G ASN 113 OD1 RMSD4_NNK1.pdb #6/H TYR 51 CE1 -0.209 3.389 |
| 5518 | | RMSD4_NNK1.pdb #6/G ASP 115 OD1 RMSD4_NNK1.pdb #6/H LEU 48 CD1 -0.215 3.395 |
| 5519 | | RMSD4_NNK1.pdb #6/G GLY 110 2HA RMSD4_NNK1.pdb #6/H TYR 93 CE1 -0.217 2.917 |
| 5520 | | RMSD4_NNK1.pdb #6/G TRP 117 CH2 RMSD4_NNK1.pdb #6/H PRO 46 CG -0.221 3.621 |
| 5521 | | RMSD4_NNK1.pdb #6/G PRO 112 C RMSD4_NNK1.pdb #6/H TYR 38 HH -0.222 2.922 |
| 5522 | | RMSD4_NNK1.pdb #6/G TYR 106 1HB RMSD4_NNK1.pdb #6/A GLU 79 OE1 -0.235 2.715 |
| 5523 | | RMSD4_NNK1.pdb #6/G TYR 106 OH RMSD4_NNK1.pdb #6/A TYR 72 CD2 -0.240 3.440 |
| 5524 | | RMSD4_NNK1.pdb #6/G PRO 112 1HG RMSD4_NNK1.pdb #6/H SER 36 OG -0.249 2.749 |
| 5525 | | RMSD4_NNK1.pdb #6/G GLY 110 2HA RMSD4_NNK1.pdb #6/H TYR 93 CD1 -0.250 2.950 |
| 5526 | | RMSD4_NNK1.pdb #6/G TYR 105 CE1 RMSD4_NNK1.pdb #6/A MET 49 SD -0.251 3.733 |
| 5527 | | RMSD4_NNK1.pdb #6/G TYR 105 OH RMSD4_NNK1.pdb #6/A VAL 41 HA -0.257 2.757 |
| 5528 | | RMSD4_NNK1.pdb #6/G PHE 114 CB RMSD4_NNK1.pdb #6/H TYR 38 OH -0.259 3.459 |
| 5529 | | RMSD4_NNK1.pdb #6/G TRP 117 CZ3 RMSD4_NNK1.pdb #6/H PRO 46 1HG -0.276 2.976 |
| 5530 | | RMSD4_NNK1.pdb #6/G ASP 107 CB RMSD4_NNK1.pdb #6/A GLU 79 OE1 -0.280 3.460 |
| 5531 | | RMSD4_NNK1.pdb #6/G GLY 110 CA RMSD4_NNK1.pdb #6/H TYR 93 CE1 -0.281 3.681 |
| 5532 | | RMSD4_NNK1.pdb #6/G TYR 111 CE2 RMSD4_NNK1.pdb #6/H LEU 34 2HD2 -0.282 2.982 |
| 5533 | | RMSD4_NNK1.pdb #6/G ASN 113 HA RMSD4_NNK1.pdb #6/H LEU 48 CD1 -0.284 2.984 |
| 5534 | | RMSD4_NNK1.pdb #6/G TRP 117 CD2 RMSD4_NNK1.pdb #6/H PRO 46 CG -0.287 3.687 |
| 5535 | | RMSD4_NNK1.pdb #6/G TYR 111 HH RMSD4_NNK1.pdb #6/A VAL 77 CG1 -0.297 2.997 |
| 5536 | | RMSD4_NNK1.pdb #6/G PHE 114 H RMSD4_NNK1.pdb #6/H TYR 38 HH -0.321 2.321 |
| 5537 | | RMSD4_NNK1.pdb #6/G TYR 111 CZ RMSD4_NNK1.pdb #6/H LEU 34 CD2 -0.328 3.728 |
| 5538 | | RMSD4_NNK1.pdb #6/G TYR 106 OH RMSD4_NNK1.pdb #6/A TYR 72 CE2 -0.329 3.529 |
| 5539 | | RMSD4_NNK1.pdb #6/G TYR 106 CG RMSD4_NNK1.pdb #6/A LEU 70 1HD2 -0.332 3.032 |
| 5540 | | RMSD4_NNK1.pdb #6/G TYR 105 CD1 RMSD4_NNK1.pdb #6/A MET 49 3HE -0.332 3.032 |
| 5541 | | RMSD4_NNK1.pdb #6/G TYR 105 CG RMSD4_NNK1.pdb #6/A MET 49 CE -0.332 3.732 |
| 5542 | | RMSD4_NNK1.pdb #6/G TRP 117 CE3 RMSD4_NNK1.pdb #6/H PRO 46 CD -0.334 3.734 |
| 5543 | | RMSD4_NNK1.pdb #6/G PRO 112 O RMSD4_NNK1.pdb #6/H SER 36 HG -0.334 2.414 |
| 5544 | | RMSD4_NNK1.pdb #6/G PHE 114 1HB RMSD4_NNK1.pdb #6/H TYR 38 OH -0.339 2.839 |
| 5545 | | RMSD4_NNK1.pdb #6/G ASP 107 2HB RMSD4_NNK1.pdb #6/A GLU 79 OE1 -0.340 2.820 |
| 5546 | | RMSD4_NNK1.pdb #6/G ASN 113 HA RMSD4_NNK1.pdb #6/H LEU 48 1HD1 -0.341 2.341 |
| 5547 | | RMSD4_NNK1.pdb #6/G PHE 114 HE1 RMSD4_NNK1.pdb #6/H PHE 101 CZ -0.343 3.043 |
| 5548 | | RMSD4_NNK1.pdb #6/G GLY 110 O RMSD4_NNK1.pdb #6/H TYR 93 CG -0.343 3.523 |
| 5549 | | RMSD4_NNK1.pdb #6/G PHE 114 1HB RMSD4_NNK1.pdb #6/H TYR 38 CE2 -0.347 3.047 |
| 5550 | | RMSD4_NNK1.pdb #6/G TYR 105 CE2 RMSD4_NNK1.pdb #6/A PHE 40 HE1 -0.349 3.049 |
| 5551 | | RMSD4_NNK1.pdb #6/G TRP 117 HZ2 RMSD4_NNK1.pdb #6/H TYR 38 CE2 -0.360 3.060 |
| 5552 | | RMSD4_NNK1.pdb #6/G TYR 105 HE2 RMSD4_NNK1.pdb #6/A LEU 36 CD2 -0.366 3.066 |
| 5553 | | RMSD4_NNK1.pdb #6/G TRP 117 CE3 RMSD4_NNK1.pdb #6/H PRO 46 1HD -0.367 3.067 |
| 5554 | | RMSD4_NNK1.pdb #6/G PHE 114 CA RMSD4_NNK1.pdb #6/H TYR 38 OH -0.368 3.568 |
| 5555 | | RMSD4_NNK1.pdb #6/G TRP 117 CZ2 RMSD4_NNK1.pdb #6/H PRO 46 1HG -0.371 3.071 |
| 5556 | | RMSD4_NNK1.pdb #6/G ASN 113 OD1 RMSD4_NNK1.pdb #6/H TYR 51 CD1 -0.372 3.552 |
| 5557 | | RMSD4_NNK1.pdb #6/G PHE 114 H RMSD4_NNK1.pdb #6/H TYR 38 CZ -0.373 3.073 |
| 5558 | | RMSD4_NNK1.pdb #6/G TYR 106 CE2 RMSD4_NNK1.pdb #6/A LEU 70 1HD2 -0.376 3.076 |
| 5559 | | RMSD4_NNK1.pdb #6/G GLY 110 O RMSD4_NNK1.pdb #6/H TYR 93 CD1 -0.380 3.560 |
| 5560 | | RMSD4_NNK1.pdb #6/G TYR 105 CZ RMSD4_NNK1.pdb #6/A MET 49 SD -0.388 3.870 |
| 5561 | | RMSD4_NNK1.pdb #6/G TRP 117 CH2 RMSD4_NNK1.pdb #6/H PRO 46 2HG -0.391 3.091 |
| 5562 | | RMSD4_NNK1.pdb #6/G GLY 110 C RMSD4_NNK1.pdb #6/H LEU 34 CD1 -0.398 3.798 |
| 5563 | | RMSD4_NNK1.pdb #6/G TRP 117 CH2 RMSD4_NNK1.pdb #6/H PRO 46 1HG -0.399 3.099 |
| 5564 | | |
| 5565 | | |
| 5566 | | |
| 5567 | | 98 contacts |
| 5568 | | |
| 5569 | | > undo |
| 5570 | | |
| 5571 | | > hide sel atoms |
| 5572 | | |
| 5573 | | > select up |
| 5574 | | |
| 5575 | | 310 atoms, 302 bonds, 17 residues, 1 model selected |
| 5576 | | |
| 5577 | | > hide sel atoms |
| 5578 | | |
| 5579 | | > select add #6/G:111 |
| 5580 | | |
| 5581 | | 331 atoms, 323 bonds, 18 residues, 1 model selected |
| 5582 | | |
| 5583 | | > select up |
| 5584 | | |
| 5585 | | 1781 atoms, 1810 bonds, 112 residues, 1 model selected |
| 5586 | | |
| 5587 | | > hide sel atoms |
| 5588 | | |
| 5589 | | > select clear |
| 5590 | | |
| 5591 | | > select #6/A:71 |
| 5592 | | |
| 5593 | | 20 atoms, 20 bonds, 1 residue, 1 model selected |
| 5594 | | |
| 5595 | | > select up |
| 5596 | | |
| 5597 | | 152 atoms, 154 bonds, 9 residues, 1 model selected |
| 5598 | | |
| 5599 | | > select up |
| 5600 | | |
| 5601 | | 2815 atoms, 2853 bonds, 174 residues, 1 model selected |
| 5602 | | |
| 5603 | | > contacts ignoreHiddenModels true color #ff2600 |
| 5604 | | |
| 5605 | | 4408 contacts |
| 5606 | | |
| 5607 | | > undo |
| 5608 | | |
| 5609 | | > select #6/A:70 |
| 5610 | | |
| 5611 | | 19 atoms, 18 bonds, 1 residue, 1 model selected |
| 5612 | | |
| 5613 | | > select up |
| 5614 | | |
| 5615 | | 152 atoms, 154 bonds, 9 residues, 1 model selected |
| 5616 | | |
| 5617 | | > select up |
| 5618 | | |
| 5619 | | 2815 atoms, 2853 bonds, 174 residues, 1 model selected |
| 5620 | | |
| 5621 | | > contacts sel restrict cross ignoreHiddenModels true color #ff2600 |
| 5622 | | |
| 5623 | | 57 contacts |
| 5624 | | |
| 5625 | | > contacts sel restrict cross interModel false intraMol false |
| 5626 | | > ignoreHiddenModels true select true color #ff2600 reveal true |
| 5627 | | |
| 5628 | | 57 contacts |
| 5629 | | |
| 5630 | | > select up |
| 5631 | | |
| 5632 | | 400 atoms, 387 bonds, 24 residues, 1 model selected |
| 5633 | | |
| 5634 | | > color sel byhetero |
| 5635 | | |
| 5636 | | > show #!1 models |
| 5637 | | |
| 5638 | | > show #7 models |
| 5639 | | |
| 5640 | | > hide #7 models |
| 5641 | | |
| 5642 | | > select #6/A:71 |
| 5643 | | |
| 5644 | | 20 atoms, 20 bonds, 1 residue, 1 model selected |
| 5645 | | |
| 5646 | | > select up |
| 5647 | | |
| 5648 | | 152 atoms, 154 bonds, 9 residues, 1 model selected |
| 5649 | | |
| 5650 | | > select up |
| 5651 | | |
| 5652 | | 2815 atoms, 2853 bonds, 174 residues, 1 model selected |
| 5653 | | |
| 5654 | | > matchmaker #!1 to #6 & sel |
| 5655 | | |
| 5656 | | Parameters |
| 5657 | | --- |
| 5658 | | Chain pairing | bb |
| 5659 | | Alignment algorithm | Needleman-Wunsch |
| 5660 | | Similarity matrix | BLOSUM-62 |
| 5661 | | SS fraction | 0.3 |
| 5662 | | Gap open (HH/SS/other) | 18/18/6 |
| 5663 | | Gap extend | 1 |
| 5664 | | SS matrix | | | H | S | O |
| 5665 | | ---|---|---|--- |
| 5666 | | H | 6 | -9 | -6 |
| 5667 | | S | | 6 | -6 |
| 5668 | | O | | | 4 |
| 5669 | | Iteration cutoff | 2 |
| 5670 | | |
| 5671 | | Matchmaker RMSD4_NNK1.pdb, chain A (#6) with |
| 5672 | | 231023_poly310-DH270UCA3_refine_001.pdb, chain E (#1), sequence alignment |
| 5673 | | score = 692.2 |
| 5674 | | RMSD between 150 pruned atom pairs is 0.641 angstroms; (across all 164 pairs: |
| 5675 | | 1.442) |
| 5676 | | |
| 5677 | | |
| 5678 | | > show #7 models |
| 5679 | | |
| 5680 | | > hide #!6 models |
| 5681 | | |
| 5682 | | > show #!6 models |
| 5683 | | |
| 5684 | | > hide #7 models |
| 5685 | | |
| 5686 | | > select clear |
| 5687 | | |
| 5688 | | > hide #!1 models |
| 5689 | | |
| 5690 | | > show #!1 models |
| 5691 | | |
| 5692 | | > hide #!1 models |
| 5693 | | |
| 5694 | | > hide #!6 models |
| 5695 | | |
| 5696 | | > show #7 models |
| 5697 | | |
| 5698 | | > select #7/A:70 |
| 5699 | | |
| 5700 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 5701 | | |
| 5702 | | > select up |
| 5703 | | |
| 5704 | | 155 atoms, 156 bonds, 9 residues, 1 model selected |
| 5705 | | |
| 5706 | | > select up |
| 5707 | | |
| 5708 | | 2806 atoms, 2845 bonds, 174 residues, 1 model selected |
| 5709 | | |
| 5710 | | > contacts sel restrict cross interModel false intraMol false |
| 5711 | | > ignoreHiddenModels true select true color #ff2600 name contacts_RMSD6 reveal |
| 5712 | | > true |
| 5713 | | |
| 5714 | | 63 contacts |
| 5715 | | |
| 5716 | | > select up |
| 5717 | | |
| 5718 | | 344 atoms, 338 bonds, 20 residues, 1 model selected |
| 5719 | | |
| 5720 | | > color sel byhetero |
| 5721 | | |
| 5722 | | > select clear |
| 5723 | | |
| 5724 | | > hide #8 models |
| 5725 | | |
| 5726 | | > hide #!7 models |
| 5727 | | |
| 5728 | | > show #!1 models |
| 5729 | | |
| 5730 | | > select #1/E:79 |
| 5731 | | |
| 5732 | | 7 atoms, 6 bonds, 1 residue, 1 model selected |
| 5733 | | |
| 5734 | | > select up |
| 5735 | | |
| 5736 | | 78 atoms, 80 bonds, 9 residues, 1 model selected |
| 5737 | | |
| 5738 | | > select up |
| 5739 | | |
| 5740 | | 709 atoms, 728 bonds, 90 residues, 1 model selected |
| 5741 | | |
| 5742 | | > select up |
| 5743 | | |
| 5744 | | 727 atoms, 746 bonds, 92 residues, 1 model selected |
| 5745 | | |
| 5746 | | > select up |
| 5747 | | |
| 5748 | | 1313 atoms, 1346 bonds, 164 residues, 1 model selected |
| 5749 | | |
| 5750 | | > select up |
| 5751 | | |
| 5752 | | 4647 atoms, 4757 bonds, 608 residues, 1 model selected |
| 5753 | | |
| 5754 | | > select down |
| 5755 | | |
| 5756 | | 1313 atoms, 1346 bonds, 164 residues, 1 model selected |
| 5757 | | |
| 5758 | | > contacts sel restrict cross interModel false intraMol false |
| 5759 | | > ignoreHiddenModels true select true color #ff2600 name contacts_poly310 |
| 5760 | | > reveal true |
| 5761 | | |
| 5762 | | 64 contacts |
| 5763 | | |
| 5764 | | > select up |
| 5765 | | |
| 5766 | | 237 atoms, 233 bonds, 27 residues, 1 model selected |
| 5767 | | |
| 5768 | | > color sel byhetero |
| 5769 | | |
| 5770 | | > hide #!1 models |
| 5771 | | |
| 5772 | | > show #!1 models |
| 5773 | | |
| 5774 | | > select clear |
| 5775 | | |
| 5776 | | > select #1/H:126 |
| 5777 | | |
| 5778 | | 7 atoms, 6 bonds, 1 residue, 1 model selected |
| 5779 | | |
| 5780 | | > select up |
| 5781 | | |
| 5782 | | 36 atoms, 35 bonds, 5 residues, 1 model selected |
| 5783 | | |
| 5784 | | > select up |
| 5785 | | |
| 5786 | | 1725 atoms, 1772 bonds, 228 residues, 1 model selected |
| 5787 | | |
| 5788 | | > color sel pale goldenrod |
| 5789 | | |
| 5790 | | > select #1/L:105 |
| 5791 | | |
| 5792 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
| 5793 | | |
| 5794 | | > select up |
| 5795 | | |
| 5796 | | 67 atoms, 69 bonds, 8 residues, 1 model selected |
| 5797 | | |
| 5798 | | > select up |
| 5799 | | |
| 5800 | | 1609 atoms, 1639 bonds, 216 residues, 1 model selected |
| 5801 | | |
| 5802 | | > color sel light yellow |
| 5803 | | |
| 5804 | | > select clear |
| 5805 | | |
| 5806 | | [Repeated 2 time(s)] |
| 5807 | | |
| 5808 | | > select #1/H:111C |
| 5809 | | |
| 5810 | | 12 atoms, 12 bonds, 1 residue, 1 model selected |
| 5811 | | |
| 5812 | | > select up |
| 5813 | | |
| 5814 | | 181 atoms, 190 bonds, 22 residues, 1 model selected |
| 5815 | | |
| 5816 | | > select subtract #1/H:119 |
| 5817 | | |
| 5818 | | 177 atoms, 185 bonds, 21 residues, 1 model selected |
| 5819 | | |
| 5820 | | > select subtract #1/H:120 |
| 5821 | | |
| 5822 | | 168 atoms, 176 bonds, 20 residues, 1 model selected |
| 5823 | | |
| 5824 | | > select subtract #1/H:121 |
| 5825 | | |
| 5826 | | 164 atoms, 173 bonds, 19 residues, 1 model selected |
| 5827 | | |
| 5828 | | > select subtract #1/H:118 |
| 5829 | | |
| 5830 | | 150 atoms, 157 bonds, 18 residues, 1 model selected |
| 5831 | | |
| 5832 | | > select subtract #1/H:117 |
| 5833 | | |
| 5834 | | 138 atoms, 144 bonds, 17 residues, 1 model selected |
| 5835 | | |
| 5836 | | > color sel sky blue |
| 5837 | | |
| 5838 | | > select add #1 |
| 5839 | | |
| 5840 | | 4647 atoms, 4757 bonds, 71 pseudobonds, 608 residues, 4 models selected |
| 5841 | | |
| 5842 | | > color sel byhetero |
| 5843 | | |
| 5844 | | > select clear |
| 5845 | | |
| 5846 | | > hide #!1 models |
| 5847 | | |
| 5848 | | > show #!6 models |
| 5849 | | |
| 5850 | | > select add #6 |
| 5851 | | |
| 5852 | | 6309 atoms, 6390 bonds, 114 pseudobonds, 410 residues, 3 models selected |
| 5853 | | |
| 5854 | | > select add #7 |
| 5855 | | |
| 5856 | | 12609 atoms, 12772 bonds, 177 pseudobonds, 820 residues, 5 models selected |
| 5857 | | |
| 5858 | | > show #!7 models |
| 5859 | | |
| 5860 | | > select H |
| 5861 | | |
| 5862 | | 12439 atoms, 19 pseudobonds, 1640 residues, 7 models selected |
| 5863 | | |
| 5864 | | > select clear |
| 5865 | | |
| 5866 | | > select add #6 |
| 5867 | | |
| 5868 | | 6309 atoms, 6390 bonds, 114 pseudobonds, 410 residues, 3 models selected |
| 5869 | | |
| 5870 | | > select add #7 |
| 5871 | | |
| 5872 | | 12609 atoms, 12772 bonds, 177 pseudobonds, 820 residues, 5 models selected |
| 5873 | | |
| 5874 | | > select H |
| 5875 | | |
| 5876 | | 12439 atoms, 19 pseudobonds, 1640 residues, 7 models selected |
| 5877 | | |
| 5878 | | > delete atoms (#!6-7 & sel) |
| 5879 | | |
| 5880 | | > delete bonds (#!6-7 & sel) |
| 5881 | | |
| 5882 | | > hide #!6 models |
| 5883 | | |
| 5884 | | > show #!6 models |
| 5885 | | |
| 5886 | | > hide #!7 models |
| 5887 | | |
| 5888 | | > show #!7 models |
| 5889 | | |
| 5890 | | > show #!1 models |
| 5891 | | |
| 5892 | | > show #2 models |
| 5893 | | |
| 5894 | | > hide #2 models |
| 5895 | | |
| 5896 | | > hide #!1 models |
| 5897 | | |
| 5898 | | > select clear |
| 5899 | | |
| 5900 | | > hide #!7 models |
| 5901 | | |
| 5902 | | > show #!1 models |
| 5903 | | |
| 5904 | | > hide #!6 models |
| 5905 | | |
| 5906 | | > show #4 models |
| 5907 | | |
| 5908 | | > hide #4 models |
| 5909 | | |
| 5910 | | > show #!6 models |
| 5911 | | |
| 5912 | | > hide #6.1 models |
| 5913 | | |
| 5914 | | > hide #!6 models |
| 5915 | | |
| 5916 | | > show #!7 models |
| 5917 | | |
| 5918 | | > hide #!7 models |
| 5919 | | |
| 5920 | | > select #1/E:33 |
| 5921 | | |
| 5922 | | 7 atoms, 6 bonds, 1 residue, 1 model selected |
| 5923 | | |
| 5924 | | > select up |
| 5925 | | |
| 5926 | | 74 atoms, 76 bonds, 10 residues, 1 model selected |
| 5927 | | |
| 5928 | | > select up |
| 5929 | | |
| 5930 | | 709 atoms, 728 bonds, 90 residues, 1 model selected |
| 5931 | | |
| 5932 | | > select up |
| 5933 | | |
| 5934 | | 727 atoms, 746 bonds, 92 residues, 1 model selected |
| 5935 | | |
| 5936 | | > select up |
| 5937 | | |
| 5938 | | 1313 atoms, 1346 bonds, 164 residues, 1 model selected |
| 5939 | | |
| 5940 | | > show #5 models |
| 5941 | | |
| 5942 | | > hide #5 models |
| 5943 | | |
| 5944 | | > show #!6 models |
| 5945 | | |
| 5946 | | > select clear |
| 5947 | | |
| 5948 | | > show #!7 models |
| 5949 | | |
| 5950 | | > hide #!7 models |
| 5951 | | |
| 5952 | | > select #6/A:131 |
| 5953 | | |
| 5954 | | 9 atoms, 8 bonds, 1 residue, 1 model selected |
| 5955 | | |
| 5956 | | > select up |
| 5957 | | |
| 5958 | | 88 atoms, 91 bonds, 10 residues, 1 model selected |
| 5959 | | |
| 5960 | | > select up |
| 5961 | | |
| 5962 | | 1416 atoms, 1454 bonds, 174 residues, 1 model selected |
| 5963 | | |
| 5964 | | > show #8 models |
| 5965 | | |
| 5966 | | > matchmaker #4 to #6 & sel |
| 5967 | | |
| 5968 | | Parameters |
| 5969 | | --- |
| 5970 | | Chain pairing | bb |
| 5971 | | Alignment algorithm | Needleman-Wunsch |
| 5972 | | Similarity matrix | BLOSUM-62 |
| 5973 | | SS fraction | 0.3 |
| 5974 | | Gap open (HH/SS/other) | 18/18/6 |
| 5975 | | Gap extend | 1 |
| 5976 | | SS matrix | | | H | S | O |
| 5977 | | ---|---|---|--- |
| 5978 | | H | 6 | -9 | -6 |
| 5979 | | S | | 6 | -6 |
| 5980 | | O | | | 4 |
| 5981 | | Iteration cutoff | 2 |
| 5982 | | |
| 5983 | | Matchmaker RMSD4_NNK1.pdb, chain A (#6) with Cluster2c_lib1.pdb, chain A (#4), |
| 5984 | | sequence alignment score = 808.5 |
| 5985 | | RMSD between 174 pruned atom pairs is 0.223 angstroms; (across all 174 pairs: |
| 5986 | | 0.223) |
| 5987 | | |
| 5988 | | |
| 5989 | | > hide #!6 models |
| 5990 | | |
| 5991 | | > show #4 models |
| 5992 | | |
| 5993 | | > hide #4 models |
| 5994 | | |
| 5995 | | > hide #1.3 models |
| 5996 | | |
| 5997 | | > hide #1.1 models |
| 5998 | | |
| 5999 | | > show #1.3 models |
| 6000 | | |
| 6001 | | > select #1/E:43 |
| 6002 | | |
| 6003 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 6004 | | |
| 6005 | | > select up |
| 6006 | | |
| 6007 | | 113 atoms, 114 bonds, 14 residues, 1 model selected |
| 6008 | | |
| 6009 | | > select subtract #1/E:52 |
| 6010 | | |
| 6011 | | 102 atoms, 102 bonds, 13 residues, 1 model selected |
| 6012 | | |
| 6013 | | > select subtract #1/E:50 |
| 6014 | | |
| 6015 | | 93 atoms, 92 bonds, 12 residues, 1 model selected |
| 6016 | | |
| 6017 | | > select subtract #1/E:51 |
| 6018 | | |
| 6019 | | 85 atoms, 85 bonds, 11 residues, 1 model selected |
| 6020 | | |
| 6021 | | > select subtract #1/E:49 |
| 6022 | | |
| 6023 | | 80 atoms, 80 bonds, 10 residues, 1 model selected |
| 6024 | | |
| 6025 | | > show sel atoms |
| 6026 | | |
| 6027 | | > hide sel atoms |
| 6028 | | |
| 6029 | | > select #1/E:37 |
| 6030 | | |
| 6031 | | 5 atoms, 4 bonds, 1 residue, 1 model selected |
| 6032 | | |
| 6033 | | > select add #1/E:133 |
| 6034 | | |
| 6035 | | 16 atoms, 15 bonds, 2 residues, 1 model selected |
| 6036 | | |
| 6037 | | > select add #1/E:134 |
| 6038 | | |
| 6039 | | 24 atoms, 22 bonds, 3 residues, 1 model selected |
| 6040 | | |
| 6041 | | > select add #1/E:38 |
| 6042 | | |
| 6043 | | 28 atoms, 25 bonds, 4 residues, 1 model selected |
| 6044 | | |
| 6045 | | > select add #1/E:135 |
| 6046 | | |
| 6047 | | 36 atoms, 32 bonds, 5 residues, 1 model selected |
| 6048 | | |
| 6049 | | > show sel atoms |
| 6050 | | |
| 6051 | | > color sel byhetero |
| 6052 | | |
| 6053 | | > select clear |
| 6054 | | |
| 6055 | | > hide #!1 models |
| 6056 | | |
| 6057 | | > show #!6 models |
| 6058 | | |
| 6059 | | > show #!7 models |
| 6060 | | |
| 6061 | | > hide #!6 models |
| 6062 | | |
| 6063 | | > show #!6 models |
| 6064 | | |
| 6065 | | > hide #!7 models |
| 6066 | | |
| 6067 | | > show #!7 models |
| 6068 | | |
| 6069 | | > hide #!6 models |
| 6070 | | |
| 6071 | | > hide #!7 models |
| 6072 | | |
| 6073 | | > show #6.1 models |
| 6074 | | |
| 6075 | | > show #!7 models |
| 6076 | | |
| 6077 | | > hide #!6 models |
| 6078 | | |
| 6079 | | > show #!6 models |
| 6080 | | |
| 6081 | | > hide #!6 models |
| 6082 | | |
| 6083 | | > show #!6 models |
| 6084 | | |
| 6085 | | > hide #!7 models |
| 6086 | | |
| 6087 | | > show #!7 models |
| 6088 | | |
| 6089 | | > hide #!6 models |
| 6090 | | |
| 6091 | | > hide #!7 models |
| 6092 | | |
| 6093 | | > show #!6 models |
| 6094 | | |
| 6095 | | > hide #!6 models |
| 6096 | | |
| 6097 | | > show #!7 models |
| 6098 | | |
| 6099 | | > show #!6 models |
| 6100 | | |
| 6101 | | > hide #!7 models |
| 6102 | | |
| 6103 | | > show #!7 models |
| 6104 | | |
| 6105 | | > hide #!7 models |
| 6106 | | |
| 6107 | | > show #!7 models |
| 6108 | | |
| 6109 | | > hide #!6 models |
| 6110 | | |
| 6111 | | > show #!6 models |
| 6112 | | |
| 6113 | | > hide #!7 models |
| 6114 | | |
| 6115 | | > show #!7 models |
| 6116 | | |
| 6117 | | > hide #!6 models |
| 6118 | | |
| 6119 | | > hide #!7 models |
| 6120 | | |
| 6121 | | > show #!6 models |
| 6122 | | |
| 6123 | | > show #!7 models |
| 6124 | | |
| 6125 | | > hide #!7 models |
| 6126 | | |
| 6127 | | > show #!7 models |
| 6128 | | |
| 6129 | | > hide #!6 models |
| 6130 | | |
| 6131 | | > show #!6 models |
| 6132 | | |
| 6133 | | > hide #!7 models |
| 6134 | | |
| 6135 | | > hide #6.1 models |
| 6136 | | |
| 6137 | | > show #6.1 models |
| 6138 | | |
| 6139 | | > hide #6.1 models |
| 6140 | | |
| 6141 | | > hide #8 models |
| 6142 | | |
| 6143 | | > show #8 models |
| 6144 | | |
| 6145 | | > select add #8 |
| 6146 | | |
| 6147 | | 21 pseudobonds, 1 model selected |
| 6148 | | |
| 6149 | | > select add #6.1 |
| 6150 | | |
| 6151 | | 42 pseudobonds, 2 models selected |
| 6152 | | |
| 6153 | | > hide #!6 cartoons |
| 6154 | | |
| 6155 | | > show #!6 cartoons |
| 6156 | | |
| 6157 | | > hide #!6 atoms |
| 6158 | | |
| 6159 | | > select clear |
| 6160 | | |
| 6161 | | > hide #8 models |
| 6162 | | |
| 6163 | | > show #!7 models |
| 6164 | | |
| 6165 | | > select add #7 |
| 6166 | | |
| 6167 | | 3204 atoms, 3286 bonds, 20 pseudobonds, 410 residues, 2 models selected |
| 6168 | | |
| 6169 | | > hide sel atoms |
| 6170 | | |
| 6171 | | > select clear |
| 6172 | | |
| 6173 | | > hide #1.3 models |
| 6174 | | |
| 6175 | | > hide #1.2 models |
| 6176 | | |
| 6177 | | > hide #!6 models |
| 6178 | | |
| 6179 | | > hide #7.1 models |
| 6180 | | |
| 6181 | | > show #!6 models |
| 6182 | | |
| 6183 | | > hide #!6 models |
| 6184 | | |
| 6185 | | > show #!6 models |
| 6186 | | |
| 6187 | | > hide #!7 models |
| 6188 | | |
| 6189 | | > show #!7 models |
| 6190 | | |
| 6191 | | > hide #!7 models |
| 6192 | | |
| 6193 | | > show #!7 models |
| 6194 | | |
| 6195 | | > hide #!6 models |
| 6196 | | |
| 6197 | | > show #!6 models |
| 6198 | | |
| 6199 | | > lighting soft |
| 6200 | | |
| 6201 | | > hide #!6 models |
| 6202 | | |
| 6203 | | > lighting gentle |
| 6204 | | |
| 6205 | | > graphics silhouettes false |
| 6206 | | |
| 6207 | | > graphics silhouettes true |
| 6208 | | |
| 6209 | | > graphics silhouettes false |
| 6210 | | |
| 6211 | | > graphics silhouettes true |
| 6212 | | |
| 6213 | | > lighting shadows true intensity 0.5 |
| 6214 | | |
| 6215 | | > lighting shadows false |
| 6216 | | |
| 6217 | | > save view init_design |
| 6218 | | |
| 6219 | | Cannot determine format for 'view' |
| 6220 | | |
| 6221 | | > view name init_design |
| 6222 | | |
| 6223 | | > view list |
| 6224 | | |
| 6225 | | Named views: init_design, session-start |
| 6226 | | |
| 6227 | | > show #!6 models |
| 6228 | | |
| 6229 | | > hide #!7 models |
| 6230 | | |
| 6231 | | > select #6/A:68 |
| 6232 | | |
| 6233 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
| 6234 | | |
| 6235 | | > select up |
| 6236 | | |
| 6237 | | 78 atoms, 80 bonds, 9 residues, 1 model selected |
| 6238 | | |
| 6239 | | > select up |
| 6240 | | |
| 6241 | | 1416 atoms, 1454 bonds, 174 residues, 1 model selected |
| 6242 | | |
| 6243 | | > color sel pink |
| 6244 | | |
| 6245 | | [Repeated 1 time(s)] |
| 6246 | | |
| 6247 | | > color sel pale violet red |
| 6248 | | |
| 6249 | | > color sel dark sea green |
| 6250 | | |
| 6251 | | > color sel salmon |
| 6252 | | |
| 6253 | | [Repeated 1 time(s)] |
| 6254 | | |
| 6255 | | > color sel dark salmon |
| 6256 | | |
| 6257 | | > color sel coral |
| 6258 | | |
| 6259 | | > color sel pale violet red |
| 6260 | | |
| 6261 | | > select clear |
| 6262 | | |
| 6263 | | > select #6/H:20 |
| 6264 | | |
| 6265 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 6266 | | |
| 6267 | | > select up |
| 6268 | | |
| 6269 | | 42 atoms, 41 bonds, 6 residues, 1 model selected |
| 6270 | | |
| 6271 | | > select up |
| 6272 | | |
| 6273 | | 797 atoms, 812 bonds, 110 residues, 1 model selected |
| 6274 | | |
| 6275 | | > color sel pale goldenrod |
| 6276 | | |
| 6277 | | > select #6/G:4 |
| 6278 | | |
| 6279 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 6280 | | |
| 6281 | | > select up |
| 6282 | | |
| 6283 | | 33 atoms, 32 bonds, 4 residues, 1 model selected |
| 6284 | | |
| 6285 | | > select up |
| 6286 | | |
| 6287 | | 990 atoms, 1018 bonds, 126 residues, 1 model selected |
| 6288 | | |
| 6289 | | > color sel burly wood |
| 6290 | | |
| 6291 | | > color sel goldenrod |
| 6292 | | |
| 6293 | | > color sel dark goldenrod |
| 6294 | | |
| 6295 | | > select clear |
| 6296 | | |
| 6297 | | [Repeated 1 time(s)] |
| 6298 | | |
| 6299 | | > select #6/G:4 |
| 6300 | | |
| 6301 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 6302 | | |
| 6303 | | > select #6/G:107 |
| 6304 | | |
| 6305 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 6306 | | |
| 6307 | | > select up |
| 6308 | | |
| 6309 | | 181 atoms, 190 bonds, 22 residues, 1 model selected |
| 6310 | | |
| 6311 | | > select subtract #6/G:115 |
| 6312 | | |
| 6313 | | 173 atoms, 181 bonds, 21 residues, 1 model selected |
| 6314 | | |
| 6315 | | > select add #6/G:97 |
| 6316 | | |
| 6317 | | 178 atoms, 185 bonds, 22 residues, 1 model selected |
| 6318 | | |
| 6319 | | > select subtract #6/G:97 |
| 6320 | | |
| 6321 | | 173 atoms, 181 bonds, 21 residues, 1 model selected |
| 6322 | | |
| 6323 | | > select subtract #6/G:116 |
| 6324 | | |
| 6325 | | 161 atoms, 168 bonds, 20 residues, 1 model selected |
| 6326 | | |
| 6327 | | > select subtract #6/G:117 |
| 6328 | | |
| 6329 | | 147 atoms, 152 bonds, 19 residues, 1 model selected |
| 6330 | | |
| 6331 | | > select subtract #6/G:118 |
| 6332 | | |
| 6333 | | 143 atoms, 148 bonds, 18 residues, 1 model selected |
| 6334 | | |
| 6335 | | > select subtract #6/G:119 |
| 6336 | | |
| 6337 | | 134 atoms, 139 bonds, 17 residues, 1 model selected |
| 6338 | | |
| 6339 | | > select subtract #6/G:120 |
| 6340 | | |
| 6341 | | 130 atoms, 136 bonds, 16 residues, 1 model selected |
| 6342 | | |
| 6343 | | > color sel navy |
| 6344 | | |
| 6345 | | > color sel steel blue |
| 6346 | | |
| 6347 | | > color sel teal |
| 6348 | | |
| 6349 | | > color sel dark cyan |
| 6350 | | |
| 6351 | | > select clear |
| 6352 | | |
| 6353 | | > show #!7 models |
| 6354 | | |
| 6355 | | > hide #!6 models |
| 6356 | | |
| 6357 | | > select #7/H:48 |
| 6358 | | |
| 6359 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 6360 | | |
| 6361 | | > select up |
| 6362 | | |
| 6363 | | 33 atoms, 32 bonds, 4 residues, 1 model selected |
| 6364 | | |
| 6365 | | > select up |
| 6366 | | |
| 6367 | | 797 atoms, 812 bonds, 110 residues, 1 model selected |
| 6368 | | |
| 6369 | | > color sel pale goldenrod |
| 6370 | | |
| 6371 | | > select #7/G:122 |
| 6372 | | |
| 6373 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 6374 | | |
| 6375 | | > select up |
| 6376 | | |
| 6377 | | 36 atoms, 35 bonds, 5 residues, 1 model selected |
| 6378 | | |
| 6379 | | > select up |
| 6380 | | |
| 6381 | | 990 atoms, 1018 bonds, 126 residues, 1 model selected |
| 6382 | | |
| 6383 | | > select up |
| 6384 | | |
| 6385 | | 3204 atoms, 3286 bonds, 410 residues, 1 model selected |
| 6386 | | |
| 6387 | | > select down |
| 6388 | | |
| 6389 | | 990 atoms, 1018 bonds, 126 residues, 1 model selected |
| 6390 | | |
| 6391 | | > color sel goldenrod |
| 6392 | | |
| 6393 | | > select clear |
| 6394 | | |
| 6395 | | [Repeated 1 time(s)] |
| 6396 | | |
| 6397 | | > select #7/G:101 |
| 6398 | | |
| 6399 | | 14 atoms, 15 bonds, 1 residue, 1 model selected |
| 6400 | | |
| 6401 | | > select up |
| 6402 | | |
| 6403 | | 181 atoms, 190 bonds, 22 residues, 1 model selected |
| 6404 | | |
| 6405 | | > select add #7/G:98 |
| 6406 | | |
| 6407 | | 192 atoms, 200 bonds, 23 residues, 1 model selected |
| 6408 | | |
| 6409 | | > select subtract #7/G:116 |
| 6410 | | |
| 6411 | | 180 atoms, 186 bonds, 22 residues, 1 model selected |
| 6412 | | |
| 6413 | | > select subtract #7/G:117 |
| 6414 | | |
| 6415 | | 166 atoms, 170 bonds, 21 residues, 1 model selected |
| 6416 | | |
| 6417 | | > select subtract #7/G:118 |
| 6418 | | |
| 6419 | | 162 atoms, 166 bonds, 20 residues, 1 model selected |
| 6420 | | |
| 6421 | | > select subtract #7/G:119 |
| 6422 | | |
| 6423 | | 153 atoms, 157 bonds, 19 residues, 1 model selected |
| 6424 | | |
| 6425 | | > select subtract #7/G:120 |
| 6426 | | |
| 6427 | | 149 atoms, 154 bonds, 18 residues, 1 model selected |
| 6428 | | |
| 6429 | | > color sel dark cyan |
| 6430 | | |
| 6431 | | > select clear |
| 6432 | | |
| 6433 | | > view list |
| 6434 | | |
| 6435 | | Named views: init_design, session-start |
| 6436 | | |
| 6437 | | > view init_design |
| 6438 | | |
| 6439 | | > show #!6 models |
| 6440 | | |
| 6441 | | > hide #!7 models |
| 6442 | | |
| 6443 | | > show #!7 models |
| 6444 | | |
| 6445 | | > hide #!6 models |
| 6446 | | |
| 6447 | | > select #7/A:68 |
| 6448 | | |
| 6449 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
| 6450 | | |
| 6451 | | > select up |
| 6452 | | |
| 6453 | | 77 atoms, 78 bonds, 9 residues, 1 model selected |
| 6454 | | |
| 6455 | | > select up |
| 6456 | | |
| 6457 | | 1417 atoms, 1456 bonds, 174 residues, 1 model selected |
| 6458 | | |
| 6459 | | > color sel olive drab |
| 6460 | | |
| 6461 | | > color sel dark khaki |
| 6462 | | |
| 6463 | | > color sel dark sea green |
| 6464 | | |
| 6465 | | > color sel light green |
| 6466 | | |
| 6467 | | > color sel pale green |
| 6468 | | |
| 6469 | | > color sel green yellow |
| 6470 | | |
| 6471 | | > color sel forest green |
| 6472 | | |
| 6473 | | [Repeated 1 time(s)] |
| 6474 | | |
| 6475 | | > color sel green |
| 6476 | | |
| 6477 | | > color sel lime |
| 6478 | | |
| 6479 | | > color sel lawn green |
| 6480 | | |
| 6481 | | > color sel blue |
| 6482 | | |
| 6483 | | > color sel medium blue |
| 6484 | | |
| 6485 | | > color sel dark blue |
| 6486 | | |
| 6487 | | > color sel medium sea green |
| 6488 | | |
| 6489 | | > color sel sea green |
| 6490 | | |
| 6491 | | > color sel olive drab |
| 6492 | | |
| 6493 | | > color sel green |
| 6494 | | |
| 6495 | | > color sel dark blue |
| 6496 | | |
| 6497 | | > color sel navy |
| 6498 | | |
| 6499 | | > color sel indigo |
| 6500 | | |
| 6501 | | > color sel navy |
| 6502 | | |
| 6503 | | > color sel dark blue |
| 6504 | | |
| 6505 | | > color sel navy |
| 6506 | | |
| 6507 | | > color sel medium blue |
| 6508 | | |
| 6509 | | > select clear |
| 6510 | | |
| 6511 | | > select #7/A:80 |
| 6512 | | |
| 6513 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 6514 | | |
| 6515 | | > select up |
| 6516 | | |
| 6517 | | 90 atoms, 92 bonds, 11 residues, 1 model selected |
| 6518 | | |
| 6519 | | > select up |
| 6520 | | |
| 6521 | | 1417 atoms, 1456 bonds, 174 residues, 1 model selected |
| 6522 | | |
| 6523 | | > color sel dark blue |
| 6524 | | |
| 6525 | | > select clear |
| 6526 | | |
| 6527 | | > show #!6 models |
| 6528 | | |
| 6529 | | > hide #!7 models |
| 6530 | | |
| 6531 | | > select #6/A:80 |
| 6532 | | |
| 6533 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 6534 | | |
| 6535 | | > select up |
| 6536 | | |
| 6537 | | 90 atoms, 92 bonds, 11 residues, 1 model selected |
| 6538 | | |
| 6539 | | > select up |
| 6540 | | |
| 6541 | | 1416 atoms, 1454 bonds, 174 residues, 1 model selected |
| 6542 | | |
| 6543 | | > show sel surfaces |
| 6544 | | |
| 6545 | | > transparency sel 50 |
| 6546 | | |
| 6547 | | > transparency sel 70 |
| 6548 | | |
| 6549 | | > select clear |
| 6550 | | |
| 6551 | | > show #!7 models |
| 6552 | | |
| 6553 | | > hide #!6 models |
| 6554 | | |
| 6555 | | > select #7/A:36 |
| 6556 | | |
| 6557 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 6558 | | |
| 6559 | | > select up |
| 6560 | | |
| 6561 | | 74 atoms, 76 bonds, 10 residues, 1 model selected |
| 6562 | | |
| 6563 | | > select up |
| 6564 | | |
| 6565 | | 1417 atoms, 1456 bonds, 174 residues, 1 model selected |
| 6566 | | |
| 6567 | | > volume style surface |
| 6568 | | |
| 6569 | | No volumes specified |
| 6570 | | |
| 6571 | | > select clear |
| 6572 | | |
| 6573 | | > select #7/A:81 |
| 6574 | | |
| 6575 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 6576 | | |
| 6577 | | > select up |
| 6578 | | |
| 6579 | | 90 atoms, 92 bonds, 11 residues, 1 model selected |
| 6580 | | |
| 6581 | | > select up |
| 6582 | | |
| 6583 | | 1417 atoms, 1456 bonds, 174 residues, 1 model selected |
| 6584 | | |
| 6585 | | > show sel surfaces |
| 6586 | | |
| 6587 | | > transparency sel 50 |
| 6588 | | |
| 6589 | | > transparency sel 70 |
| 6590 | | |
| 6591 | | > select clear |
| 6592 | | |
| 6593 | | > show #!6 models |
| 6594 | | |
| 6595 | | > hide #6.2 models |
| 6596 | | |
| 6597 | | > show #6.2 models |
| 6598 | | |
| 6599 | | > hide #6.2 models |
| 6600 | | |
| 6601 | | > hide #!7 models |
| 6602 | | |
| 6603 | | > show #!7 models |
| 6604 | | |
| 6605 | | > show #6.2 models |
| 6606 | | |
| 6607 | | > hide #!7 models |
| 6608 | | |
| 6609 | | > hide #6.2 models |
| 6610 | | |
| 6611 | | > show #6.2 models |
| 6612 | | |
| 6613 | | > hide #!6 models |
| 6614 | | |
| 6615 | | > show #!7 models |
| 6616 | | |
| 6617 | | > show #!6 models |
| 6618 | | |
| 6619 | | > hide #!7 models |
| 6620 | | |
| 6621 | | > show #!7 models |
| 6622 | | |
| 6623 | | > hide #!6 models |
| 6624 | | |
| 6625 | | > show #!6 models |
| 6626 | | |
| 6627 | | > hide #!6 models |
| 6628 | | |
| 6629 | | > show #!6 models |
| 6630 | | |
| 6631 | | > hide #!7 models |
| 6632 | | |
| 6633 | | > show #!7 models |
| 6634 | | |
| 6635 | | > hide #!6 models |
| 6636 | | |
| 6637 | | > preset cartoons/nucleotides licorice/ovals |
| 6638 | | |
| 6639 | | Using preset: Cartoons/Nucleotides / Licorice/Ovals |
| 6640 | | Changed 0 atom styles |
| 6641 | | Preset expands to these ChimeraX commands: |
| 6642 | | |
| 6643 | | |
| 6644 | | |
| 6645 | | show nucleic |
| 6646 | | hide protein|solvent|H |
| 6647 | | surf hide |
| 6648 | | style (protein|nucleic|solvent) & @@draw_mode=0 stick |
| 6649 | | ~worm |
| 6650 | | cartoon |
| 6651 | | cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 |
| 6652 | | cartoon style ~(nucleic|strand) x round |
| 6653 | | cartoon style (nucleic|strand) x rect |
| 6654 | | cartoon style protein modeh default arrows f x round width 1 thick 1 |
| 6655 | | cartoon style nucleic x round width 1.6 thick 1.6 |
| 6656 | | nucleotides tube/slab shape ellipsoid |
| 6657 | | |
| 6658 | | |
| 6659 | | |
| 6660 | | > select #7/A:108 |
| 6661 | | |
| 6662 | | 7 atoms, 6 bonds, 1 residue, 1 model selected |
| 6663 | | |
| 6664 | | > select up |
| 6665 | | |
| 6666 | | 67 atoms, 67 bonds, 8 residues, 2 models selected |
| 6667 | | |
| 6668 | | > select up |
| 6669 | | |
| 6670 | | 1417 atoms, 1456 bonds, 174 residues, 2 models selected |
| 6671 | | |
| 6672 | | > show sel surfaces |
| 6673 | | |
| 6674 | | > show #!6 models |
| 6675 | | |
| 6676 | | > hide #!7 models |
| 6677 | | |
| 6678 | | > select #6/A:168 |
| 6679 | | |
| 6680 | | 11 atoms, 11 bonds, 1 residue, 1 model selected |
| 6681 | | |
| 6682 | | > select up |
| 6683 | | |
| 6684 | | 99 atoms, 101 bonds, 13 residues, 2 models selected |
| 6685 | | |
| 6686 | | > select up |
| 6687 | | |
| 6688 | | 1416 atoms, 1454 bonds, 174 residues, 2 models selected |
| 6689 | | |
| 6690 | | > show sel surfaces |
| 6691 | | |
| 6692 | | > select clear |
| 6693 | | |
| 6694 | | > show #!7 models |
| 6695 | | |
| 6696 | | > hide #!6 models |
| 6697 | | |
| 6698 | | > select #7/A:45@CG |
| 6699 | | |
| 6700 | | 1 atom, 1 residue, 1 model selected |
| 6701 | | |
| 6702 | | > select up |
| 6703 | | |
| 6704 | | 8 atoms, 7 bonds, 1 residue, 2 models selected |
| 6705 | | |
| 6706 | | > select up |
| 6707 | | |
| 6708 | | 129 atoms, 133 bonds, 14 residues, 2 models selected |
| 6709 | | |
| 6710 | | > select up |
| 6711 | | |
| 6712 | | 1417 atoms, 1456 bonds, 174 residues, 2 models selected |
| 6713 | | |
| 6714 | | > hide sel surfaces |
| 6715 | | |
| 6716 | | > color sel slate gray |
| 6717 | | |
| 6718 | | > color sel dim gray |
| 6719 | | |
| 6720 | | > show #!6 models |
| 6721 | | |
| 6722 | | > hide #!6 models |
| 6723 | | |
| 6724 | | > show #!6 models |
| 6725 | | |
| 6726 | | > hide #!6 models |
| 6727 | | |
| 6728 | | > hide #!7 models |
| 6729 | | |
| 6730 | | > show #!7 models |
| 6731 | | |
| 6732 | | > color sel dark orange |
| 6733 | | |
| 6734 | | > color sel chocolate |
| 6735 | | |
| 6736 | | > color sel dark red |
| 6737 | | |
| 6738 | | > color sel maroon |
| 6739 | | |
| 6740 | | > show sel surfaces |
| 6741 | | |
| 6742 | | > transparency sel 70 |
| 6743 | | |
| 6744 | | > select clear |
| 6745 | | |
| 6746 | | > show #!6 models |
| 6747 | | |
| 6748 | | > hide #!7 models |
| 6749 | | |
| 6750 | | > show #5 models |
| 6751 | | |
| 6752 | | > hide #5 models |
| 6753 | | |
| 6754 | | > show #!7 models |
| 6755 | | |
| 6756 | | > hide #!6 models |
| 6757 | | |
| 6758 | | > select #7/A:46@CA |
| 6759 | | |
| 6760 | | 1 atom, 1 residue, 1 model selected |
| 6761 | | |
| 6762 | | > select up |
| 6763 | | |
| 6764 | | 8 atoms, 7 bonds, 1 residue, 2 models selected |
| 6765 | | |
| 6766 | | > select up |
| 6767 | | |
| 6768 | | 129 atoms, 133 bonds, 14 residues, 2 models selected |
| 6769 | | |
| 6770 | | > select up |
| 6771 | | |
| 6772 | | 1417 atoms, 1456 bonds, 174 residues, 2 models selected |
| 6773 | | |
| 6774 | | > color sel medium aquamarine |
| 6775 | | |
| 6776 | | > transparency sel 70 |
| 6777 | | |
| 6778 | | > select clear |
| 6779 | | |
| 6780 | | > select #7/G:98 |
| 6781 | | |
| 6782 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 6783 | | |
| 6784 | | > select up |
| 6785 | | |
| 6786 | | 58 atoms, 59 bonds, 7 residues, 1 model selected |
| 6787 | | |
| 6788 | | > select up |
| 6789 | | |
| 6790 | | 990 atoms, 1018 bonds, 126 residues, 1 model selected |
| 6791 | | |
| 6792 | | > select down |
| 6793 | | |
| 6794 | | 58 atoms, 59 bonds, 7 residues, 1 model selected |
| 6795 | | |
| 6796 | | > select #7/G:101 |
| 6797 | | |
| 6798 | | 14 atoms, 15 bonds, 1 residue, 1 model selected |
| 6799 | | |
| 6800 | | > select up |
| 6801 | | |
| 6802 | | 181 atoms, 190 bonds, 22 residues, 1 model selected |
| 6803 | | |
| 6804 | | > select subtract #7/G:116 |
| 6805 | | |
| 6806 | | 169 atoms, 176 bonds, 21 residues, 1 model selected |
| 6807 | | |
| 6808 | | > select subtract #7/G:117 |
| 6809 | | |
| 6810 | | 155 atoms, 160 bonds, 20 residues, 1 model selected |
| 6811 | | |
| 6812 | | > select subtract #7/G:118 |
| 6813 | | |
| 6814 | | 151 atoms, 156 bonds, 19 residues, 1 model selected |
| 6815 | | |
| 6816 | | > select subtract #7/G:119 |
| 6817 | | |
| 6818 | | 142 atoms, 147 bonds, 18 residues, 1 model selected |
| 6819 | | |
| 6820 | | > select subtract #7/G:120 |
| 6821 | | |
| 6822 | | 138 atoms, 144 bonds, 17 residues, 1 model selected |
| 6823 | | |
| 6824 | | > select add #7/G:98 |
| 6825 | | |
| 6826 | | 149 atoms, 154 bonds, 18 residues, 1 model selected |
| 6827 | | |
| 6828 | | > color sel navy |
| 6829 | | |
| 6830 | | > color sel dark blue |
| 6831 | | |
| 6832 | | > color sel medium aquamarine |
| 6833 | | |
| 6834 | | > color sel blue |
| 6835 | | |
| 6836 | | > color sel medium blue |
| 6837 | | |
| 6838 | | > color sel dark blue |
| 6839 | | |
| 6840 | | > color sel navy |
| 6841 | | |
| 6842 | | > color sel indigo |
| 6843 | | |
| 6844 | | > color sel midnight blue |
| 6845 | | |
| 6846 | | > show #!6 models |
| 6847 | | |
| 6848 | | > hide #!7 models |
| 6849 | | |
| 6850 | | > hide #!6 models |
| 6851 | | |
| 6852 | | > show #!7 models |
| 6853 | | |
| 6854 | | > show #!6 models |
| 6855 | | |
| 6856 | | > hide #!7 models |
| 6857 | | |
| 6858 | | > show #!7 models |
| 6859 | | |
| 6860 | | > hide #!6 models |
| 6861 | | |
| 6862 | | > hide #!7 models |
| 6863 | | |
| 6864 | | > show #!6 models |
| 6865 | | |
| 6866 | | > select #6/G:107 |
| 6867 | | |
| 6868 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 6869 | | |
| 6870 | | > select up |
| 6871 | | |
| 6872 | | 181 atoms, 190 bonds, 22 residues, 1 model selected |
| 6873 | | |
| 6874 | | > select subtract #6/G:120 |
| 6875 | | |
| 6876 | | 177 atoms, 186 bonds, 21 residues, 1 model selected |
| 6877 | | |
| 6878 | | > select subtract #6/G:119 |
| 6879 | | |
| 6880 | | 168 atoms, 177 bonds, 20 residues, 1 model selected |
| 6881 | | |
| 6882 | | > select subtract #6/G:118 |
| 6883 | | |
| 6884 | | 164 atoms, 173 bonds, 19 residues, 1 model selected |
| 6885 | | |
| 6886 | | > select subtract #6/G:117 |
| 6887 | | |
| 6888 | | 150 atoms, 157 bonds, 18 residues, 1 model selected |
| 6889 | | |
| 6890 | | > select subtract #6/G:115 |
| 6891 | | |
| 6892 | | 142 atoms, 148 bonds, 17 residues, 1 model selected |
| 6893 | | |
| 6894 | | > select subtract #6/G:116 |
| 6895 | | |
| 6896 | | 130 atoms, 136 bonds, 16 residues, 1 model selected |
| 6897 | | |
| 6898 | | > color sel midnight blue |
| 6899 | | |
| 6900 | | > show #!7 models |
| 6901 | | |
| 6902 | | > hide #!7 models |
| 6903 | | |
| 6904 | | > select clear |
| 6905 | | |
| 6906 | | > show #!7 models |
| 6907 | | |
| 6908 | | > hide #!6 models |
| 6909 | | |
| 6910 | | > select #7/G:108 |
| 6911 | | |
| 6912 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
| 6913 | | |
| 6914 | | > select #7/G:109 |
| 6915 | | |
| 6916 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
| 6917 | | |
| 6918 | | > select #7/G:110 |
| 6919 | | |
| 6920 | | 4 atoms, 3 bonds, 1 residue, 1 model selected |
| 6921 | | |
| 6922 | | > select add #7/G:111 |
| 6923 | | |
| 6924 | | 16 atoms, 15 bonds, 2 residues, 1 model selected |
| 6925 | | |
| 6926 | | > select add #7/G:112 |
| 6927 | | |
| 6928 | | 23 atoms, 22 bonds, 3 residues, 1 model selected |
| 6929 | | |
| 6930 | | > select add #7/G:113 |
| 6931 | | |
| 6932 | | 31 atoms, 29 bonds, 4 residues, 1 model selected |
| 6933 | | |
| 6934 | | > select add #7/G:114 |
| 6935 | | |
| 6936 | | 42 atoms, 40 bonds, 5 residues, 1 model selected |
| 6937 | | |
| 6938 | | > select add #7/G:115 |
| 6939 | | |
| 6940 | | 50 atoms, 47 bonds, 6 residues, 1 model selected |
| 6941 | | |
| 6942 | | > select add #7/G:98 |
| 6943 | | |
| 6944 | | 61 atoms, 57 bonds, 7 residues, 1 model selected |
| 6945 | | |
| 6946 | | > select add #7/G:99 |
| 6947 | | |
| 6948 | | 65 atoms, 60 bonds, 8 residues, 1 model selected |
| 6949 | | |
| 6950 | | > select add #7/G:100 |
| 6951 | | |
| 6952 | | 69 atoms, 63 bonds, 9 residues, 1 model selected |
| 6953 | | |
| 6954 | | > select add #7/G:101 |
| 6955 | | |
| 6956 | | 83 atoms, 78 bonds, 10 residues, 1 model selected |
| 6957 | | |
| 6958 | | > select add #7/G:102 |
| 6959 | | |
| 6960 | | 91 atoms, 85 bonds, 11 residues, 1 model selected |
| 6961 | | |
| 6962 | | > select add #7/G:103 |
| 6963 | | |
| 6964 | | 97 atoms, 90 bonds, 12 residues, 1 model selected |
| 6965 | | |
| 6966 | | > select add #7/G:104 |
| 6967 | | |
| 6968 | | 105 atoms, 97 bonds, 13 residues, 1 model selected |
| 6969 | | |
| 6970 | | > color sel goldenrod |
| 6971 | | |
| 6972 | | > select clear |
| 6973 | | |
| 6974 | | > show #!6 models |
| 6975 | | |
| 6976 | | > hide #!7 models |
| 6977 | | |
| 6978 | | > name view init_des2 |
| 6979 | | |
| 6980 | | "init_des2": invalid atom specifier |
| 6981 | | |
| 6982 | | > view name init_des2 |
| 6983 | | |
| 6984 | | > show #!7 models |
| 6985 | | |
| 6986 | | > hide #!7 models |
| 6987 | | |
| 6988 | | > select add #6/G:114 |
| 6989 | | |
| 6990 | | 11 atoms, 11 bonds, 1 residue, 1 model selected |
| 6991 | | |
| 6992 | | > select add #6/G:99 |
| 6993 | | |
| 6994 | | 15 atoms, 14 bonds, 2 residues, 1 model selected |
| 6995 | | |
| 6996 | | > select add #6/G:100 |
| 6997 | | |
| 6998 | | 19 atoms, 17 bonds, 3 residues, 1 model selected |
| 6999 | | |
| 7000 | | > select add #6/G:101 |
| 7001 | | |
| 7002 | | 33 atoms, 32 bonds, 4 residues, 1 model selected |
| 7003 | | |
| 7004 | | > select add #6/G:102 |
| 7005 | | |
| 7006 | | 41 atoms, 39 bonds, 5 residues, 1 model selected |
| 7007 | | |
| 7008 | | > select add #6/G:105 |
| 7009 | | |
| 7010 | | 53 atoms, 51 bonds, 6 residues, 1 model selected |
| 7011 | | |
| 7012 | | > select subtract #6/G:105 |
| 7013 | | |
| 7014 | | 41 atoms, 39 bonds, 5 residues, 1 model selected |
| 7015 | | Drag select of RMSD4_NNK1.pdb_A SES surface, 12 of 169006 triangles, 1 |
| 7016 | | residues |
| 7017 | | |
| 7018 | | > select add #6/G:104 |
| 7019 | | |
| 7020 | | 55 atoms, 46 bonds, 7 residues, 1 model selected |
| 7021 | | |
| 7022 | | > select add #6/G:110 |
| 7023 | | |
| 7024 | | 59 atoms, 49 bonds, 8 residues, 1 model selected |
| 7025 | | |
| 7026 | | > select add #6/G:111 |
| 7027 | | |
| 7028 | | 71 atoms, 61 bonds, 9 residues, 1 model selected |
| 7029 | | |
| 7030 | | > select add #6/G:112 |
| 7031 | | |
| 7032 | | 78 atoms, 68 bonds, 10 residues, 1 model selected |
| 7033 | | |
| 7034 | | > select add #6/G:113 |
| 7035 | | |
| 7036 | | 86 atoms, 75 bonds, 11 residues, 1 model selected |
| 7037 | | |
| 7038 | | > color sel goldenrod |
| 7039 | | |
| 7040 | | > select clear |
| 7041 | | |
| 7042 | | [Repeated 1 time(s)] |
| 7043 | | |
| 7044 | | > select #6/G:98 |
| 7045 | | |
| 7046 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 7047 | | |
| 7048 | | > select up |
| 7049 | | |
| 7050 | | 58 atoms, 59 bonds, 7 residues, 1 model selected |
| 7051 | | |
| 7052 | | > select up |
| 7053 | | |
| 7054 | | 990 atoms, 1018 bonds, 126 residues, 1 model selected |
| 7055 | | |
| 7056 | | > select subtract #6/G:109 |
| 7057 | | |
| 7058 | | 984 atoms, 1011 bonds, 125 residues, 1 model selected |
| 7059 | | |
| 7060 | | > select subtract #6/G:108 |
| 7061 | | |
| 7062 | | 978 atoms, 1005 bonds, 124 residues, 1 model selected |
| 7063 | | |
| 7064 | | > select subtract #6/G:107 |
| 7065 | | |
| 7066 | | 970 atoms, 997 bonds, 123 residues, 1 model selected |
| 7067 | | |
| 7068 | | > select subtract #6/G:105 |
| 7069 | | |
| 7070 | | 958 atoms, 983 bonds, 122 residues, 1 model selected |
| 7071 | | |
| 7072 | | > select subtract #6/G:106 |
| 7073 | | |
| 7074 | | 946 atoms, 971 bonds, 121 residues, 1 model selected |
| 7075 | | |
| 7076 | | > color sel goldenrod |
| 7077 | | |
| 7078 | | > select clear |
| 7079 | | |
| 7080 | | > view init_des2 |
| 7081 | | |
| 7082 | | > show #!7 models |
| 7083 | | |
| 7084 | | > hide #!6 models |
| 7085 | | |
| 7086 | | > show #!6 models |
| 7087 | | |
| 7088 | | > hide #!7 models |
| 7089 | | |
| 7090 | | > show #!7 models |
| 7091 | | |
| 7092 | | > view init_des2 |
| 7093 | | |
| 7094 | | > hide #!6 models |
| 7095 | | |
| 7096 | | > select clear |
| 7097 | | |
| 7098 | | > show #!6 models |
| 7099 | | |
| 7100 | | > hide #!7 models |
| 7101 | | |
| 7102 | | > save /Users/oswanson/Desktop/Primocalins/Structures/initial_models.cxs |
| 7103 | | |
| 7104 | | Desktop color scheme is dark |
| 7105 | | Desktop color scheme is light |
| 7106 | | Desktop color scheme is dark |
| 7107 | | Desktop color scheme is light |
| 7108 | | Desktop color scheme is dark |
| 7109 | | Desktop color scheme is light |
| 7110 | | |
| 7111 | | > show #!1 models |
| 7112 | | |
| 7113 | | > hide #!6 models |
| 7114 | | |
| 7115 | | > show #!3 models |
| 7116 | | |
| 7117 | | > hide #!3 models |
| 7118 | | |
| 7119 | | > show #1.2 models |
| 7120 | | |
| 7121 | | > show #1.3 models |
| 7122 | | |
| 7123 | | > select add #1.3 |
| 7124 | | |
| 7125 | | 64 pseudobonds, 1 model selected |
| 7126 | | |
| 7127 | | > show #!1 atoms |
| 7128 | | |
| 7129 | | > select up |
| 7130 | | |
| 7131 | | 71 pseudobonds, 3 models selected |
| 7132 | | |
| 7133 | | > select #1/E:36@CA |
| 7134 | | |
| 7135 | | 1 atom, 1 residue, 1 model selected |
| 7136 | | |
| 7137 | | > select #1/E:36 |
| 7138 | | |
| 7139 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 7140 | | |
| 7141 | | > select add #1/H:111B |
| 7142 | | |
| 7143 | | 20 atoms, 19 bonds, 2 residues, 1 model selected |
| 7144 | | |
| 7145 | | > select add #1/E:50 |
| 7146 | | |
| 7147 | | 29 atoms, 27 bonds, 1 pseudobond, 3 residues, 2 models selected |
| 7148 | | |
| 7149 | | > select add #1/E:49 |
| 7150 | | |
| 7151 | | 34 atoms, 31 bonds, 1 pseudobond, 4 residues, 2 models selected |
| 7152 | | |
| 7153 | | > select add #1/H:111C |
| 7154 | | |
| 7155 | | 46 atoms, 43 bonds, 1 pseudobond, 5 residues, 2 models selected |
| 7156 | | |
| 7157 | | > select add #1/H:109 |
| 7158 | | |
| 7159 | | 60 atoms, 58 bonds, 1 pseudobond, 6 residues, 2 models selected |
| 7160 | | |
| 7161 | | > select add #1/E:128 |
| 7162 | | |
| 7163 | | 68 atoms, 65 bonds, 1 pseudobond, 7 residues, 2 models selected |
| 7164 | | |
| 7165 | | > select add #1/E:68 |
| 7166 | | |
| 7167 | | 76 atoms, 72 bonds, 1 pseudobond, 8 residues, 2 models selected |
| 7168 | | |
| 7169 | | > select add #1/H:59 |
| 7170 | | |
| 7171 | | 84 atoms, 79 bonds, 1 pseudobond, 9 residues, 2 models selected |
| 7172 | | |
| 7173 | | > select add #1/H:62 |
| 7174 | | |
| 7175 | | 90 atoms, 84 bonds, 1 pseudobond, 10 residues, 2 models selected |
| 7176 | | |
| 7177 | | > select add #1/H:110 |
| 7178 | | |
| 7179 | | 98 atoms, 91 bonds, 1 pseudobond, 11 residues, 2 models selected |
| 7180 | | |
| 7181 | | > select add #1/E:72 |
| 7182 | | |
| 7183 | | 105 atoms, 98 bonds, 1 pseudobond, 12 residues, 2 models selected |
| 7184 | | |
| 7185 | | > select add #1/H:66 |
| 7186 | | |
| 7187 | | 113 atoms, 105 bonds, 1 pseudobond, 13 residues, 2 models selected |
| 7188 | | |
| 7189 | | > select add #1/E:74 |
| 7190 | | |
| 7191 | | 122 atoms, 113 bonds, 1 pseudobond, 14 residues, 2 models selected |
| 7192 | | |
| 7193 | | > select add #1/H:112D |
| 7194 | | |
| 7195 | | 130 atoms, 120 bonds, 1 pseudobond, 15 residues, 2 models selected |
| 7196 | | |
| 7197 | | > select add #1/E:52 |
| 7198 | | |
| 7199 | | 141 atoms, 131 bonds, 1 pseudobond, 16 residues, 2 models selected |
| 7200 | | |
| 7201 | | > select add #1/H:111A |
| 7202 | | |
| 7203 | | 149 atoms, 138 bonds, 1 pseudobond, 17 residues, 2 models selected |
| 7204 | | |
| 7205 | | > select ~sel & ##selected |
| 7206 | | |
| 7207 | | 4498 atoms, 4613 bonds, 41 pseudobonds, 591 residues, 4 models selected |
| 7208 | | |
| 7209 | | > hide sel atoms |
| 7210 | | |
| 7211 | | > undo |
| 7212 | | |
| 7213 | | > redo |
| 7214 | | |
| 7215 | | > select clear |
| 7216 | | |
| 7217 | | > select #1/H:111C |
| 7218 | | |
| 7219 | | 12 atoms, 12 bonds, 1 residue, 1 model selected |
| 7220 | | |
| 7221 | | > hide sel atoms |
| 7222 | | |
| 7223 | | > select clear |
| 7224 | | |
| 7225 | | > select add #1.3 |
| 7226 | | |
| 7227 | | 64 pseudobonds, 1 model selected |
| 7228 | | |
| 7229 | | > select add #1.2 |
| 7230 | | |
| 7231 | | 70 pseudobonds, 2 models selected |
| 7232 | | |
| 7233 | | > view orient |
| 7234 | | |
| 7235 | | > select subtract #1.3 |
| 7236 | | |
| 7237 | | 6 pseudobonds, 1 model selected |
| 7238 | | |
| 7239 | | > select subtract #1.2 |
| 7240 | | |
| 7241 | | Nothing selected |
| 7242 | | |
| 7243 | | > select #1/H:111C |
| 7244 | | |
| 7245 | | 12 atoms, 12 bonds, 1 residue, 1 model selected |
| 7246 | | |
| 7247 | | > select up |
| 7248 | | |
| 7249 | | 181 atoms, 190 bonds, 22 residues, 1 model selected |
| 7250 | | |
| 7251 | | > select up |
| 7252 | | |
| 7253 | | 1725 atoms, 1772 bonds, 228 residues, 1 model selected |
| 7254 | | |
| 7255 | | > select up |
| 7256 | | |
| 7257 | | 4647 atoms, 4757 bonds, 608 residues, 1 model selected |
| 7258 | | |
| 7259 | | > select down |
| 7260 | | |
| 7261 | | 1725 atoms, 1772 bonds, 228 residues, 1 model selected |
| 7262 | | |
| 7263 | | > style sel sphere |
| 7264 | | |
| 7265 | | Changed 1725 atom styles |
| 7266 | | |
| 7267 | | > select up |
| 7268 | | |
| 7269 | | 4647 atoms, 4757 bonds, 608 residues, 1 model selected |
| 7270 | | |
| 7271 | | > style sel sphere |
| 7272 | | |
| 7273 | | Changed 4647 atom styles |
| 7274 | | |
| 7275 | | > style sel ball |
| 7276 | | |
| 7277 | | Changed 4647 atom styles |
| 7278 | | |
| 7279 | | > nucleotides sel atoms |
| 7280 | | |
| 7281 | | > style nucleic & sel stick |
| 7282 | | |
| 7283 | | Changed 0 atom styles |
| 7284 | | |
| 7285 | | > nucleotides sel atoms |
| 7286 | | |
| 7287 | | > style nucleic & sel stick |
| 7288 | | |
| 7289 | | Changed 0 atom styles |
| 7290 | | |
| 7291 | | > style sel stick |
| 7292 | | |
| 7293 | | Changed 4647 atom styles |
| 7294 | | |
| 7295 | | > hide #1.3 models |
| 7296 | | |
| 7297 | | > open |
| 7298 | | > /Users/oswanson/Desktop/Primocalins/Structures/folds_2025_11_03_22_26/y513_gspy_uca3_notags/fold_y513_gspy_uca3_notags_full_data_0.json |
| 7299 | | |
| 7300 | | Failed opening file |
| 7301 | | /Users/oswanson/Desktop/Primocalins/Structures/folds_2025_11_03_22_26/y513_gspy_uca3_notags/fold_y513_gspy_uca3_notags_full_data_0.json: |
| 7302 | | Opening an AlphaFold PAE file requires first opening the predicted atomic |
| 7303 | | model. Did not find an open atomic model from the same directory. If the |
| 7304 | | atomic model is already open choose it using menu |
| 7305 | | |
| 7306 | | Tools / Structure Prediction / AlphaFold Error Plot |
| 7307 | | |
| 7308 | | or use the open command structure option, for example |
| 7309 | | |
| 7310 | | open |
| 7311 | | /Users/oswanson/Desktop/Primocalins/Structures/folds_2025_11_03_22_26/y513_gspy_uca3_notags/fold_y513_gspy_uca3_notags_full_data_0.json |
| 7312 | | structure #1 |
| 7313 | | |
| 7314 | | If you are trying to open a JSON file that is not AlphaFold PAE data then you |
| 7315 | | need to specify the specific JSON format such as |
| 7316 | | |
| 7317 | | open mole_channels.json format mole |
| 7318 | | |
| 7319 | | > open |
| 7320 | | > /Users/oswanson/Desktop/Primocalins/Structures/folds_2025_11_03_22_26/y513_gspy_uca3_notags/fold_y513_gspy_uca3_notags_model_0.cif |
| 7321 | | |
| 7322 | | Chain information for fold_y513_gspy_uca3_notags_model_0.cif #9 |
| 7323 | | --- |
| 7324 | | Chain | Description |
| 7325 | | A | . |
| 7326 | | B | . |
| 7327 | | C | . |
| 7328 | | |
| 7329 | | Computing secondary structure |
| 7330 | | |
| 7331 | | > open |
| 7332 | | > /Users/oswanson/Desktop/Primocalins/Structures/folds_2025_11_03_22_26/poly310_uca3/fold_poly310_uca3_model_0.cif |
| 7333 | | |
| 7334 | | Chain information for fold_poly310_uca3_model_0.cif #10 |
| 7335 | | --- |
| 7336 | | Chain | Description |
| 7337 | | A | . |
| 7338 | | B | . |
| 7339 | | C | . |
| 7340 | | |
| 7341 | | Computing secondary structure |
| 7342 | | |
| 7343 | | > open |
| 7344 | | > /Users/oswanson/Desktop/Primocalins/Structures/folds_2025_11_03_22_26/poly28_uca3/fold_poly28_uca3_model_0.cif |
| 7345 | | |
| 7346 | | Chain information for fold_poly28_uca3_model_0.cif #11 |
| 7347 | | --- |
| 7348 | | Chain | Description |
| 7349 | | A | . |
| 7350 | | B | . |
| 7351 | | C | . |
| 7352 | | |
| 7353 | | Computing secondary structure |
| 7354 | | |
| 7355 | | > ui tool show Matchmaker |
| 7356 | | |
| 7357 | | > select #1/E:132 |
| 7358 | | |
| 7359 | | 9 atoms, 8 bonds, 1 residue, 1 model selected |
| 7360 | | |
| 7361 | | > select up |
| 7362 | | |
| 7363 | | 63 atoms, 63 bonds, 8 residues, 1 model selected |
| 7364 | | |
| 7365 | | > select up |
| 7366 | | |
| 7367 | | 604 atoms, 618 bonds, 74 residues, 1 model selected |
| 7368 | | |
| 7369 | | > select up |
| 7370 | | |
| 7371 | | 616 atoms, 629 bonds, 76 residues, 1 model selected |
| 7372 | | |
| 7373 | | > select up |
| 7374 | | |
| 7375 | | 1313 atoms, 1346 bonds, 164 residues, 1 model selected |
| 7376 | | |
| 7377 | | > matchmaker #9-11 to #1 & sel |
| 7378 | | |
| 7379 | | Parameters |
| 7380 | | --- |
| 7381 | | Chain pairing | bb |
| 7382 | | Alignment algorithm | Needleman-Wunsch |
| 7383 | | Similarity matrix | BLOSUM-62 |
| 7384 | | SS fraction | 0.3 |
| 7385 | | Gap open (HH/SS/other) | 18/18/6 |
| 7386 | | Gap extend | 1 |
| 7387 | | SS matrix | | | H | S | O |
| 7388 | | ---|---|---|--- |
| 7389 | | H | 6 | -9 | -6 |
| 7390 | | S | | 6 | -6 |
| 7391 | | O | | | 4 |
| 7392 | | Iteration cutoff | 2 |
| 7393 | | |
| 7394 | | Matchmaker 231023_poly310-DH270UCA3_refine_001.pdb, chain E (#1) with |
| 7395 | | fold_y513_gspy_uca3_notags_model_0.cif, chain A (#9), sequence alignment score |
| 7396 | | = 675.4 |
| 7397 | | RMSD between 152 pruned atom pairs is 0.658 angstroms; (across all 164 pairs: |
| 7398 | | 1.656) |
| 7399 | | |
| 7400 | | Matchmaker 231023_poly310-DH270UCA3_refine_001.pdb, chain E (#1) with |
| 7401 | | fold_poly310_uca3_model_0.cif, chain A (#10), sequence alignment score = 803.4 |
| 7402 | | RMSD between 153 pruned atom pairs is 0.635 angstroms; (across all 164 pairs: |
| 7403 | | 1.380) |
| 7404 | | |
| 7405 | | Matchmaker 231023_poly310-DH270UCA3_refine_001.pdb, chain E (#1) with |
| 7406 | | fold_poly28_uca3_model_0.cif, chain A (#11), sequence alignment score = 766 |
| 7407 | | RMSD between 157 pruned atom pairs is 0.633 angstroms; (across all 164 pairs: |
| 7408 | | 1.406) |
| 7409 | | |
| 7410 | | |
| 7411 | | > hide #9 models |
| 7412 | | |
| 7413 | | > hide #11 models |
| 7414 | | |
| 7415 | | > show #11 models |
| 7416 | | |
| 7417 | | > hide #10 models |
| 7418 | | |
| 7419 | | > show #!6 models |
| 7420 | | |
| 7421 | | > hide #!6 models |
| 7422 | | |
| 7423 | | > show #5 models |
| 7424 | | |
| 7425 | | > hide #5 models |
| 7426 | | |
| 7427 | | > show #4 models |
| 7428 | | |
| 7429 | | > hide #4 models |
| 7430 | | |
| 7431 | | > show #4 models |
| 7432 | | |
| 7433 | | > hide #4 models |
| 7434 | | |
| 7435 | | > show #4 models |
| 7436 | | |
| 7437 | | > hide #4 models |
| 7438 | | |
| 7439 | | > show #9 models |
| 7440 | | |
| 7441 | | > hide #11 models |
| 7442 | | |
| 7443 | | > show #2 models |
| 7444 | | |
| 7445 | | > matchmaker #2 to #1 & sel |
| 7446 | | |
| 7447 | | Parameters |
| 7448 | | --- |
| 7449 | | Chain pairing | bb |
| 7450 | | Alignment algorithm | Needleman-Wunsch |
| 7451 | | Similarity matrix | BLOSUM-62 |
| 7452 | | SS fraction | 0.3 |
| 7453 | | Gap open (HH/SS/other) | 18/18/6 |
| 7454 | | Gap extend | 1 |
| 7455 | | SS matrix | | | H | S | O |
| 7456 | | ---|---|---|--- |
| 7457 | | H | 6 | -9 | -6 |
| 7458 | | S | | 6 | -6 |
| 7459 | | O | | | 4 |
| 7460 | | Iteration cutoff | 2 |
| 7461 | | |
| 7462 | | Matchmaker 231023_poly310-DH270UCA3_refine_001.pdb, chain E (#1) with |
| 7463 | | Y513apo_refine_31.pdb, chain B (#2), sequence alignment score = 692 |
| 7464 | | RMSD between 154 pruned atom pairs is 0.689 angstroms; (across all 164 pairs: |
| 7465 | | 1.591) |
| 7466 | | |
| 7467 | | |
| 7468 | | > matchmaker #5 to #1 & sel |
| 7469 | | |
| 7470 | | Parameters |
| 7471 | | --- |
| 7472 | | Chain pairing | bb |
| 7473 | | Alignment algorithm | Needleman-Wunsch |
| 7474 | | Similarity matrix | BLOSUM-62 |
| 7475 | | SS fraction | 0.3 |
| 7476 | | Gap open (HH/SS/other) | 18/18/6 |
| 7477 | | Gap extend | 1 |
| 7478 | | SS matrix | | | H | S | O |
| 7479 | | ---|---|---|--- |
| 7480 | | H | 6 | -9 | -6 |
| 7481 | | S | | 6 | -6 |
| 7482 | | O | | | 4 |
| 7483 | | Iteration cutoff | 2 |
| 7484 | | |
| 7485 | | Matchmaker 231023_poly310-DH270UCA3_refine_001.pdb, chain E (#1) with |
| 7486 | | design_start.pdb, chain A (#5), sequence alignment score = 709.7 |
| 7487 | | RMSD between 150 pruned atom pairs is 0.630 angstroms; (across all 164 pairs: |
| 7488 | | 1.402) |
| 7489 | | |
| 7490 | | |
| 7491 | | > show #5 models |
| 7492 | | |
| 7493 | | > hide #2 models |
| 7494 | | |
| 7495 | | > hide #9 models |
| 7496 | | |
| 7497 | | > hide #5 models |
| 7498 | | |
| 7499 | | > show #5 models |
| 7500 | | |
| 7501 | | > hide #5 models |
| 7502 | | |
| 7503 | | > show #5 models |
| 7504 | | |
| 7505 | | > hide #!1 models |
| 7506 | | |
| 7507 | | > show #11 models |
| 7508 | | |
| 7509 | | > hide #11 models |
| 7510 | | |
| 7511 | | > show #9 models |
| 7512 | | |
| 7513 | | > hide #9 models |
| 7514 | | |
| 7515 | | > show #!1 models |
| 7516 | | |
| 7517 | | > show #2 models |
| 7518 | | |
| 7519 | | > hide #!1 models |
| 7520 | | |
| 7521 | | > hide #5 models |
| 7522 | | |
| 7523 | | > show #9 models |
| 7524 | | |
| 7525 | | > hide #1.2 models |
| 7526 | | |
| 7527 | | > hide #2 models |
| 7528 | | |
| 7529 | | > show #2 models |
| 7530 | | |
| 7531 | | > hide #2 models |
| 7532 | | |
| 7533 | | > show #2 models |
| 7534 | | |
| 7535 | | > hide #2 models |
| 7536 | | |
| 7537 | | > show #2 models |
| 7538 | | |
| 7539 | | > hide #2 models |
| 7540 | | |
| 7541 | | > select #9/A:85 |
| 7542 | | |
| 7543 | | 10 atoms, 10 bonds, 1 residue, 1 model selected |
| 7544 | | |
| 7545 | | > select up |
| 7546 | | |
| 7547 | | 93 atoms, 96 bonds, 11 residues, 1 model selected |
| 7548 | | |
| 7549 | | > select up |
| 7550 | | |
| 7551 | | 1449 atoms, 1487 bonds, 184 residues, 1 model selected |
| 7552 | | |
| 7553 | | > color bfactor sel |
| 7554 | | |
| 7555 | | 1449 atoms, 184 residues, atom bfactor range 15.7 to 97.6 |
| 7556 | | |
| 7557 | | > select clear |
| 7558 | | |
| 7559 | | [Repeated 1 time(s)] |
| 7560 | | |
| 7561 | | > select #9/A:3 |
| 7562 | | |
| 7563 | | 11 atoms, 11 bonds, 1 residue, 1 model selected |
| 7564 | | |
| 7565 | | > select up |
| 7566 | | |
| 7567 | | 129 atoms, 134 bonds, 18 residues, 1 model selected |
| 7568 | | |
| 7569 | | > select subtract #9/A:18 |
| 7570 | | |
| 7571 | | 122 atoms, 126 bonds, 17 residues, 1 model selected |
| 7572 | | |
| 7573 | | > select subtract #9/A:17 |
| 7574 | | |
| 7575 | | 115 atoms, 118 bonds, 16 residues, 1 model selected |
| 7576 | | |
| 7577 | | > select subtract #9/A:16 |
| 7578 | | |
| 7579 | | 110 atoms, 113 bonds, 15 residues, 1 model selected |
| 7580 | | |
| 7581 | | > select subtract #9/A:15 |
| 7582 | | |
| 7583 | | 103 atoms, 105 bonds, 14 residues, 1 model selected |
| 7584 | | |
| 7585 | | > select subtract #9/A:14 |
| 7586 | | |
| 7587 | | 95 atoms, 97 bonds, 13 residues, 1 model selected |
| 7588 | | |
| 7589 | | > select subtract #9/A:13 |
| 7590 | | |
| 7591 | | 90 atoms, 92 bonds, 12 residues, 1 model selected |
| 7592 | | |
| 7593 | | > hide sel cartoons |
| 7594 | | |
| 7595 | | > select #9/A:86 |
| 7596 | | |
| 7597 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 7598 | | |
| 7599 | | > select up |
| 7600 | | |
| 7601 | | 93 atoms, 96 bonds, 11 residues, 1 model selected |
| 7602 | | |
| 7603 | | > select up |
| 7604 | | |
| 7605 | | 1449 atoms, 1487 bonds, 184 residues, 1 model selected |
| 7606 | | |
| 7607 | | > ui tool show Contacts |
| 7608 | | |
| 7609 | | > contacts sel restrict cross interModel false intraMol false |
| 7610 | | > ignoreHiddenModels true select true color #ff2600 name contacts_AF3_Y513 |
| 7611 | | > reveal true log true |
| 7612 | | |
| 7613 | | |
| 7614 | | Allowed overlap: -0.4 |
| 7615 | | H-bond overlap reduction: 0.4 |
| 7616 | | Ignore contacts between atoms separated by 4 bonds or less |
| 7617 | | Detect intra-residue contacts: False |
| 7618 | | Detect intra-molecule contacts: False |
| 7619 | | |
| 7620 | | 116 contacts |
| 7621 | | atom1 atom2 overlap distance |
| 7622 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 CG2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 O 1.315 1.985 |
| 7623 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLU 107 O fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 101 CD1 0.992 2.188 |
| 7624 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A MET 131 SD fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CB 0.884 2.766 |
| 7625 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ASN 135 ND2 fold_y513_gspy_uca3_notags_model_0.cif #9/B ASN 113 ND2 0.667 2.613 |
| 7626 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 CA 0.633 3.127 |
| 7627 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A PHE 112 CE2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CE2 0.606 2.914 |
| 7628 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 CG2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 C 0.598 2.892 |
| 7629 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLY 108 CA fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 32 OH 0.541 2.799 |
| 7630 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 O 0.531 2.769 |
| 7631 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B SER 109 O 0.504 2.156 |
| 7632 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A PHE 112 CZ fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CE2 0.481 3.039 |
| 7633 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 CE fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 50 CH2 0.470 3.170 |
| 7634 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A TRP 7 CH2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CD1 0.459 3.061 |
| 7635 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLN 87 NE2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 OH 0.413 2.287 |
| 7636 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 OG1 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 CA 0.412 2.928 |
| 7637 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A PHE 112 CE2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CD2 0.393 3.127 |
| 7638 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A TRP 7 CH2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CE1 0.383 3.137 |
| 7639 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLU 107 O fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 101 NE1 0.355 2.305 |
| 7640 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 CE fold_y513_gspy_uca3_notags_model_0.cif #9/C TYR 93 CE1 0.313 3.327 |
| 7641 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ARG 136 NH2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 CE2 0.258 3.142 |
| 7642 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 CG fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 50 CH2 0.199 3.441 |
| 7643 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 CE fold_y513_gspy_uca3_notags_model_0.cif #9/C TYR 93 CZ 0.198 3.292 |
| 7644 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ASP 106 CG fold_y513_gspy_uca3_notags_model_0.cif #9/B THR 28 OG1 0.193 3.147 |
| 7645 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A MET 74 SD fold_y513_gspy_uca3_notags_model_0.cif #9/B LEU 104 CD2 0.177 3.473 |
| 7646 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 C 0.135 3.355 |
| 7647 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A HIS 85 CG fold_y513_gspy_uca3_notags_model_0.cif #9/B LEU 104 CD1 0.116 3.374 |
| 7648 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLN 87 NE2 fold_y513_gspy_uca3_notags_model_0.cif #9/B LEU 104 CD2 0.112 3.408 |
| 7649 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLN 87 NE2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CZ 0.093 3.157 |
| 7650 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A VAL 4 CG1 fold_y513_gspy_uca3_notags_model_0.cif #9/B ASP 107 CG 0.089 3.671 |
| 7651 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A PHE 112 CZ fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CZ 0.084 3.286 |
| 7652 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ASP 133 OD2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 OH 0.078 2.402 |
| 7653 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LEU 109 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 101 CZ2 0.067 3.573 |
| 7654 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 CG2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 CA 0.063 3.697 |
| 7655 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A HIS 85 ND1 fold_y513_gspy_uca3_notags_model_0.cif #9/B LEU 104 CD1 0.055 3.465 |
| 7656 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 CD fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 50 CH2 0.053 3.587 |
| 7657 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A TRP 7 CZ2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CD1 0.052 3.468 |
| 7658 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLU 107 CG fold_y513_gspy_uca3_notags_model_0.cif #9/B THR 28 CB 0.044 3.716 |
| 7659 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 CE fold_y513_gspy_uca3_notags_model_0.cif #9/B SER 109 O 0.040 3.260 |
| 7660 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLN 87 CD fold_y513_gspy_uca3_notags_model_0.cif #9/B LEU 104 CD2 0.039 3.451 |
| 7661 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B SER 109 C 0.037 3.213 |
| 7662 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A MET 131 SD fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CG 0.035 3.345 |
| 7663 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ARG 136 CZ fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 CE2 0.033 3.337 |
| 7664 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ASP 133 CG fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 OH 0.022 3.318 |
| 7665 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A HIS 85 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B LEU 104 CD1 0.008 3.752 |
| 7666 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A VAL 4 CG1 fold_y513_gspy_uca3_notags_model_0.cif #9/B ASP 107 OD2 -0.019 3.319 |
| 7667 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 CB fold_y513_gspy_uca3_notags_model_0.cif #9/C LEU 34 CD1 -0.022 3.782 |
| 7668 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLU 107 C fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 101 CD1 -0.034 3.404 |
| 7669 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LEU 109 CD2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 101 CH2 -0.048 3.688 |
| 7670 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 CG2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CA -0.055 3.815 |
| 7671 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 N -0.060 3.580 |
| 7672 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 CE fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 50 CZ3 -0.069 3.709 |
| 7673 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 CE fold_y513_gspy_uca3_notags_model_0.cif #9/C TYR 93 OH -0.088 3.428 |
| 7674 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A HIS 85 CD2 fold_y513_gspy_uca3_notags_model_0.cif #9/B LEU 104 CD1 -0.089 3.729 |
| 7675 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLN 87 NE2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CE2 -0.090 3.490 |
| 7676 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 CG fold_y513_gspy_uca3_notags_model_0.cif #9/C LEU 34 CD1 -0.107 3.867 |
| 7677 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 CE fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 33 OH -0.120 3.460 |
| 7678 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ASP 106 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 27 CA -0.128 3.888 |
| 7679 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 OG1 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 C -0.128 3.198 |
| 7680 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B SER 109 N -0.140 3.420 |
| 7681 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 CG2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 N -0.140 3.660 |
| 7682 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A PHE 89 CZ fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 OH -0.142 3.362 |
| 7683 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLU 107 CG fold_y513_gspy_uca3_notags_model_0.cif #9/B THR 28 OG1 -0.147 3.487 |
| 7684 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ARG 136 NE fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 CE2 -0.147 3.547 |
| 7685 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A TRP 7 CZ2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CE1 -0.149 3.669 |
| 7686 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLN 87 OE1 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CE2 -0.154 3.334 |
| 7687 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 CG fold_y513_gspy_uca3_notags_model_0.cif #9/B GLY 57 CA -0.158 3.918 |
| 7688 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 CG fold_y513_gspy_uca3_notags_model_0.cif #9/C TYR 93 CE2 -0.161 3.801 |
| 7689 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 CG fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 50 CZ3 -0.165 3.805 |
| 7690 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A PHE 112 CZ fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CD2 -0.167 3.687 |
| 7691 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ASN 135 CG fold_y513_gspy_uca3_notags_model_0.cif #9/B ASN 113 ND2 -0.180 3.430 |
| 7692 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 CD fold_y513_gspy_uca3_notags_model_0.cif #9/C LEU 34 CD1 -0.183 3.943 |
| 7693 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ALA 13 CB fold_y513_gspy_uca3_notags_model_0.cif #9/C ASN 33 ND2 -0.184 3.704 |
| 7694 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A MET 131 CE fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CB -0.186 3.946 |
| 7695 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ARG 136 CB fold_y513_gspy_uca3_notags_model_0.cif #9/C GLU 52 OE2 -0.194 3.494 |
| 7696 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 CB -0.200 3.960 |
| 7697 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ASP 106 CG fold_y513_gspy_uca3_notags_model_0.cif #9/B THR 28 N -0.204 3.724 |
| 7698 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 CD fold_y513_gspy_uca3_notags_model_0.cif #9/B ASP 107 O -0.208 3.508 |
| 7699 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ARG 136 NH2 fold_y513_gspy_uca3_notags_model_0.cif #9/B SER 108 CB -0.210 3.730 |
| 7700 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LEU 109 CD2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 101 CZ2 -0.214 3.854 |
| 7701 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLU 107 C fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 101 NE1 -0.215 3.465 |
| 7702 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 33 OH -0.218 2.918 |
| 7703 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A HIS 85 CE1 fold_y513_gspy_uca3_notags_model_0.cif #9/B LEU 104 CD1 -0.219 3.859 |
| 7704 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B GLY 57 CA -0.234 3.994 |
| 7705 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A MET 131 SD fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CD2 -0.237 3.767 |
| 7706 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A VAL 4 CG1 fold_y513_gspy_uca3_notags_model_0.cif #9/B ASP 107 CB -0.243 4.003 |
| 7707 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ALA 5 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B LEU 104 O -0.254 3.554 |
| 7708 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 CE fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 33 CE1 -0.255 3.895 |
| 7709 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B SER 108 CA -0.257 3.777 |
| 7710 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ARG 136 NH1 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 111 CE2 -0.262 3.662 |
| 7711 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A PHE 112 CZ fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 OH -0.269 3.489 |
| 7712 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B SER 108 C -0.270 3.520 |
| 7713 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LEU 9 O fold_y513_gspy_uca3_notags_model_0.cif #9/B ASP 107 O -0.271 3.111 |
| 7714 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 CE fold_y513_gspy_uca3_notags_model_0.cif #9/C TYR 93 CE2 -0.272 3.912 |
| 7715 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLN 87 OE1 fold_y513_gspy_uca3_notags_model_0.cif #9/B LEU 104 CD2 -0.274 3.574 |
| 7716 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLN 87 CD fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 OH -0.286 3.356 |
| 7717 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ASN 135 CA fold_y513_gspy_uca3_notags_model_0.cif #9/C TYR 51 CE2 -0.290 3.930 |
| 7718 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A PHE 112 CE2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 CZ -0.296 3.666 |
| 7719 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLY 108 N fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 32 OH -0.298 2.998 |
| 7720 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLU 107 CG fold_y513_gspy_uca3_notags_model_0.cif #9/B THR 28 CG2 -0.300 4.060 |
| 7721 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LEU 109 CD1 fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 101 CH2 -0.301 3.941 |
| 7722 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 O fold_y513_gspy_uca3_notags_model_0.cif #9/B ASP 107 CB -0.304 3.604 |
| 7723 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LEU 109 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 101 CH2 -0.308 3.948 |
| 7724 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLU 107 O fold_y513_gspy_uca3_notags_model_0.cif #9/B TRP 101 CG -0.310 3.340 |
| 7725 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLU 107 C fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 32 OH -0.314 3.384 |
| 7726 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ARG 136 NH1 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 111 CD2 -0.323 3.723 |
| 7727 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B SER 109 CB -0.334 3.854 |
| 7728 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ASN 135 CB fold_y513_gspy_uca3_notags_model_0.cif #9/C TYR 51 CE2 -0.336 3.976 |
| 7729 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 CE fold_y513_gspy_uca3_notags_model_0.cif #9/C TYR 93 CD1 -0.339 3.979 |
| 7730 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A HIS 85 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B LEU 104 CD2 -0.347 4.107 |
| 7731 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A THR 8 OG1 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 C -0.368 3.438 |
| 7732 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B SER 109 CA -0.375 3.895 |
| 7733 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLY 108 CA fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 32 CZ -0.383 3.873 |
| 7734 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ASP 133 CB fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 OH -0.384 3.724 |
| 7735 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A PHE 89 CE1 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 OH -0.393 3.613 |
| 7736 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ASP 133 OD2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 CZ -0.396 3.426 |
| 7737 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A ASP 106 O fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 32 CE1 -0.400 3.580 |
| 7738 | | |
| 7739 | | |
| 7740 | | |
| 7741 | | 116 contacts |
| 7742 | | |
| 7743 | | > select up |
| 7744 | | |
| 7745 | | 373 atoms, 366 bonds, 41 residues, 1 model selected |
| 7746 | | |
| 7747 | | > show sel cartoons |
| 7748 | | |
| 7749 | | > select clear |
| 7750 | | |
| 7751 | | > select #9/A:9 |
| 7752 | | |
| 7753 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 7754 | | |
| 7755 | | > select up |
| 7756 | | |
| 7757 | | 129 atoms, 134 bonds, 18 residues, 1 model selected |
| 7758 | | |
| 7759 | | > select subtract #9/A:13 |
| 7760 | | |
| 7761 | | 124 atoms, 128 bonds, 17 residues, 1 model selected |
| 7762 | | |
| 7763 | | > select subtract #9/A:14 |
| 7764 | | |
| 7765 | | 116 atoms, 120 bonds, 16 residues, 1 model selected |
| 7766 | | |
| 7767 | | > select subtract #9/A:15 |
| 7768 | | |
| 7769 | | 109 atoms, 112 bonds, 15 residues, 1 model selected |
| 7770 | | |
| 7771 | | > select subtract #9/A:16 |
| 7772 | | |
| 7773 | | 104 atoms, 107 bonds, 14 residues, 1 model selected |
| 7774 | | |
| 7775 | | > select subtract #9/A:17 |
| 7776 | | |
| 7777 | | 97 atoms, 99 bonds, 13 residues, 1 model selected |
| 7778 | | |
| 7779 | | > select subtract #9/A:18 |
| 7780 | | |
| 7781 | | 90 atoms, 92 bonds, 12 residues, 1 model selected |
| 7782 | | |
| 7783 | | > hide sel atoms |
| 7784 | | |
| 7785 | | > hide sel cartoons |
| 7786 | | |
| 7787 | | > select #9/A:77 |
| 7788 | | |
| 7789 | | 11 atoms, 11 bonds, 1 residue, 1 model selected |
| 7790 | | |
| 7791 | | > select up |
| 7792 | | |
| 7793 | | 73 atoms, 74 bonds, 9 residues, 1 model selected |
| 7794 | | |
| 7795 | | > select up |
| 7796 | | |
| 7797 | | 1449 atoms, 1487 bonds, 184 residues, 1 model selected |
| 7798 | | |
| 7799 | | > ui tool show H-Bonds |
| 7800 | | |
| 7801 | | > hbonds sel color #ffd479 restrict cross interModel false distSlop 0.8 |
| 7802 | | > intraMol false intraRes false select true reveal true log true |
| 7803 | | |
| 7804 | | |
| 7805 | | Finding intramodel H-bonds |
| 7806 | | Constraints relaxed by 0.8 angstroms and 20 degrees |
| 7807 | | Models used: |
| 7808 | | 9 fold_y513_gspy_uca3_notags_model_0.cif |
| 7809 | | |
| 7810 | | 12 H-bonds |
| 7811 | | H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): |
| 7812 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 33 OH no hydrogen 2.918 N/A |
| 7813 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B ASP 107 OD1 no hydrogen 3.757 N/A |
| 7814 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 2 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B SER 109 OG no hydrogen 3.788 N/A |
| 7815 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B ASP 107 O no hydrogen 3.089 N/A |
| 7816 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A LYS 10 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/B SER 109 O no hydrogen 2.156 N/A |
| 7817 | | fold_y513_gspy_uca3_notags_model_0.cif #9/A GLN 87 NE2 fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 105 OH no hydrogen 2.287 N/A |
| 7818 | | fold_y513_gspy_uca3_notags_model_0.cif #9/B THR 28 N fold_y513_gspy_uca3_notags_model_0.cif #9/A ASP 106 O no hydrogen 3.544 N/A |
| 7819 | | fold_y513_gspy_uca3_notags_model_0.cif #9/B THR 28 OG1 fold_y513_gspy_uca3_notags_model_0.cif #9/A ASP 106 OD1 no hydrogen 2.990 N/A |
| 7820 | | fold_y513_gspy_uca3_notags_model_0.cif #9/B THR 28 OG1 fold_y513_gspy_uca3_notags_model_0.cif #9/A ASP 106 OD2 no hydrogen 2.993 N/A |
| 7821 | | fold_y513_gspy_uca3_notags_model_0.cif #9/B TYR 106 OH fold_y513_gspy_uca3_notags_model_0.cif #9/A ASP 133 OD2 no hydrogen 2.402 N/A |
| 7822 | | fold_y513_gspy_uca3_notags_model_0.cif #9/B ASP 107 N fold_y513_gspy_uca3_notags_model_0.cif #9/A LEU 9 O no hydrogen 3.520 N/A |
| 7823 | | fold_y513_gspy_uca3_notags_model_0.cif #9/C LYS 55 NZ fold_y513_gspy_uca3_notags_model_0.cif #9/A ASN 135 O no hydrogen 3.388 N/A |
| 7824 | | |
| 7825 | | |
| 7826 | | |
| 7827 | | 12 hydrogen bonds found |
| 7828 | | |
| 7829 | | > hide #9.1 models |
| 7830 | | |
| 7831 | | > select up |
| 7832 | | |
| 7833 | | 6 atoms, 3 bonds, 3 residues, 1 model selected |
| 7834 | | |
| 7835 | | > select up |
| 7836 | | |
| 7837 | | 26 atoms, 24 bonds, 3 residues, 1 model selected |
| 7838 | | |
| 7839 | | > hide sel atoms |
| 7840 | | |
| 7841 | | > show #2 models |
| 7842 | | |
| 7843 | | > select #2/B:100 |
| 7844 | | |
| 7845 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 7846 | | |
| 7847 | | > select up |
| 7848 | | |
| 7849 | | 150 atoms, 152 bonds, 21 residues, 1 model selected |
| 7850 | | |
| 7851 | | > show sel atoms |
| 7852 | | |
| 7853 | | > select clear |
| 7854 | | |
| 7855 | | > hide #2 models |
| 7856 | | |
| 7857 | | > hide #!9 models |
| 7858 | | |
| 7859 | | > show #10 models |
| 7860 | | |
| 7861 | | > select #10/A:74 |
| 7862 | | |
| 7863 | | 12 atoms, 12 bonds, 1 residue, 1 model selected |
| 7864 | | |
| 7865 | | > select up |
| 7866 | | |
| 7867 | | 70 atoms, 71 bonds, 8 residues, 1 model selected |
| 7868 | | |
| 7869 | | > select up |
| 7870 | | |
| 7871 | | 1533 atoms, 1572 bonds, 191 residues, 1 model selected |
| 7872 | | |
| 7873 | | > color bfactor sel |
| 7874 | | |
| 7875 | | 1533 atoms, 191 residues, atom bfactor range 23 to 97.7 |
| 7876 | | |
| 7877 | | > select clear |
| 7878 | | |
| 7879 | | > select #10/A:33 |
| 7880 | | |
| 7881 | | 5 atoms, 4 bonds, 1 residue, 1 model selected |
| 7882 | | |
| 7883 | | > select up |
| 7884 | | |
| 7885 | | 74 atoms, 76 bonds, 10 residues, 1 model selected |
| 7886 | | |
| 7887 | | > select up |
| 7888 | | |
| 7889 | | 1533 atoms, 1572 bonds, 191 residues, 1 model selected |
| 7890 | | |
| 7891 | | > hbonds sel color #ffd479 restrict cross interModel false distSlop 0.8 |
| 7892 | | > intraMol false intraRes false select true reveal true log true |
| 7893 | | |
| 7894 | | |
| 7895 | | Finding intramodel H-bonds |
| 7896 | | Constraints relaxed by 0.8 angstroms and 20 degrees |
| 7897 | | Models used: |
| 7898 | | 10 fold_poly310_uca3_model_0.cif |
| 7899 | | |
| 7900 | | 27 H-bonds |
| 7901 | | H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): |
| 7902 | | fold_poly310_uca3_model_0.cif #10/A HIS 1 NE2 fold_poly310_uca3_model_0.cif #10/B ASN 54 O no hydrogen 3.290 N/A |
| 7903 | | fold_poly310_uca3_model_0.cif #10/A LYS 42 NZ fold_poly310_uca3_model_0.cif #10/B THR 74 O no hydrogen 2.445 N/A |
| 7904 | | fold_poly310_uca3_model_0.cif #10/A THR 50 OG1 fold_poly310_uca3_model_0.cif #10/B TYR 105 OH no hydrogen 3.816 N/A |
| 7905 | | fold_poly310_uca3_model_0.cif #10/A LYS 70 NZ fold_poly310_uca3_model_0.cif #10/B TYR 116 OH no hydrogen 3.243 N/A |
| 7906 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 NZ fold_poly310_uca3_model_0.cif #10/B ASP 107 OD1 no hydrogen 2.708 N/A |
| 7907 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 NH1 fold_poly310_uca3_model_0.cif #10/B GLY 103 O no hydrogen 1.975 N/A |
| 7908 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 NH1 fold_poly310_uca3_model_0.cif #10/B TYR 106 O no hydrogen 3.125 N/A |
| 7909 | | fold_poly310_uca3_model_0.cif #10/A ASN 125 ND2 fold_poly310_uca3_model_0.cif #10/B THR 58 O no hydrogen 3.150 N/A |
| 7910 | | fold_poly310_uca3_model_0.cif #10/A GLU 189 N fold_poly310_uca3_model_0.cif #10/C GLU 52 OE1 no hydrogen 3.690 N/A |
| 7911 | | fold_poly310_uca3_model_0.cif #10/B THR 28 OG1 fold_poly310_uca3_model_0.cif #10/A ASP 43 OD1 no hydrogen 3.445 N/A |
| 7912 | | fold_poly310_uca3_model_0.cif #10/B THR 28 OG1 fold_poly310_uca3_model_0.cif #10/A ASP 43 OD2 no hydrogen 2.892 N/A |
| 7913 | | fold_poly310_uca3_model_0.cif #10/B THR 30 OG1 fold_poly310_uca3_model_0.cif #10/A GLU 40 OE1 no hydrogen 2.847 N/A |
| 7914 | | fold_poly310_uca3_model_0.cif #10/B THR 30 OG1 fold_poly310_uca3_model_0.cif #10/A GLU 40 OE2 no hydrogen 3.309 N/A |
| 7915 | | fold_poly310_uca3_model_0.cif #10/B TYR 33 OH fold_poly310_uca3_model_0.cif #10/A ASP 124 OD1 no hydrogen 2.574 N/A |
| 7916 | | fold_poly310_uca3_model_0.cif #10/B TYR 33 OH fold_poly310_uca3_model_0.cif #10/A ASP 124 OD2 no hydrogen 3.482 N/A |
| 7917 | | fold_poly310_uca3_model_0.cif #10/B ASN 52 ND2 fold_poly310_uca3_model_0.cif #10/A ASP 124 OD2 no hydrogen 2.754 N/A |
| 7918 | | fold_poly310_uca3_model_0.cif #10/B ASN 54 ND2 fold_poly310_uca3_model_0.cif #10/A ALA 36 O no hydrogen 2.530 N/A |
| 7919 | | fold_poly310_uca3_model_0.cif #10/B SER 55 OG fold_poly310_uca3_model_0.cif #10/A ASP 124 OD2 no hydrogen 3.777 N/A |
| 7920 | | fold_poly310_uca3_model_0.cif #10/B ARG 72 NH2 fold_poly310_uca3_model_0.cif #10/A HIS 1 NE2 no hydrogen 3.406 N/A |
| 7921 | | fold_poly310_uca3_model_0.cif #10/B ARG 98 NH1 fold_poly310_uca3_model_0.cif #10/A ASP 69 OD2 no hydrogen 2.768 N/A |
| 7922 | | fold_poly310_uca3_model_0.cif #10/B ARG 98 NH2 fold_poly310_uca3_model_0.cif #10/A ASP 69 OD2 no hydrogen 3.151 N/A |
| 7923 | | fold_poly310_uca3_model_0.cif #10/B TYR 105 OH fold_poly310_uca3_model_0.cif #10/A THR 50 OG1 no hydrogen 3.816 N/A |
| 7924 | | fold_poly310_uca3_model_0.cif #10/B TYR 105 OH fold_poly310_uca3_model_0.cif #10/A ASP 64 OD1 no hydrogen 3.083 N/A |
| 7925 | | fold_poly310_uca3_model_0.cif #10/B TYR 105 OH fold_poly310_uca3_model_0.cif #10/A ASP 64 OD2 no hydrogen 3.375 N/A |
| 7926 | | fold_poly310_uca3_model_0.cif #10/C LYS 55 NZ fold_poly310_uca3_model_0.cif #10/A TRP 187 O no hydrogen 3.072 N/A |
| 7927 | | fold_poly310_uca3_model_0.cif #10/C TYR 93 OH fold_poly310_uca3_model_0.cif #10/A ASP 96 OD2 no hydrogen 1.879 N/A |
| 7928 | | fold_poly310_uca3_model_0.cif #10/C SER 97 N fold_poly310_uca3_model_0.cif #10/A ASP 96 OD2 no hydrogen 3.403 N/A |
| 7929 | | |
| 7930 | | |
| 7931 | | |
| 7932 | | 27 hydrogen bonds found |
| 7933 | | |
| 7934 | | > show #!1 models |
| 7935 | | |
| 7936 | | > show #1.2 models |
| 7937 | | |
| 7938 | | > hide #1.2 models |
| 7939 | | |
| 7940 | | > hide #!1 models |
| 7941 | | |
| 7942 | | > select #10/A:119 |
| 7943 | | |
| 7944 | | 11 atoms, 11 bonds, 1 residue, 1 model selected |
| 7945 | | |
| 7946 | | > select up |
| 7947 | | |
| 7948 | | 72 atoms, 74 bonds, 9 residues, 1 model selected |
| 7949 | | |
| 7950 | | > select up |
| 7951 | | |
| 7952 | | 1533 atoms, 1572 bonds, 191 residues, 1 model selected |
| 7953 | | |
| 7954 | | > contacts sel restrict cross interModel false intraMol false |
| 7955 | | > ignoreHiddenModels true select true color #ff2600 name contacts_AF3_Y513 |
| 7956 | | > reveal true log true |
| 7957 | | |
| 7958 | | |
| 7959 | | Allowed overlap: -0.4 |
| 7960 | | H-bond overlap reduction: 0.4 |
| 7961 | | Ignore contacts between atoms separated by 4 bonds or less |
| 7962 | | Detect intra-residue contacts: False |
| 7963 | | Detect intra-molecule contacts: False |
| 7964 | | |
| 7965 | | 149 contacts |
| 7966 | | atom1 atom2 overlap distance |
| 7967 | | fold_poly310_uca3_model_0.cif #10/A LEU 190 CD2 fold_poly310_uca3_model_0.cif #10/B TYR 111 OH 1.410 1.930 |
| 7968 | | fold_poly310_uca3_model_0.cif #10/A ARG 77 NH2 fold_poly310_uca3_model_0.cif #10/B TYR 105 CE1 0.724 2.676 |
| 7969 | | fold_poly310_uca3_model_0.cif #10/A LEU 32 CD2 fold_poly310_uca3_model_0.cif #10/B LEU 104 CD1 0.708 3.052 |
| 7970 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 NH1 fold_poly310_uca3_model_0.cif #10/B GLY 103 O 0.685 1.975 |
| 7971 | | fold_poly310_uca3_model_0.cif #10/A ARG 77 NH1 fold_poly310_uca3_model_0.cif #10/B TYR 105 CD1 0.681 2.719 |
| 7972 | | fold_poly310_uca3_model_0.cif #10/A MET 73 SD fold_poly310_uca3_model_0.cif #10/B TRP 101 CE3 0.672 2.858 |
| 7973 | | fold_poly310_uca3_model_0.cif #10/A ASP 96 OD2 fold_poly310_uca3_model_0.cif #10/C TYR 93 OH 0.601 1.879 |
| 7974 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 CD fold_poly310_uca3_model_0.cif #10/B TYR 106 O 0.432 2.868 |
| 7975 | | fold_poly310_uca3_model_0.cif #10/A LEU 32 CD1 fold_poly310_uca3_model_0.cif #10/B LEU 104 CD1 0.425 3.335 |
| 7976 | | fold_poly310_uca3_model_0.cif #10/A LEU 190 CD1 fold_poly310_uca3_model_0.cif #10/B TYR 106 CD1 0.423 3.217 |
| 7977 | | fold_poly310_uca3_model_0.cif #10/A ASP 96 CG fold_poly310_uca3_model_0.cif #10/C TYR 93 OH 0.406 2.934 |
| 7978 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 NZ fold_poly310_uca3_model_0.cif #10/B ASP 107 CG 0.401 3.119 |
| 7979 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 NZ fold_poly310_uca3_model_0.cif #10/B GLY 110 N 0.359 2.921 |
| 7980 | | fold_poly310_uca3_model_0.cif #10/A GLU 186 CG fold_poly310_uca3_model_0.cif #10/C TYR 51 OH 0.353 2.987 |
| 7981 | | fold_poly310_uca3_model_0.cif #10/A ARG 77 NH1 fold_poly310_uca3_model_0.cif #10/B TYR 105 CE1 0.336 3.064 |
| 7982 | | fold_poly310_uca3_model_0.cif #10/A LEU 130 CD2 fold_poly310_uca3_model_0.cif #10/B LEU 104 CB 0.324 3.436 |
| 7983 | | fold_poly310_uca3_model_0.cif #10/A PHE 48 CZ fold_poly310_uca3_model_0.cif #10/B LEU 104 CD1 0.314 3.326 |
| 7984 | | fold_poly310_uca3_model_0.cif #10/A LEU 90 CD2 fold_poly310_uca3_model_0.cif #10/B TYR 105 O 0.283 3.017 |
| 7985 | | fold_poly310_uca3_model_0.cif #10/A LEU 130 CD2 fold_poly310_uca3_model_0.cif #10/B TYR 105 CD2 0.271 3.369 |
| 7986 | | fold_poly310_uca3_model_0.cif #10/A PHE 48 CE1 fold_poly310_uca3_model_0.cif #10/B LEU 104 CD1 0.262 3.378 |
| 7987 | | fold_poly310_uca3_model_0.cif #10/A ASP 96 CG fold_poly310_uca3_model_0.cif #10/C SER 96 N 0.249 3.271 |
| 7988 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CB fold_poly310_uca3_model_0.cif #10/C TYR 93 CE2 0.241 3.399 |
| 7989 | | fold_poly310_uca3_model_0.cif #10/A LEU 190 CD2 fold_poly310_uca3_model_0.cif #10/B TYR 111 CZ 0.239 3.251 |
| 7990 | | fold_poly310_uca3_model_0.cif #10/A ASP 43 OD2 fold_poly310_uca3_model_0.cif #10/B THR 28 CA 0.220 3.080 |
| 7991 | | fold_poly310_uca3_model_0.cif #10/A LYS 42 NZ fold_poly310_uca3_model_0.cif #10/B THR 74 O 0.215 2.445 |
| 7992 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CD fold_poly310_uca3_model_0.cif #10/C TYR 93 CZ 0.147 3.343 |
| 7993 | | fold_poly310_uca3_model_0.cif #10/A ASP 43 OD2 fold_poly310_uca3_model_0.cif #10/B THR 28 CG2 0.144 3.156 |
| 7994 | | fold_poly310_uca3_model_0.cif #10/A ALA 36 O fold_poly310_uca3_model_0.cif #10/B ASN 54 ND2 0.130 2.530 |
| 7995 | | fold_poly310_uca3_model_0.cif #10/A ARG 77 CZ fold_poly310_uca3_model_0.cif #10/B TYR 105 CE1 0.120 3.250 |
| 7996 | | fold_poly310_uca3_model_0.cif #10/A ASP 43 OD2 fold_poly310_uca3_model_0.cif #10/B THR 28 CB 0.119 3.181 |
| 7997 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 NH1 fold_poly310_uca3_model_0.cif #10/B GLY 103 C 0.107 3.143 |
| 7998 | | fold_poly310_uca3_model_0.cif #10/A HIS 188 ND1 fold_poly310_uca3_model_0.cif #10/C GLU 52 OE2 0.102 2.558 |
| 7999 | | fold_poly310_uca3_model_0.cif #10/A ARG 77 NH1 fold_poly310_uca3_model_0.cif #10/B TYR 106 CB 0.100 3.420 |
| 8000 | | fold_poly310_uca3_model_0.cif #10/A MET 73 SD fold_poly310_uca3_model_0.cif #10/B TRP 101 CB 0.095 3.555 |
| 8001 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CD fold_poly310_uca3_model_0.cif #10/C TYR 93 OH 0.094 3.246 |
| 8002 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 NZ fold_poly310_uca3_model_0.cif #10/B SER 109 OG 0.092 2.608 |
| 8003 | | fold_poly310_uca3_model_0.cif #10/A LEU 190 CD1 fold_poly310_uca3_model_0.cif #10/B TYR 106 CB 0.058 3.702 |
| 8004 | | fold_poly310_uca3_model_0.cif #10/A PRO 68 CG fold_poly310_uca3_model_0.cif #10/B TYR 32 OH 0.044 3.296 |
| 8005 | | fold_poly310_uca3_model_0.cif #10/A ASN 92 OD1 fold_poly310_uca3_model_0.cif #10/B ASP 107 CB 0.034 3.266 |
| 8006 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 CG fold_poly310_uca3_model_0.cif #10/B ASP 107 CG 0.031 3.729 |
| 8007 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 CZ fold_poly310_uca3_model_0.cif #10/B GLY 103 O 0.025 3.005 |
| 8008 | | fold_poly310_uca3_model_0.cif #10/A ARG 77 NH2 fold_poly310_uca3_model_0.cif #10/B TYR 105 CD1 0.014 3.386 |
| 8009 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 CD fold_poly310_uca3_model_0.cif #10/B ASP 107 CA 0.014 3.746 |
| 8010 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CD fold_poly310_uca3_model_0.cif #10/C TYR 93 CE1 0.012 3.628 |
| 8011 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 CG fold_poly310_uca3_model_0.cif #10/B ASP 107 CB -0.004 3.764 |
| 8012 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CE fold_poly310_uca3_model_0.cif #10/B ASP 107 CG -0.012 3.772 |
| 8013 | | fold_poly310_uca3_model_0.cif #10/A LEU 32 CG fold_poly310_uca3_model_0.cif #10/B LEU 104 CD1 -0.028 3.788 |
| 8014 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 NZ fold_poly310_uca3_model_0.cif #10/B SER 109 N -0.035 3.315 |
| 8015 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 O fold_poly310_uca3_model_0.cif #10/B ASP 107 OD2 -0.042 2.882 |
| 8016 | | fold_poly310_uca3_model_0.cif #10/A LEU 190 CD1 fold_poly310_uca3_model_0.cif #10/B TYR 106 CG -0.044 3.534 |
| 8017 | | fold_poly310_uca3_model_0.cif #10/A PHE 119 CD2 fold_poly310_uca3_model_0.cif #10/B TYR 105 CB -0.044 3.684 |
| 8018 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CE fold_poly310_uca3_model_0.cif #10/B GLY 110 N -0.046 3.566 |
| 8019 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 NZ fold_poly310_uca3_model_0.cif #10/B ASP 107 OD1 -0.048 2.708 |
| 8020 | | fold_poly310_uca3_model_0.cif #10/A LEU 190 CG fold_poly310_uca3_model_0.cif #10/B TYR 111 OH -0.059 3.399 |
| 8021 | | fold_poly310_uca3_model_0.cif #10/A ARG 77 CZ fold_poly310_uca3_model_0.cif #10/B TYR 105 CD1 -0.059 3.429 |
| 8022 | | fold_poly310_uca3_model_0.cif #10/A LYS 42 NZ fold_poly310_uca3_model_0.cif #10/B SER 75 CA -0.066 3.586 |
| 8023 | | fold_poly310_uca3_model_0.cif #10/A ASP 96 OD2 fold_poly310_uca3_model_0.cif #10/C TYR 93 CZ -0.069 3.099 |
| 8024 | | fold_poly310_uca3_model_0.cif #10/A ASP 124 CG fold_poly310_uca3_model_0.cif #10/B TYR 33 OH -0.070 3.410 |
| 8025 | | fold_poly310_uca3_model_0.cif #10/A GLU 40 CD fold_poly310_uca3_model_0.cif #10/B THR 30 OG1 -0.076 3.416 |
| 8026 | | fold_poly310_uca3_model_0.cif #10/A PRO 68 CB fold_poly310_uca3_model_0.cif #10/B TYR 32 OH -0.077 3.417 |
| 8027 | | fold_poly310_uca3_model_0.cif #10/A ASP 69 OD2 fold_poly310_uca3_model_0.cif #10/B VAL 2 CG2 -0.078 3.378 |
| 8028 | | fold_poly310_uca3_model_0.cif #10/A MET 73 SD fold_poly310_uca3_model_0.cif #10/B TRP 101 CD2 -0.082 3.462 |
| 8029 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 CG fold_poly310_uca3_model_0.cif #10/B ASP 107 CA -0.083 3.843 |
| 8030 | | fold_poly310_uca3_model_0.cif #10/A ASP 124 OD2 fold_poly310_uca3_model_0.cif #10/B ASN 52 ND2 -0.094 2.754 |
| 8031 | | fold_poly310_uca3_model_0.cif #10/A ASP 124 OD1 fold_poly310_uca3_model_0.cif #10/B TYR 33 OH -0.094 2.574 |
| 8032 | | fold_poly310_uca3_model_0.cif #10/A LEU 99 CD2 fold_poly310_uca3_model_0.cif #10/B ASP 107 OD2 -0.107 3.407 |
| 8033 | | fold_poly310_uca3_model_0.cif #10/A ASP 69 OD2 fold_poly310_uca3_model_0.cif #10/B ARG 98 NH1 -0.108 2.768 |
| 8034 | | fold_poly310_uca3_model_0.cif #10/A HIS 188 ND1 fold_poly310_uca3_model_0.cif #10/B TYR 111 CE2 -0.110 3.510 |
| 8035 | | fold_poly310_uca3_model_0.cif #10/A HIS 188 CE1 fold_poly310_uca3_model_0.cif #10/C GLU 52 OE2 -0.121 3.301 |
| 8036 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 CD fold_poly310_uca3_model_0.cif #10/B TYR 106 C -0.122 3.612 |
| 8037 | | fold_poly310_uca3_model_0.cif #10/A HIS 1 NE2 fold_poly310_uca3_model_0.cif #10/B ARG 72 NH2 -0.126 3.406 |
| 8038 | | fold_poly310_uca3_model_0.cif #10/A ARG 77 CD fold_poly310_uca3_model_0.cif #10/B TYR 106 CB -0.136 3.896 |
| 8039 | | fold_poly310_uca3_model_0.cif #10/A GLU 40 OE2 fold_poly310_uca3_model_0.cif #10/B THR 30 CG2 -0.141 3.441 |
| 8040 | | fold_poly310_uca3_model_0.cif #10/A ASP 64 OD2 fold_poly310_uca3_model_0.cif #10/B TYR 105 CE1 -0.143 3.323 |
| 8041 | | fold_poly310_uca3_model_0.cif #10/A ARG 77 NH1 fold_poly310_uca3_model_0.cif #10/B TYR 106 CD2 -0.145 3.545 |
| 8042 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CB fold_poly310_uca3_model_0.cif #10/C TYR 93 CZ -0.146 3.636 |
| 8043 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CG fold_poly310_uca3_model_0.cif #10/C TYR 93 CE2 -0.154 3.794 |
| 8044 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 NZ fold_poly310_uca3_model_0.cif #10/B SER 109 CB -0.164 3.684 |
| 8045 | | fold_poly310_uca3_model_0.cif #10/A MET 73 CE fold_poly310_uca3_model_0.cif #10/B TRP 101 CB -0.167 3.927 |
| 8046 | | fold_poly310_uca3_model_0.cif #10/A MET 73 SD fold_poly310_uca3_model_0.cif #10/B TRP 101 CZ3 -0.172 3.702 |
| 8047 | | fold_poly310_uca3_model_0.cif #10/A ASP 43 CG fold_poly310_uca3_model_0.cif #10/B THR 28 OG1 -0.172 3.512 |
| 8048 | | fold_poly310_uca3_model_0.cif #10/A ASP 64 CG fold_poly310_uca3_model_0.cif #10/B TYR 105 OH -0.181 3.521 |
| 8049 | | fold_poly310_uca3_model_0.cif #10/A ASP 96 OD2 fold_poly310_uca3_model_0.cif #10/C SER 96 CA -0.184 3.484 |
| 8050 | | fold_poly310_uca3_model_0.cif #10/A MET 73 CG fold_poly310_uca3_model_0.cif #10/B TRP 101 CE3 -0.188 3.828 |
| 8051 | | fold_poly310_uca3_model_0.cif #10/A ASP 69 CB fold_poly310_uca3_model_0.cif #10/B TYR 32 OH -0.189 3.529 |
| 8052 | | fold_poly310_uca3_model_0.cif #10/A ASP 69 CG fold_poly310_uca3_model_0.cif #10/B VAL 2 CG2 -0.190 3.950 |
| 8053 | | fold_poly310_uca3_model_0.cif #10/A LYS 70 CE fold_poly310_uca3_model_0.cif #10/B TYR 116 OH -0.194 3.534 |
| 8054 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 NZ fold_poly310_uca3_model_0.cif #10/B SER 109 CA -0.198 3.718 |
| 8055 | | fold_poly310_uca3_model_0.cif #10/A HIS 188 CE1 fold_poly310_uca3_model_0.cif #10/B ASN 113 ND2 -0.198 3.598 |
| 8056 | | fold_poly310_uca3_model_0.cif #10/A ASP 96 OD2 fold_poly310_uca3_model_0.cif #10/C SER 96 N -0.207 2.867 |
| 8057 | | fold_poly310_uca3_model_0.cif #10/A ASP 69 CG fold_poly310_uca3_model_0.cif #10/B ARG 98 NH1 -0.208 3.728 |
| 8058 | | fold_poly310_uca3_model_0.cif #10/A VAL 75 CG2 fold_poly310_uca3_model_0.cif #10/B TYR 106 OH -0.210 3.550 |
| 8059 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 NH1 fold_poly310_uca3_model_0.cif #10/B ILE 102 CG2 -0.212 3.732 |
| 8060 | | fold_poly310_uca3_model_0.cif #10/A ILE 93 CG2 fold_poly310_uca3_model_0.cif #10/B TYR 111 OH -0.216 3.556 |
| 8061 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 O fold_poly310_uca3_model_0.cif #10/B ASP 107 CG -0.221 3.521 |
| 8062 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CB fold_poly310_uca3_model_0.cif #10/C TYR 93 OH -0.227 3.567 |
| 8063 | | fold_poly310_uca3_model_0.cif #10/A TRP 187 C fold_poly310_uca3_model_0.cif #10/C LYS 55 NZ -0.229 3.479 |
| 8064 | | fold_poly310_uca3_model_0.cif #10/A TYR 102 CE2 fold_poly310_uca3_model_0.cif #10/B TYR 105 C -0.234 3.604 |
| 8065 | | fold_poly310_uca3_model_0.cif #10/A LEU 190 CD1 fold_poly310_uca3_model_0.cif #10/B TYR 106 CE1 -0.237 3.877 |
| 8066 | | fold_poly310_uca3_model_0.cif #10/A LEU 99 CD1 fold_poly310_uca3_model_0.cif #10/B ASP 107 OD2 -0.238 3.538 |
| 8067 | | fold_poly310_uca3_model_0.cif #10/A SER 95 N fold_poly310_uca3_model_0.cif #10/C TYR 32 CE1 -0.239 3.639 |
| 8068 | | fold_poly310_uca3_model_0.cif #10/A GLU 189 CG fold_poly310_uca3_model_0.cif #10/C LYS 55 NZ -0.242 3.762 |
| 8069 | | fold_poly310_uca3_model_0.cif #10/A ASP 96 OD1 fold_poly310_uca3_model_0.cif #10/C GLY 95 CA -0.242 3.542 |
| 8070 | | fold_poly310_uca3_model_0.cif #10/A LEU 130 CD2 fold_poly310_uca3_model_0.cif #10/B LEU 104 O -0.244 3.544 |
| 8071 | | fold_poly310_uca3_model_0.cif #10/A VAL 75 CG2 fold_poly310_uca3_model_0.cif #10/B TRP 101 CZ3 -0.245 3.885 |
| 8072 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 NZ fold_poly310_uca3_model_0.cif #10/B GLY 110 CA -0.247 3.767 |
| 8073 | | fold_poly310_uca3_model_0.cif #10/A PHE 119 CE2 fold_poly310_uca3_model_0.cif #10/B TYR 105 CD1 -0.250 3.770 |
| 8074 | | fold_poly310_uca3_model_0.cif #10/A LYS 42 NZ fold_poly310_uca3_model_0.cif #10/B THR 74 C -0.254 3.504 |
| 8075 | | fold_poly310_uca3_model_0.cif #10/A VAL 75 CG2 fold_poly310_uca3_model_0.cif #10/B TYR 106 CZ -0.257 3.747 |
| 8076 | | fold_poly310_uca3_model_0.cif #10/A HIS 1 CD2 fold_poly310_uca3_model_0.cif #10/B ARG 72 NH2 -0.261 3.661 |
| 8077 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CG fold_poly310_uca3_model_0.cif #10/C TYR 93 CZ -0.264 3.754 |
| 8078 | | fold_poly310_uca3_model_0.cif #10/A VAL 75 CG2 fold_poly310_uca3_model_0.cif #10/B TYR 106 CE2 -0.266 3.906 |
| 8079 | | fold_poly310_uca3_model_0.cif #10/A HIS 188 ND1 fold_poly310_uca3_model_0.cif #10/C GLU 52 CD -0.267 3.787 |
| 8080 | | fold_poly310_uca3_model_0.cif #10/A ASP 43 CG fold_poly310_uca3_model_0.cif #10/B THR 28 CG2 -0.271 4.031 |
| 8081 | | fold_poly310_uca3_model_0.cif #10/A ASP 96 CG fold_poly310_uca3_model_0.cif #10/C GLY 95 CA -0.279 4.039 |
| 8082 | | fold_poly310_uca3_model_0.cif #10/A ARG 77 NH1 fold_poly310_uca3_model_0.cif #10/B TYR 105 C -0.281 3.531 |
| 8083 | | fold_poly310_uca3_model_0.cif #10/A ASP 124 CG fold_poly310_uca3_model_0.cif #10/B TRP 50 CH2 -0.282 3.922 |
| 8084 | | fold_poly310_uca3_model_0.cif #10/A TRP 187 O fold_poly310_uca3_model_0.cif #10/C LYS 55 CD -0.284 3.584 |
| 8085 | | fold_poly310_uca3_model_0.cif #10/A PRO 68 CB fold_poly310_uca3_model_0.cif #10/B TRP 101 NE1 -0.286 3.806 |
| 8086 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CD fold_poly310_uca3_model_0.cif #10/C TYR 93 CE2 -0.293 3.933 |
| 8087 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CE fold_poly310_uca3_model_0.cif #10/B ASP 107 O -0.297 3.597 |
| 8088 | | fold_poly310_uca3_model_0.cif #10/A ILE 93 CG2 fold_poly310_uca3_model_0.cif #10/B TYR 111 CE1 -0.297 3.937 |
| 8089 | | fold_poly310_uca3_model_0.cif #10/A ASP 96 CG fold_poly310_uca3_model_0.cif #10/C SER 96 CA -0.298 4.058 |
| 8090 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CA fold_poly310_uca3_model_0.cif #10/C TYR 32 CE1 -0.310 3.950 |
| 8091 | | fold_poly310_uca3_model_0.cif #10/A PHE 119 CE2 fold_poly310_uca3_model_0.cif #10/B TYR 105 CG -0.310 3.680 |
| 8092 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CE fold_poly310_uca3_model_0.cif #10/B GLY 110 CA -0.322 4.082 |
| 8093 | | fold_poly310_uca3_model_0.cif #10/A TRP 187 CB fold_poly310_uca3_model_0.cif #10/C LYS 55 NZ -0.333 3.853 |
| 8094 | | fold_poly310_uca3_model_0.cif #10/A LYS 94 CE fold_poly310_uca3_model_0.cif #10/B ASP 107 OD1 -0.334 3.634 |
| 8095 | | fold_poly310_uca3_model_0.cif #10/A LYS 42 NZ fold_poly310_uca3_model_0.cif #10/B SER 75 C -0.350 3.600 |
| 8096 | | fold_poly310_uca3_model_0.cif #10/A ASP 69 OD2 fold_poly310_uca3_model_0.cif #10/B ARG 98 CZ -0.354 3.384 |
| 8097 | | fold_poly310_uca3_model_0.cif #10/A GLU 186 CG fold_poly310_uca3_model_0.cif #10/C TYR 51 CZ -0.355 3.845 |
| 8098 | | fold_poly310_uca3_model_0.cif #10/A LEU 190 CD2 fold_poly310_uca3_model_0.cif #10/B TYR 111 CE2 -0.365 4.005 |
| 8099 | | fold_poly310_uca3_model_0.cif #10/A ASP 124 CG fold_poly310_uca3_model_0.cif #10/B ASN 52 ND2 -0.366 3.886 |
| 8100 | | fold_poly310_uca3_model_0.cif #10/A ASP 124 OD1 fold_poly310_uca3_model_0.cif #10/B TYR 33 CE1 -0.366 3.546 |
| 8101 | | fold_poly310_uca3_model_0.cif #10/A HIS 188 CA fold_poly310_uca3_model_0.cif #10/C GLU 52 OE2 -0.367 3.667 |
| 8102 | | fold_poly310_uca3_model_0.cif #10/A GLU 40 OE1 fold_poly310_uca3_model_0.cif #10/B THR 30 OG1 -0.367 2.847 |
| 8103 | | fold_poly310_uca3_model_0.cif #10/A LYS 42 CE fold_poly310_uca3_model_0.cif #10/B THR 74 O -0.369 3.669 |
| 8104 | | fold_poly310_uca3_model_0.cif #10/A HIS 188 CA fold_poly310_uca3_model_0.cif #10/C LYS 55 NZ -0.371 3.891 |
| 8105 | | fold_poly310_uca3_model_0.cif #10/A PHE 119 CZ fold_poly310_uca3_model_0.cif #10/B TYR 105 CD2 -0.375 3.895 |
| 8106 | | fold_poly310_uca3_model_0.cif #10/A ASP 69 OD1 fold_poly310_uca3_model_0.cif #10/B VAL 2 CG2 -0.375 3.675 |
| 8107 | | fold_poly310_uca3_model_0.cif #10/A ASP 43 CG fold_poly310_uca3_model_0.cif #10/B THR 28 CB -0.379 4.139 |
| 8108 | | fold_poly310_uca3_model_0.cif #10/A TYR 102 CE2 fold_poly310_uca3_model_0.cif #10/B TYR 105 O -0.381 3.561 |
| 8109 | | fold_poly310_uca3_model_0.cif #10/A ARG 77 NH1 fold_poly310_uca3_model_0.cif #10/B TYR 105 O -0.381 3.041 |
| 8110 | | fold_poly310_uca3_model_0.cif #10/A ASP 124 CB fold_poly310_uca3_model_0.cif #10/B TRP 50 CH2 -0.382 4.022 |
| 8111 | | fold_poly310_uca3_model_0.cif #10/A PHE 119 CZ fold_poly310_uca3_model_0.cif #10/B TYR 105 CE2 -0.384 3.904 |
| 8112 | | fold_poly310_uca3_model_0.cif #10/A ASP 124 OD2 fold_poly310_uca3_model_0.cif #10/B ASN 52 CB -0.386 3.686 |
| 8113 | | fold_poly310_uca3_model_0.cif #10/A VAL 75 CG1 fold_poly310_uca3_model_0.cif #10/B TYR 106 CE2 -0.393 4.033 |
| 8114 | | fold_poly310_uca3_model_0.cif #10/A ARG 123 NH1 fold_poly310_uca3_model_0.cif #10/B GLY 103 N -0.393 3.673 |
| 8115 | | fold_poly310_uca3_model_0.cif #10/A PHE 119 CD2 fold_poly310_uca3_model_0.cif #10/B TYR 105 CG -0.399 3.769 |
| 8116 | | |
| 8117 | | |
| 8118 | | |
| 8119 | | 149 contacts |
| 8120 | | |
| 8121 | | > hide #10.2 models |
| 8122 | | |
| 8123 | | > hide #!10 models |
| 8124 | | |
| 8125 | | > select add #10 |
| 8126 | | |
| 8127 | | 3324 atoms, 3406 bonds, 176 pseudobonds, 428 residues, 3 models selected |
| 8128 | | |
| 8129 | | > select subtract #10 |
| 8130 | | |
| 8131 | | Nothing selected |
| 8132 | | |
| 8133 | | > show #11 models |
| 8134 | | |
| 8135 | | > select #11/A:35 |
| 8136 | | |
| 8137 | | 7 atoms, 6 bonds, 1 residue, 1 model selected |
| 8138 | | |
| 8139 | | > select up |
| 8140 | | |
| 8141 | | 74 atoms, 76 bonds, 10 residues, 1 model selected |
| 8142 | | |
| 8143 | | > select up |
| 8144 | | |
| 8145 | | 1590 atoms, 1630 bonds, 197 residues, 1 model selected |
| 8146 | | |
| 8147 | | > color bfactor sel |
| 8148 | | |
| 8149 | | 1590 atoms, 197 residues, atom bfactor range 14.1 to 97.5 |
| 8150 | | |
| 8151 | | > hbonds sel color #ffd479 restrict cross interModel false distSlop 0.8 |
| 8152 | | > intraMol false intraRes false select true reveal true log true |
| 8153 | | |
| 8154 | | |
| 8155 | | Finding intramodel H-bonds |
| 8156 | | Constraints relaxed by 0.8 angstroms and 20 degrees |
| 8157 | | Models used: |
| 8158 | | 11 fold_poly28_uca3_model_0.cif |
| 8159 | | |
| 8160 | | 8 H-bonds |
| 8161 | | H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): |
| 8162 | | fold_poly28_uca3_model_0.cif #11/A SER 7 OG fold_poly28_uca3_model_0.cif #11/C ASN 33 OD1 no hydrogen 3.348 N/A |
| 8163 | | fold_poly28_uca3_model_0.cif #11/B THR 28 OG1 fold_poly28_uca3_model_0.cif #11/A SER 101 O no hydrogen 3.603 N/A |
| 8164 | | fold_poly28_uca3_model_0.cif #11/B ASN 54 ND2 fold_poly28_uca3_model_0.cif #11/A TYR 80 O no hydrogen 3.294 N/A |
| 8165 | | fold_poly28_uca3_model_0.cif #11/B LEU 104 N fold_poly28_uca3_model_0.cif #11/A GLU 81 OE2 no hydrogen 3.487 N/A |
| 8166 | | fold_poly28_uca3_model_0.cif #11/C TYR 32 OH fold_poly28_uca3_model_0.cif #11/A GLU 46 OE1 no hydrogen 2.872 N/A |
| 8167 | | fold_poly28_uca3_model_0.cif #11/C TYR 51 OH fold_poly28_uca3_model_0.cif #11/A ASN 131 O no hydrogen 2.250 N/A |
| 8168 | | fold_poly28_uca3_model_0.cif #11/C SER 54 OG fold_poly28_uca3_model_0.cif #11/A ASP 8 OD1 no hydrogen 2.636 N/A |
| 8169 | | fold_poly28_uca3_model_0.cif #11/C SER 96 N fold_poly28_uca3_model_0.cif #11/A GLU 46 OE2 no hydrogen 3.304 N/A |
| 8170 | | |
| 8171 | | |
| 8172 | | |
| 8173 | | 8 hydrogen bonds found |
| 8174 | | |
| 8175 | | > select #11/A:138 |
| 8176 | | |
| 8177 | | 7 atoms, 6 bonds, 1 residue, 1 model selected |
| 8178 | | |
| 8179 | | > select up |
| 8180 | | |
| 8181 | | 76 atoms, 77 bonds, 9 residues, 1 model selected |
| 8182 | | |
| 8183 | | > select up |
| 8184 | | |
| 8185 | | 1590 atoms, 1630 bonds, 197 residues, 1 model selected |
| 8186 | | |
| 8187 | | > contacts sel restrict cross interModel false intraMol false |
| 8188 | | > ignoreHiddenModels true select true color #ff2600 name contacts_AF3_Y513 |
| 8189 | | > reveal true log true |
| 8190 | | |
| 8191 | | |
| 8192 | | Allowed overlap: -0.4 |
| 8193 | | H-bond overlap reduction: 0.4 |
| 8194 | | Ignore contacts between atoms separated by 4 bonds or less |
| 8195 | | Detect intra-residue contacts: False |
| 8196 | | Detect intra-molecule contacts: False |
| 8197 | | |
| 8198 | | 97 contacts |
| 8199 | | atom1 atom2 overlap distance |
| 8200 | | fold_poly28_uca3_model_0.cif #11/A LEU 136 CD2 fold_poly28_uca3_model_0.cif #11/B TYR 105 CB 0.972 2.788 |
| 8201 | | fold_poly28_uca3_model_0.cif #11/A ASN 131 CB fold_poly28_uca3_model_0.cif #11/C TYR 51 OH 0.818 2.522 |
| 8202 | | fold_poly28_uca3_model_0.cif #11/A ARG 83 NH1 fold_poly28_uca3_model_0.cif #11/B TYR 105 CE2 0.767 2.633 |
| 8203 | | fold_poly28_uca3_model_0.cif #11/A SER 70 CB fold_poly28_uca3_model_0.cif #11/B LEU 104 CD1 0.592 3.168 |
| 8204 | | fold_poly28_uca3_model_0.cif #11/A LEU 196 CD1 fold_poly28_uca3_model_0.cif #11/B ARG 72 NH2 0.548 2.972 |
| 8205 | | fold_poly28_uca3_model_0.cif #11/A LEU 196 CD2 fold_poly28_uca3_model_0.cif #11/B ARG 72 NH1 0.481 3.039 |
| 8206 | | fold_poly28_uca3_model_0.cif #11/A MET 79 CE fold_poly28_uca3_model_0.cif #11/B LEU 104 CD2 0.440 3.320 |
| 8207 | | fold_poly28_uca3_model_0.cif #11/A LEU 136 CD2 fold_poly28_uca3_model_0.cif #11/B TYR 105 CG 0.367 3.123 |
| 8208 | | fold_poly28_uca3_model_0.cif #11/A GLU 81 CB fold_poly28_uca3_model_0.cif #11/B LEU 104 CD1 0.341 3.419 |
| 8209 | | fold_poly28_uca3_model_0.cif #11/A GLU 134 OE1 fold_poly28_uca3_model_0.cif #11/B TYR 106 CE1 0.329 2.851 |
| 8210 | | fold_poly28_uca3_model_0.cif #11/A ARG 132 NH1 fold_poly28_uca3_model_0.cif #11/B TYR 111 CE2 0.304 3.096 |
| 8211 | | fold_poly28_uca3_model_0.cif #11/A LEU 9 CB fold_poly28_uca3_model_0.cif #11/C LYS 55 NZ 0.273 3.247 |
| 8212 | | fold_poly28_uca3_model_0.cif #11/A ASN 131 O fold_poly28_uca3_model_0.cif #11/C TYR 51 OH 0.230 2.250 |
| 8213 | | fold_poly28_uca3_model_0.cif #11/A LEU 44 CD1 fold_poly28_uca3_model_0.cif #11/C TYR 32 CD1 0.219 3.421 |
| 8214 | | fold_poly28_uca3_model_0.cif #11/A MET 79 SD fold_poly28_uca3_model_0.cif #11/B ILE 102 CG2 0.197 3.453 |
| 8215 | | fold_poly28_uca3_model_0.cif #11/A ARG 83 NH2 fold_poly28_uca3_model_0.cif #11/B TYR 105 CE2 0.197 3.203 |
| 8216 | | fold_poly28_uca3_model_0.cif #11/A GLU 46 OE1 fold_poly28_uca3_model_0.cif #11/C TYR 93 CE1 0.186 2.994 |
| 8217 | | fold_poly28_uca3_model_0.cif #11/A ASN 131 CA fold_poly28_uca3_model_0.cif #11/C TYR 51 OH 0.181 3.159 |
| 8218 | | fold_poly28_uca3_model_0.cif #11/A ARG 132 CZ fold_poly28_uca3_model_0.cif #11/C GLU 52 OE1 0.177 2.853 |
| 8219 | | fold_poly28_uca3_model_0.cif #11/A LEU 136 CD2 fold_poly28_uca3_model_0.cif #11/B TYR 105 CD1 0.170 3.470 |
| 8220 | | fold_poly28_uca3_model_0.cif #11/A ARG 83 NH2 fold_poly28_uca3_model_0.cif #11/B TYR 105 CZ 0.124 3.126 |
| 8221 | | fold_poly28_uca3_model_0.cif #11/A GLU 134 OE1 fold_poly28_uca3_model_0.cif #11/B TYR 106 CD1 0.120 3.060 |
| 8222 | | fold_poly28_uca3_model_0.cif #11/A ASN 131 C fold_poly28_uca3_model_0.cif #11/C TYR 51 OH 0.117 2.953 |
| 8223 | | fold_poly28_uca3_model_0.cif #11/A ASN 131 CB fold_poly28_uca3_model_0.cif #11/C TYR 51 CZ 0.113 3.377 |
| 8224 | | fold_poly28_uca3_model_0.cif #11/A ARG 132 CD fold_poly28_uca3_model_0.cif #11/C GLU 52 OE1 0.108 3.192 |
| 8225 | | fold_poly28_uca3_model_0.cif #11/A LEU 44 CD1 fold_poly28_uca3_model_0.cif #11/C LEU 34 CD1 0.106 3.654 |
| 8226 | | fold_poly28_uca3_model_0.cif #11/A GLU 46 OE1 fold_poly28_uca3_model_0.cif #11/C TYR 32 CE1 0.102 3.078 |
| 8227 | | fold_poly28_uca3_model_0.cif #11/A ASP 75 CG fold_poly28_uca3_model_0.cif #11/B TRP 50 CH2 0.098 3.542 |
| 8228 | | fold_poly28_uca3_model_0.cif #11/A ARG 83 CZ fold_poly28_uca3_model_0.cif #11/B TYR 105 CE2 0.062 3.308 |
| 8229 | | fold_poly28_uca3_model_0.cif #11/A MET 79 CE fold_poly28_uca3_model_0.cif #11/B LEU 104 CG 0.045 3.715 |
| 8230 | | fold_poly28_uca3_model_0.cif #11/A GLU 46 CD fold_poly28_uca3_model_0.cif #11/C TYR 93 OH 0.032 3.308 |
| 8231 | | fold_poly28_uca3_model_0.cif #11/A GLU 134 CD fold_poly28_uca3_model_0.cif #11/B TYR 106 CE1 -0.011 3.651 |
| 8232 | | fold_poly28_uca3_model_0.cif #11/A PHE 54 CZ fold_poly28_uca3_model_0.cif #11/B LEU 104 O -0.023 3.203 |
| 8233 | | fold_poly28_uca3_model_0.cif #11/A SER 70 C fold_poly28_uca3_model_0.cif #11/B LEU 104 CD1 -0.039 3.529 |
| 8234 | | fold_poly28_uca3_model_0.cif #11/A SER 70 O fold_poly28_uca3_model_0.cif #11/B LEU 104 CD1 -0.043 3.343 |
| 8235 | | fold_poly28_uca3_model_0.cif #11/A ASP 75 OD2 fold_poly28_uca3_model_0.cif #11/B TRP 50 CH2 -0.062 3.242 |
| 8236 | | fold_poly28_uca3_model_0.cif #11/A ARG 83 NH1 fold_poly28_uca3_model_0.cif #11/B TYR 105 CD2 -0.064 3.464 |
| 8237 | | fold_poly28_uca3_model_0.cif #11/A GLU 46 CD fold_poly28_uca3_model_0.cif #11/C TYR 32 OH -0.077 3.417 |
| 8238 | | fold_poly28_uca3_model_0.cif #11/A LEU 9 CD2 fold_poly28_uca3_model_0.cif #11/C LYS 55 NZ -0.080 3.600 |
| 8239 | | fold_poly28_uca3_model_0.cif #11/A LEU 9 CD1 fold_poly28_uca3_model_0.cif #11/C GLU 52 OE2 -0.089 3.389 |
| 8240 | | fold_poly28_uca3_model_0.cif #11/A MET 79 CG fold_poly28_uca3_model_0.cif #11/B ASN 54 ND2 -0.098 3.618 |
| 8241 | | fold_poly28_uca3_model_0.cif #11/A TYR 108 OH fold_poly28_uca3_model_0.cif #11/B TYR 105 CE2 -0.101 3.321 |
| 8242 | | fold_poly28_uca3_model_0.cif #11/A SER 7 CB fold_poly28_uca3_model_0.cif #11/C ASN 33 OD1 -0.104 3.404 |
| 8243 | | fold_poly28_uca3_model_0.cif #11/A ARG 83 NH2 fold_poly28_uca3_model_0.cif #11/B TYR 105 OH -0.121 2.821 |
| 8244 | | fold_poly28_uca3_model_0.cif #11/A LEU 9 CB fold_poly28_uca3_model_0.cif #11/C LYS 55 CE -0.127 3.887 |
| 8245 | | fold_poly28_uca3_model_0.cif #11/A PHE 125 CE1 fold_poly28_uca3_model_0.cif #11/B TYR 105 OH -0.143 3.363 |
| 8246 | | fold_poly28_uca3_model_0.cif #11/A PHE 54 CE1 fold_poly28_uca3_model_0.cif #11/B LEU 104 O -0.144 3.324 |
| 8247 | | fold_poly28_uca3_model_0.cif #11/A ALA 42 CB fold_poly28_uca3_model_0.cif #11/B TYR 111 OH -0.148 3.488 |
| 8248 | | fold_poly28_uca3_model_0.cif #11/A ASP 8 OD1 fold_poly28_uca3_model_0.cif #11/C SER 54 OG -0.156 2.636 |
| 8249 | | fold_poly28_uca3_model_0.cif #11/A SER 70 CA fold_poly28_uca3_model_0.cif #11/B LEU 104 CD1 -0.170 3.930 |
| 8250 | | fold_poly28_uca3_model_0.cif #11/A ARG 132 NE fold_poly28_uca3_model_0.cif #11/C GLU 52 CD -0.177 3.697 |
| 8251 | | fold_poly28_uca3_model_0.cif #11/A GLU 46 OE1 fold_poly28_uca3_model_0.cif #11/C TYR 32 CZ -0.182 3.212 |
| 8252 | | fold_poly28_uca3_model_0.cif #11/A MET 79 SD fold_poly28_uca3_model_0.cif #11/B ASN 52 ND2 -0.184 3.194 |
| 8253 | | fold_poly28_uca3_model_0.cif #11/A ARG 132 CZ fold_poly28_uca3_model_0.cif #11/C GLU 52 CD -0.186 3.676 |
| 8254 | | fold_poly28_uca3_model_0.cif #11/A ALA 42 O fold_poly28_uca3_model_0.cif #11/B TYR 111 OH -0.188 2.668 |
| 8255 | | fold_poly28_uca3_model_0.cif #11/A LEU 9 CD1 fold_poly28_uca3_model_0.cif #11/C GLU 52 CD -0.198 3.958 |
| 8256 | | fold_poly28_uca3_model_0.cif #11/A LEU 136 CD2 fold_poly28_uca3_model_0.cif #11/B TYR 105 CA -0.200 3.960 |
| 8257 | | fold_poly28_uca3_model_0.cif #11/A LEU 196 CD2 fold_poly28_uca3_model_0.cif #11/B ARG 72 NH2 -0.206 3.726 |
| 8258 | | fold_poly28_uca3_model_0.cif #11/A GLU 46 OE2 fold_poly28_uca3_model_0.cif #11/C GLY 95 CA -0.224 3.524 |
| 8259 | | fold_poly28_uca3_model_0.cif #11/A ARG 83 NH1 fold_poly28_uca3_model_0.cif #11/B TYR 105 CZ -0.226 3.476 |
| 8260 | | fold_poly28_uca3_model_0.cif #11/A PHE 125 CZ fold_poly28_uca3_model_0.cif #11/B TYR 105 OH -0.235 3.455 |
| 8261 | | fold_poly28_uca3_model_0.cif #11/A SER 7 OG fold_poly28_uca3_model_0.cif #11/C VAL 53 CG1 -0.238 3.578 |
| 8262 | | fold_poly28_uca3_model_0.cif #11/A LEU 38 CD2 fold_poly28_uca3_model_0.cif #11/B TYR 105 O -0.243 3.543 |
| 8263 | | fold_poly28_uca3_model_0.cif #11/A PRO 103 O fold_poly28_uca3_model_0.cif #11/B TYR 32 OH -0.244 2.724 |
| 8264 | | fold_poly28_uca3_model_0.cif #11/A SER 7 CB fold_poly28_uca3_model_0.cif #11/C ASN 33 ND2 -0.246 3.766 |
| 8265 | | fold_poly28_uca3_model_0.cif #11/A GLU 46 CD fold_poly28_uca3_model_0.cif #11/C TYR 93 CE1 -0.250 3.890 |
| 8266 | | fold_poly28_uca3_model_0.cif #11/A ASP 75 CB fold_poly28_uca3_model_0.cif #11/B GLY 57 CA -0.259 4.019 |
| 8267 | | fold_poly28_uca3_model_0.cif #11/A SER 7 CB fold_poly28_uca3_model_0.cif #11/C ASN 33 CG -0.259 3.749 |
| 8268 | | fold_poly28_uca3_model_0.cif #11/A LEU 196 CD2 fold_poly28_uca3_model_0.cif #11/B ARG 72 CZ -0.259 3.749 |
| 8269 | | fold_poly28_uca3_model_0.cif #11/A LEU 136 CD2 fold_poly28_uca3_model_0.cif #11/B TYR 105 CD2 -0.263 3.903 |
| 8270 | | fold_poly28_uca3_model_0.cif #11/A ARG 132 CD fold_poly28_uca3_model_0.cif #11/C GLU 52 CD -0.269 4.029 |
| 8271 | | fold_poly28_uca3_model_0.cif #11/A GLU 81 N fold_poly28_uca3_model_0.cif #11/B LEU 104 CD1 -0.276 3.796 |
| 8272 | | fold_poly28_uca3_model_0.cif #11/A ALA 77 CB fold_poly28_uca3_model_0.cif #11/B SER 55 O -0.282 3.582 |
| 8273 | | fold_poly28_uca3_model_0.cif #11/A ASP 75 OD1 fold_poly28_uca3_model_0.cif #11/B TRP 50 CH2 -0.283 3.463 |
| 8274 | | fold_poly28_uca3_model_0.cif #11/A THR 138 CG2 fold_poly28_uca3_model_0.cif #11/B TYR 105 CD1 -0.286 3.926 |
| 8275 | | fold_poly28_uca3_model_0.cif #11/A GLU 46 CD fold_poly28_uca3_model_0.cif #11/C GLY 95 CA -0.289 4.049 |
| 8276 | | fold_poly28_uca3_model_0.cif #11/A PHE 54 CZ fold_poly28_uca3_model_0.cif #11/B TYR 105 CA -0.291 3.931 |
| 8277 | | fold_poly28_uca3_model_0.cif #11/A ARG 132 NH1 fold_poly28_uca3_model_0.cif #11/C GLU 52 OE1 -0.302 2.962 |
| 8278 | | fold_poly28_uca3_model_0.cif #11/A LEU 196 CD1 fold_poly28_uca3_model_0.cif #11/B ARG 72 CZ -0.303 3.793 |
| 8279 | | fold_poly28_uca3_model_0.cif #11/A SER 7 OG fold_poly28_uca3_model_0.cif #11/C VAL 53 CG2 -0.304 3.644 |
| 8280 | | fold_poly28_uca3_model_0.cif #11/A LEU 9 CG fold_poly28_uca3_model_0.cif #11/C LYS 55 NZ -0.320 3.840 |
| 8281 | | fold_poly28_uca3_model_0.cif #11/A ARG 132 NE fold_poly28_uca3_model_0.cif #11/C GLU 52 OE1 -0.324 2.984 |
| 8282 | | fold_poly28_uca3_model_0.cif #11/A ASN 131 CB fold_poly28_uca3_model_0.cif #11/C TYR 51 CE1 -0.333 3.973 |
| 8283 | | fold_poly28_uca3_model_0.cif #11/A PRO 103 CB fold_poly28_uca3_model_0.cif #11/B TYR 32 OH -0.338 3.678 |
| 8284 | | fold_poly28_uca3_model_0.cif #11/A ARG 132 CG fold_poly28_uca3_model_0.cif #11/C LYS 55 NZ -0.338 3.858 |
| 8285 | | fold_poly28_uca3_model_0.cif #11/A ARG 132 NH1 fold_poly28_uca3_model_0.cif #11/B TYR 111 CD2 -0.350 3.750 |
| 8286 | | fold_poly28_uca3_model_0.cif #11/A ASP 8 OD1 fold_poly28_uca3_model_0.cif #11/C SER 54 CB -0.363 3.663 |
| 8287 | | fold_poly28_uca3_model_0.cif #11/A MET 79 CE fold_poly28_uca3_model_0.cif #11/B ILE 102 CG2 -0.367 4.127 |
| 8288 | | fold_poly28_uca3_model_0.cif #11/A ARG 130 CZ fold_poly28_uca3_model_0.cif #11/C SER 58 OG -0.368 3.438 |
| 8289 | | fold_poly28_uca3_model_0.cif #11/A ARG 83 CZ fold_poly28_uca3_model_0.cif #11/B TYR 105 OH -0.369 3.439 |
| 8290 | | fold_poly28_uca3_model_0.cif #11/A ASN 131 ND2 fold_poly28_uca3_model_0.cif #11/C PRO 57 CA -0.373 3.893 |
| 8291 | | fold_poly28_uca3_model_0.cif #11/A ASP 49 CB fold_poly28_uca3_model_0.cif #11/C SER 96 CA -0.379 4.139 |
| 8292 | | fold_poly28_uca3_model_0.cif #11/A GLU 134 CD fold_poly28_uca3_model_0.cif #11/B TYR 106 CZ -0.382 3.872 |
| 8293 | | fold_poly28_uca3_model_0.cif #11/A GLU 46 CG fold_poly28_uca3_model_0.cif #11/C TYR 93 OH -0.382 3.722 |
| 8294 | | fold_poly28_uca3_model_0.cif #11/A LEU 196 CD1 fold_poly28_uca3_model_0.cif #11/B ARG 72 NH1 -0.386 3.906 |
| 8295 | | fold_poly28_uca3_model_0.cif #11/A PHE 125 CE1 fold_poly28_uca3_model_0.cif #11/B TYR 105 CZ -0.387 3.757 |
| 8296 | | fold_poly28_uca3_model_0.cif #11/A GLU 46 OE1 fold_poly28_uca3_model_0.cif #11/C TYR 32 OH -0.392 2.872 |
| 8297 | | |
| 8298 | | |
| 8299 | | |
| 8300 | | 97 contacts |
| 8301 | | |
| 8302 | | > select clear |
| 8303 | | |
| 8304 | | > select #11/A:194 |
| 8305 | | |
| 8306 | | 10 atoms, 10 bonds, 1 residue, 1 model selected |
| 8307 | | |
| 8308 | | > select up |
| 8309 | | |
| 8310 | | 133 atoms, 136 bonds, 15 residues, 1 model selected |
| 8311 | | |
| 8312 | | > hide sel atoms |
| 8313 | | |
| 8314 | | > hide sel cartoons |
| 8315 | | |
| 8316 | | > select clear |
| 8317 | | |
| 8318 | | [Repeated 2 time(s)] |
| 8319 | | |
| 8320 | | > select #11/A:197 |
| 8321 | | |
| 8322 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 8323 | | |
| 8324 | | > hide sel cartoons |
| 8325 | | |
| 8326 | | > select #11/A:4 |
| 8327 | | |
| 8328 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 8329 | | |
| 8330 | | > select up |
| 8331 | | |
| 8332 | | 104 atoms, 107 bonds, 14 residues, 1 model selected |
| 8333 | | |
| 8334 | | > show #!1 models |
| 8335 | | |
| 8336 | | > hide #10.1 models |
| 8337 | | |
| 8338 | | > hide #!11 models |
| 8339 | | |
| 8340 | | > show #1.2 models |
| 8341 | | |
| 8342 | | > show #1.3 models |
| 8343 | | |
| 8344 | | > select #1/E:126 |
| 8345 | | |
| 8346 | | 7 atoms, 6 bonds, 1 residue, 1 model selected |
| 8347 | | |
| 8348 | | > select up |
| 8349 | | |
| 8350 | | 63 atoms, 63 bonds, 8 residues, 1 model selected |
| 8351 | | |
| 8352 | | > select up |
| 8353 | | |
| 8354 | | 604 atoms, 618 bonds, 74 residues, 1 model selected |
| 8355 | | |
| 8356 | | > select up |
| 8357 | | |
| 8358 | | 616 atoms, 629 bonds, 76 residues, 1 model selected |
| 8359 | | |
| 8360 | | > select up |
| 8361 | | |
| 8362 | | 1313 atoms, 1346 bonds, 164 residues, 1 model selected |
| 8363 | | |
| 8364 | | > hbonds sel color #ffd479 restrict cross interModel false distSlop 0.8 |
| 8365 | | > intraMol false intraRes false select true reveal true log true |
| 8366 | | |
| 8367 | | |
| 8368 | | Finding intramodel H-bonds |
| 8369 | | Constraints relaxed by 0.8 angstroms and 20 degrees |
| 8370 | | Models used: |
| 8371 | | 1 231023_poly310-DH270UCA3_refine_001.pdb |
| 8372 | | |
| 8373 | | 6 H-bonds |
| 8374 | | H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): |
| 8375 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LYS 50 N 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B O no hydrogen 2.874 N/A |
| 8376 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LYS 74 NZ 231023_poly310-DH270UCA3_refine_001.pdb #1/H THR 65 O no hydrogen 2.993 N/A |
| 8377 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LYS 74 NZ 231023_poly310-DH270UCA3_refine_001.pdb #1/H ASN 66 OD1 no hydrogen 3.440 N/A |
| 8378 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 38 OH 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 73 OD1 no hydrogen 2.679 N/A |
| 8379 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/H ASN 57 ND2 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 73 OD1 no hydrogen 3.050 N/A |
| 8380 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/H ASN 59 ND2 231023_poly310-DH270UCA3_refine_001.pdb #1/E TYR 78 O no hydrogen 3.339 N/A |
| 8381 | | |
| 8382 | | |
| 8383 | | |
| 8384 | | 6 hydrogen bonds found |
| 8385 | | |
| 8386 | | > hide #1.3 models |
| 8387 | | |
| 8388 | | > select #1/E:79 |
| 8389 | | |
| 8390 | | 7 atoms, 6 bonds, 1 residue, 1 model selected |
| 8391 | | |
| 8392 | | > select up |
| 8393 | | |
| 8394 | | 78 atoms, 80 bonds, 9 residues, 1 model selected |
| 8395 | | |
| 8396 | | > select up |
| 8397 | | |
| 8398 | | 709 atoms, 728 bonds, 90 residues, 1 model selected |
| 8399 | | |
| 8400 | | > select up |
| 8401 | | |
| 8402 | | 727 atoms, 746 bonds, 92 residues, 1 model selected |
| 8403 | | |
| 8404 | | > select up |
| 8405 | | |
| 8406 | | 1313 atoms, 1346 bonds, 164 residues, 1 model selected |
| 8407 | | |
| 8408 | | > contacts sel restrict cross interModel false intraMol false |
| 8409 | | > ignoreHiddenModels true select true color #ff2600 name contacts_AF3_Y513 |
| 8410 | | > reveal true log true |
| 8411 | | |
| 8412 | | |
| 8413 | | Allowed overlap: -0.4 |
| 8414 | | H-bond overlap reduction: 0.4 |
| 8415 | | Ignore contacts between atoms separated by 4 bonds or less |
| 8416 | | Detect intra-residue contacts: False |
| 8417 | | Detect intra-molecule contacts: False |
| 8418 | | |
| 8419 | | 64 contacts |
| 8420 | | atom1 atom2 overlap distance |
| 8421 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 68 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H LEU 111A CD1 0.171 3.589 |
| 8422 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ARG 127 CG 231023_poly310-DH270UCA3_refine_001.pdb #1/H TRP 109 CD1 0.157 3.483 |
| 8423 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PRO 72 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H SER 111 O 0.142 3.158 |
| 8424 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ALA 49 CA 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B O 0.137 3.163 |
| 8425 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E MET 77 CE 231023_poly310-DH270UCA3_refine_001.pdb #1/H ILE 110 CG2 0.135 3.625 |
| 8426 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ARG 127 CA 231023_poly310-DH270UCA3_refine_001.pdb #1/H TRP 109 CZ2 0.103 3.537 |
| 8427 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LEU 36 CD2 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B CE2 0.101 3.539 |
| 8428 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LYS 50 O 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B CB 0.095 3.205 |
| 8429 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LEU 36 CD2 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B CD2 0.080 3.560 |
| 8430 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LYS 74 CE 231023_poly310-DH270UCA3_refine_001.pdb #1/H THR 65 O 0.077 3.223 |
| 8431 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E MET 77 CG 231023_poly310-DH270UCA3_refine_001.pdb #1/H ASN 59 ND2 0.069 3.451 |
| 8432 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LYS 50 O 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B CA 0.058 3.242 |
| 8433 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 73 CG 231023_poly310-DH270UCA3_refine_001.pdb #1/H TRP 55 CH2 0.052 3.588 |
| 8434 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 73 OD1 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 38 CE1 0.052 3.128 |
| 8435 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ARG 127 CG 231023_poly310-DH270UCA3_refine_001.pdb #1/H TRP 109 NE1 0.046 3.474 |
| 8436 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 128 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 37 OH 0.028 3.312 |
| 8437 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E GLY 70 CA 231023_poly310-DH270UCA3_refine_001.pdb #1/H LEU 111A CD2 0.025 3.735 |
| 8438 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 73 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H TRP 55 CH2 0.022 3.618 |
| 8439 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E MET 77 SD 231023_poly310-DH270UCA3_refine_001.pdb #1/H ASN 59 CB -0.019 3.669 |
| 8440 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 128 CG 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 37 OH -0.052 3.392 |
| 8441 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PRO 72 O 231023_poly310-DH270UCA3_refine_001.pdb #1/H ASP 112D CG -0.060 3.360 |
| 8442 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PRO 72 CD 231023_poly310-DH270UCA3_refine_001.pdb #1/H LEU 111A CD2 -0.118 3.878 |
| 8443 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E MET 77 CE 231023_poly310-DH270UCA3_refine_001.pdb #1/H LEU 111A CD2 -0.120 3.880 |
| 8444 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PHE 52 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H LEU 111A CB -0.127 3.887 |
| 8445 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ARG 127 CA 231023_poly310-DH270UCA3_refine_001.pdb #1/H TRP 109 CE2 -0.129 3.619 |
| 8446 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E CYS 76 O 231023_poly310-DH270UCA3_refine_001.pdb #1/H SER 62 CB -0.147 3.447 |
| 8447 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PHE 52 CD2 231023_poly310-DH270UCA3_refine_001.pdb #1/H LEU 111A CD1 -0.154 3.794 |
| 8448 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ALA 49 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B O -0.159 3.459 |
| 8449 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ARG 127 CA 231023_poly310-DH270UCA3_refine_001.pdb #1/H TRP 109 CH2 -0.166 3.806 |
| 8450 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PRO 72 O 231023_poly310-DH270UCA3_refine_001.pdb #1/H ASP 112D CA -0.172 3.472 |
| 8451 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 73 CG 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 38 OH -0.172 3.512 |
| 8452 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PRO 72 O 231023_poly310-DH270UCA3_refine_001.pdb #1/H ASP 112D CB -0.184 3.484 |
| 8453 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 73 OD1 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 38 OH -0.199 2.679 |
| 8454 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PRO 72 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H ILE 110 CG2 -0.212 3.972 |
| 8455 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LYS 50 N 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B O -0.214 2.874 |
| 8456 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ARG 127 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H TRP 109 CE2 -0.251 3.741 |
| 8457 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PHE 52 CG 231023_poly310-DH270UCA3_refine_001.pdb #1/H LEU 111A CB -0.252 3.742 |
| 8458 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PHE 52 CD1 231023_poly310-DH270UCA3_refine_001.pdb #1/H LEU 111A CB -0.254 3.894 |
| 8459 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 73 CA 231023_poly310-DH270UCA3_refine_001.pdb #1/H ASP 112D CG -0.259 4.019 |
| 8460 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PHE 52 CE1 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B CB -0.259 3.899 |
| 8461 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ARG 127 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H TRP 109 CD2 -0.263 3.753 |
| 8462 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E MET 77 CG 231023_poly310-DH270UCA3_refine_001.pdb #1/H ASN 59 CG -0.267 3.757 |
| 8463 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 73 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 38 OH -0.268 3.608 |
| 8464 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LEU 36 CD2 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B CZ -0.280 3.770 |
| 8465 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 73 OD1 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 38 CZ -0.289 3.319 |
| 8466 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ALA 49 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B CD1 -0.291 3.931 |
| 8467 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ARG 127 CG 231023_poly310-DH270UCA3_refine_001.pdb #1/H TRP 109 CE2 -0.307 3.797 |
| 8468 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E MET 77 CE 231023_poly310-DH270UCA3_refine_001.pdb #1/H ILE 110 CB -0.315 4.075 |
| 8469 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PRO 72 CA 231023_poly310-DH270UCA3_refine_001.pdb #1/H SER 111 O -0.318 3.618 |
| 8470 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LYS 50 NZ 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111C CA -0.322 3.842 |
| 8471 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LYS 74 NZ 231023_poly310-DH270UCA3_refine_001.pdb #1/H THR 65 O -0.333 2.993 |
| 8472 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ARG 127 CG 231023_poly310-DH270UCA3_refine_001.pdb #1/H TRP 109 CG -0.334 3.824 |
| 8473 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LYS 50 NZ 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111C C -0.335 3.585 |
| 8474 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LEU 36 CD2 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B CG -0.339 3.829 |
| 8475 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LYS 50 NZ 231023_poly310-DH270UCA3_refine_001.pdb #1/H ASP 112D N -0.340 3.620 |
| 8476 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E GLY 70 N 231023_poly310-DH270UCA3_refine_001.pdb #1/H LEU 111A CD2 -0.342 3.862 |
| 8477 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E MET 77 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H LEU 111A CD2 -0.361 4.121 |
| 8478 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LEU 36 CD2 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B CE1 -0.370 4.010 |
| 8479 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E MET 77 SD 231023_poly310-DH270UCA3_refine_001.pdb #1/H ILE 110 CG2 -0.372 4.022 |
| 8480 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 73 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H TRP 55 CZ2 -0.386 4.026 |
| 8481 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PRO 72 CB 231023_poly310-DH270UCA3_refine_001.pdb #1/H LEU 111A CD2 -0.388 4.148 |
| 8482 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E LEU 36 CD2 231023_poly310-DH270UCA3_refine_001.pdb #1/H TYR 111B CD1 -0.388 4.028 |
| 8483 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E ASP 73 OD1 231023_poly310-DH270UCA3_refine_001.pdb #1/H ASN 57 ND2 -0.390 3.050 |
| 8484 | | 231023_poly310-DH270UCA3_refine_001.pdb #1/E PRO 72 CG 231023_poly310-DH270UCA3_refine_001.pdb #1/H LEU 111A CD2 -0.396 4.156 |
| 8485 | | |
| 8486 | | |
| 8487 | | |
| 8488 | | 64 contacts |
| 8489 | | |
| 8490 | | > select clear |
| 8491 | | |
| 8492 | | > hide #1.4 models |
| 8493 | | |
| 8494 | | > show #1.4 models |
| 8495 | | |
| 8496 | | > hide #1.4 models |
| 8497 | | |
| 8498 | | > show #1.3 models |
| 8499 | | |
| 8500 | | > hide #1.3 models |
| 8501 | | |
| 8502 | | > show #1.4 models |
| 8503 | | |
| 8504 | | > show #1.3 models |
| 8505 | | |
| 8506 | | > hide #1.3 models |
| 8507 | | |
| 8508 | | > open |
| 8509 | | > /Users/oswanson/Downloads/fold_lee_rdrp_trimer_dimer/fold_lee_rdrp_trimer_dimer_model_0.cif |
| 8510 | | |
| 8511 | | Chain information for fold_lee_rdrp_trimer_dimer_model_0.cif #12 |
| 8512 | | --- |
| 8513 | | Chain | Description |
| 8514 | | A B | . |
| 8515 | | C D | . |
| 8516 | | E F | . |
| 8517 | | |
| 8518 | | |
| 8519 | | > hide #!1 models |
| 8520 | | |
| 8521 | | > hide #12 atoms |
| 8522 | | |
| 8523 | | > show #12 cartoons |
| 8524 | | |
| 8525 | | Computing secondary structure |
| 8526 | | |
| 8527 | | > color #12 bychain |
| 8528 | | |
| 8529 | | > open pdb:6QWL |
| 8530 | | |
| 8531 | | Summary of feedback from opening 6QWL fetched from pdb |
| 8532 | | --- |
| 8533 | | note | Fetching compressed mmCIF 6qwl from http://files.rcsb.org/download/6qwl.cif |
| 8534 | | |
| 8535 | | 6qwl title: |
| 8536 | | Influenza B virus (B/Panama/45) polymerase Hetermotrimer in complex with 3'5' |
| 8537 | | cRNA promoter [more info...] |
| 8538 | | |
| 8539 | | Chain information for 6qwl #13 |
| 8540 | | --- |
| 8541 | | Chain | Description | UniProt |
| 8542 | | E | Polymerase acidic protein | PA_INBP9 1-726 |
| 8543 | | K | RNA-directed RNA polymerase catalytic subunit | RDRP_INBP9 1-752 |
| 8544 | | Q | Polymerase basic protein 2 | PB2_INBP9 1-770 |
| 8545 | | T | 3' cRNA | |
| 8546 | | W | 5' cRNA | |
| 8547 | | |
| 8548 | | |
| 8549 | | > ui tool show Matchmaker |
| 8550 | | |
| 8551 | | > matchmaker #!13 to #12 |
| 8552 | | |
| 8553 | | Parameters |
| 8554 | | --- |
| 8555 | | Chain pairing | bb |
| 8556 | | Alignment algorithm | Needleman-Wunsch |
| 8557 | | Similarity matrix | BLOSUM-62 |
| 8558 | | SS fraction | 0.3 |
| 8559 | | Gap open (HH/SS/other) | 18/18/6 |
| 8560 | | Gap extend | 1 |
| 8561 | | SS matrix | | | H | S | O |
| 8562 | | ---|---|---|--- |
| 8563 | | H | 6 | -9 | -6 |
| 8564 | | S | | 6 | -6 |
| 8565 | | O | | | 4 |
| 8566 | | Iteration cutoff | 2 |
| 8567 | | |
| 8568 | | Matchmaker fold_lee_rdrp_trimer_dimer_model_0.cif, chain C (#12) with 6qwl, |
| 8569 | | chain K (#13), sequence alignment score = 3220.4 |
| 8570 | | RMSD between 301 pruned atom pairs is 1.204 angstroms; (across all 539 pairs: |
| 8571 | | 3.053) |
| 8572 | | |
| 8573 | | |
| 8574 | | > select add #13 |
| 8575 | | |
| 8576 | | 10408 atoms, 10668 bonds, 24 pseudobonds, 1270 residues, 3 models selected |
| 8577 | | |
| 8578 | | > hide sel atoms |
| 8579 | | |
| 8580 | | > show sel cartoons |
| 8581 | | |
| 8582 | | > select clear |
| 8583 | | |
| 8584 | | > hide #12 models |
| 8585 | | |
| 8586 | | > nucleotides #!13 atoms |
| 8587 | | |
| 8588 | | > style nucleic & #!13 stick |
| 8589 | | |
| 8590 | | Changed 553 atom styles |
| 8591 | | |
| 8592 | | > nucleotides #!13 fill |
| 8593 | | |
| 8594 | | > style nucleic & #!13 stick |
| 8595 | | |
| 8596 | | Changed 553 atom styles |
| 8597 | | |
| 8598 | | > nucleotides #!13 fill |
| 8599 | | |
| 8600 | | > style nucleic & #!13 stick |
| 8601 | | |
| 8602 | | Changed 553 atom styles |
| 8603 | | |
| 8604 | | > nucleotides #!13 tube/slab shape box |
| 8605 | | |
| 8606 | | > nucleotides #!13 ladder |
| 8607 | | |
| 8608 | | > select #13/T:6 |
| 8609 | | |
| 8610 | | 20 atoms, 21 bonds, 1 residue, 1 model selected |
| 8611 | | |
| 8612 | | > select up |
| 8613 | | |
| 8614 | | 249 atoms, 275 bonds, 12 residues, 1 model selected |
| 8615 | | |
| 8616 | | > nucleotides sel ladder |
| 8617 | | |
| 8618 | | > nucleotides sel tube/slab shape box |
| 8619 | | |
| 8620 | | [Repeated 2 time(s)] |
| 8621 | | |
| 8622 | | > nucleotides sel fill |
| 8623 | | |
| 8624 | | > style nucleic & sel stick |
| 8625 | | |
| 8626 | | Changed 249 atom styles |
| 8627 | | |
| 8628 | | > nucleotides sel atoms |
| 8629 | | |
| 8630 | | > style nucleic & sel stick |
| 8631 | | |
| 8632 | | Changed 249 atom styles |
| 8633 | | |
| 8634 | | > select add #13 |
| 8635 | | |
| 8636 | | 10408 atoms, 10668 bonds, 24 pseudobonds, 1270 residues, 3 models selected |
| 8637 | | |
| 8638 | | > color sel bychain |
| 8639 | | |
| 8640 | | > select clear |
| 8641 | | |
| 8642 | | > show #12 models |
| 8643 | | |
| 8644 | | > hide #12 models |
| 8645 | | |
| 8646 | | > show #12 models |
| 8647 | | |
| 8648 | | > hide #12 models |
| 8649 | | |
| 8650 | | > show #12 models |
| 8651 | | |
| 8652 | | > hide #!13 models |
| 8653 | | |
| 8654 | | > show #!13 models |
| 8655 | | |
| 8656 | | > hide #!13 models |
| 8657 | | |
| 8658 | | > show #!13 models |
| 8659 | | |
| 8660 | | > hide #12 models |
| 8661 | | |
| 8662 | | > close #12#13 |
| 8663 | | |
| 8664 | | > show #!1 models |
| 8665 | | |
| 8666 | | > save /Users/oswanson/Desktop/Primocalins/Structures/initial_models.cxs |
| 8667 | | |
| 8668 | | > hide #1.4 models |
| 8669 | | |
| 8670 | | > show #1.3 models |
| 8671 | | |
| 8672 | | > show #1.4 models |
| 8673 | | |
| 8674 | | > hide #1.4 models |
| 8675 | | |
| 8676 | | > show #1.4 models |
| 8677 | | |
| 8678 | | > hide #1.3 models |
| 8679 | | |
| 8680 | | > show #1.3 models |
| 8681 | | |
| 8682 | | > hide #1.4 models |
| 8683 | | |
| 8684 | | > close #1.4 |
| 8685 | | |
| 8686 | | > color #1.3 #0433ffff models |
| 8687 | | |
| 8688 | | > color #1.3 #7a81ffff models |
| 8689 | | |
| 8690 | | > color #1.3 #0433ffff models |
| 8691 | | |
| 8692 | | > color #1.3 #f3f3f3ff models |
| 8693 | | |
| 8694 | | > color #1.3 #0433ffff models |
| 8695 | | |
| 8696 | | > color #1.3 #0b1e97ff models |
| 8697 | | |
| 8698 | | > color #1.2 #ea99faff models |
| 8699 | | |
| 8700 | | > hide #1.3 models |
| 8701 | | |
| 8702 | | > select add #1 |
| 8703 | | |
| 8704 | | 4647 atoms, 4757 bonds, 71 pseudobonds, 608 residues, 4 models selected |
| 8705 | | |
| 8706 | | > size stickRadius 0.25 |
| 8707 | | |
| 8708 | | Changed 41190 bond radii |
| 8709 | | |
| 8710 | | > size stickRadius 0. |
| 8711 | | |
| 8712 | | Bond radius must be greater than 0. |
| 8713 | | |
| 8714 | | > size stickRadius 0.3 |
| 8715 | | |
| 8716 | | Changed 41190 bond radii |
| 8717 | | |
| 8718 | | > size stickRadius 0.275 |
| 8719 | | |
| 8720 | | Changed 41190 bond radii |
| 8721 | | |
| 8722 | | > size stickRadius 0.25 |
| 8723 | | |
| 8724 | | Changed 41190 bond radii |
| 8725 | | |
| 8726 | | > select clear |
| 8727 | | |
| 8728 | | > ui tool show "Show Sequence Viewer" |
| 8729 | | |
| 8730 | | > sequence chain #1/H |
| 8731 | | |
| 8732 | | Alignment identifier is 1/H |
| 8733 | | |
| 8734 | | > select #1/H:190 |
| 8735 | | |
| 8736 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 8737 | | |
| 8738 | | > select #1/H:190 |
| 8739 | | |
| 8740 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 8741 | | |
| 8742 | | > select #1/H:111A |
| 8743 | | |
| 8744 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 8745 | | |
| 8746 | | > select #1/H:111A |
| 8747 | | |
| 8748 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 8749 | | |
| 8750 | | > select #1/H:112D |
| 8751 | | |
| 8752 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 8753 | | |
| 8754 | | > select #1/H:112D |
| 8755 | | |
| 8756 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 8757 | | |
| 8758 | | > select #1/H:111A,112D |
| 8759 | | |
| 8760 | | 16 atoms, 14 bonds, 2 residues, 1 model selected |
| 8761 | | |
| 8762 | | > select #1/H:111A,112B,112D |
| 8763 | | |
| 8764 | | 22 atoms, 19 bonds, 3 residues, 1 model selected |
| 8765 | | |
| 8766 | | > show sel cartoons |
| 8767 | | |
| 8768 | | > show sel atoms |
| 8769 | | |
| 8770 | | > select #1/H:112B |
| 8771 | | |
| 8772 | | 6 atoms, 5 bonds, 1 residue, 1 model selected |
| 8773 | | |
| 8774 | | > hide sel atoms |
| 8775 | | |
| 8776 | | > select #1/H:111B |
| 8777 | | |
| 8778 | | 12 atoms, 12 bonds, 1 residue, 1 model selected |
| 8779 | | |
| 8780 | | > select #1/H:111B-111C,112A,112B,112C,112D |
| 8781 | | |
| 8782 | | 48 atoms, 49 bonds, 6 residues, 1 model selected |
| 8783 | | |
| 8784 | | > open pdb:8sax |
| 8785 | | |
| 8786 | | Summary of feedback from opening 8sax fetched from pdb |
| 8787 | | --- |
| 8788 | | notes | Fetching compressed mmCIF 8sax from http://files.rcsb.org/download/8sax.cif |
| 8789 | | Fetching CCD BMA from |
| 8790 | | https://files.wwpdb.org/pub/pdb/refdata/chem_comp/A/BMA/BMA.cif |
| 8791 | | Fetching CCD MAN from |
| 8792 | | https://files.wwpdb.org/pub/pdb/refdata/chem_comp/N/MAN/MAN.cif |
| 8793 | | |
| 8794 | | 8sax title: |
| 8795 | | CryoEM structure of DH270.UCA-CH848.10.17DT [more info...] |
| 8796 | | |
| 8797 | | Chain information for 8sax #12 |
| 8798 | | --- |
| 8799 | | Chain | Description | UniProt |
| 8800 | | A E I | CH848.10.17.SOSIP gp120 | A0A1W6IPB2_9HIV1 34-511 |
| 8801 | | B F J | CH848.10.17.SOSIP gp41 | |
| 8802 | | C G K | DH270.UCA heavy chain | |
| 8803 | | D H L | DH270.UCA light chain | |
| 8804 | | |
| 8805 | | Non-standard residues in 8sax #12 |
| 8806 | | --- |
| 8807 | | BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose) |
| 8808 | | MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose) |
| 8809 | | NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine; |
| 8810 | | 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; |
| 8811 | | 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE) |
| 8812 | | |
| 8813 | | |
| 8814 | | > select clear |
| 8815 | | |
| 8816 | | > select #1/H:66 |
| 8817 | | |
| 8818 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 8819 | | |
| 8820 | | > select add #1/L:109 |
| 8821 | | |
| 8822 | | 12 atoms, 10 bonds, 2 residues, 1 model selected |
| 8823 | | |
| 8824 | | > select up |
| 8825 | | |
| 8826 | | 55 atoms, 54 bonds, 8 residues, 1 model selected |
| 8827 | | |
| 8828 | | > select up |
| 8829 | | |
| 8830 | | 3334 atoms, 3411 bonds, 444 residues, 1 model selected |
| 8831 | | |
| 8832 | | > ui tool show Matchmaker |
| 8833 | | |
| 8834 | | > matchmaker #12 to #1 & sel |
| 8835 | | |
| 8836 | | Parameters |
| 8837 | | --- |
| 8838 | | Chain pairing | bb |
| 8839 | | Alignment algorithm | Needleman-Wunsch |
| 8840 | | Similarity matrix | BLOSUM-62 |
| 8841 | | SS fraction | 0.3 |
| 8842 | | Gap open (HH/SS/other) | 18/18/6 |
| 8843 | | Gap extend | 1 |
| 8844 | | SS matrix | | | H | S | O |
| 8845 | | ---|---|---|--- |
| 8846 | | H | 6 | -9 | -6 |
| 8847 | | S | | 6 | -6 |
| 8848 | | O | | | 4 |
| 8849 | | Iteration cutoff | 2 |
| 8850 | | |
| 8851 | | Matchmaker 231023_poly310-DH270UCA3_refine_001.pdb, chain H (#1) with 8sax, |
| 8852 | | chain C (#12), sequence alignment score = 647.8 |
| 8853 | | RMSD between 126 pruned atom pairs is 0.769 angstroms; (across all 127 pairs: |
| 8854 | | 0.792) |
| 8855 | | |
| 8856 | | |
| 8857 | | > select add #12 |
| 8858 | | |
| 8859 | | 23194 atoms, 23760 bonds, 2991 residues, 2 models selected |
| 8860 | | |
| 8861 | | > select #12/G:23@CE |
| 8862 | | |
| 8863 | | 1 atom, 1 residue, 1 model selected |
| 8864 | | |
| 8865 | | > select #12/G:23@CE |
| 8866 | | |
| 8867 | | 1 atom, 1 residue, 1 model selected |
| 8868 | | |
| 8869 | | > select add #12 |
| 8870 | | |
| 8871 | | 19860 atoms, 20349 bonds, 2547 residues, 1 model selected |
| 8872 | | |
| 8873 | | > hide sel atoms |
| 8874 | | |
| 8875 | | > show sel cartoons |
| 8876 | | |
| 8877 | | > select clear |
| 8878 | | |
| 8879 | | > hide #!1 models |
| 8880 | | |
| 8881 | | > ui mousemode right select |
| 8882 | | |
| 8883 | | Drag select of 29 residues |
| 8884 | | |
| 8885 | | > select up |
| 8886 | | |
| 8887 | | 508 atoms, 510 bonds, 67 residues, 1 model selected |
| 8888 | | |
| 8889 | | > ui tool show H-Bonds |
| 8890 | | |
| 8891 | | > hbonds sel color #ffd479 restrict cross interModel false distSlop 0.8 |
| 8892 | | > intraMol false intraRes false select true reveal true log true |
| 8893 | | |
| 8894 | | |
| 8895 | | Finding intramodel H-bonds |
| 8896 | | Constraints relaxed by 0.8 angstroms and 20 degrees |
| 8897 | | Models used: |
| 8898 | | 12 8sax |
| 8899 | | |
| 8900 | | 6 H-bonds |
| 8901 | | H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): |
| 8902 | | 8sax #12/A LYS 327 NZ 8sax #12/C TYR 33 OH no hydrogen 3.095 N/A |
| 8903 | | 8sax #12/A THR 415 OG1 8sax #12/N NAG 1 O5 no hydrogen 3.662 N/A |
| 8904 | | 8sax #12/A THR 415 OG1 8sax #12/N NAG 1 O6 no hydrogen 3.431 N/A |
| 8905 | | 8sax #12/C TYR 33 OH 8sax #12/A ASP 325 OD2 no hydrogen 2.827 N/A |
| 8906 | | 8sax #12/N NAG 1 N2 8sax #12/A HIS 330 NE2 no hydrogen 3.281 N/A |
| 8907 | | 8sax #12/N NAG 1 O6 8sax #12/A THR 415 OG1 no hydrogen 3.431 N/A |
| 8908 | | |
| 8909 | | |
| 8910 | | |
| 8911 | | 6 hydrogen bonds found |
| 8912 | | |
| 8913 | | > select up |
| 8914 | | |
| 8915 | | 60 atoms, 57 bonds, 6 residues, 1 model selected |
| 8916 | | |
| 8917 | | > style sel stick |
| 8918 | | |
| 8919 | | Changed 60 atom styles |
| 8920 | | |
| 8921 | | > color sel byhetero |
| 8922 | | |
| 8923 | | > select clear |
| 8924 | | |
| 8925 | | > select #12/A:414 |
| 8926 | | |
| 8927 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 8928 | | |
| 8929 | | > select up |
| 8930 | | |
| 8931 | | 73 atoms, 72 bonds, 9 residues, 1 model selected |
| 8932 | | |
| 8933 | | > select up |
| 8934 | | |
| 8935 | | 3582 atoms, 3664 bonds, 462 residues, 1 model selected |
| 8936 | | |
| 8937 | | > select down |
| 8938 | | |
| 8939 | | 73 atoms, 72 bonds, 9 residues, 1 model selected |
| 8940 | | |
| 8941 | | > select clear |
| 8942 | | |
| 8943 | | Drag select of 9 atoms, 43 residues, 7 bonds |
| 8944 | | |
| 8945 | | > select up |
| 8946 | | |
| 8947 | | 636 atoms, 638 bonds, 84 residues, 1 model selected |
| 8948 | | |
| 8949 | | > contacts sel restrict cross interModel false intraMol false |
| 8950 | | > ignoreHiddenModels true select true color #ff2600 reveal true log true |
| 8951 | | |
| 8952 | | |
| 8953 | | Allowed overlap: -0.4 |
| 8954 | | H-bond overlap reduction: 0.4 |
| 8955 | | Ignore contacts between atoms separated by 4 bonds or less |
| 8956 | | Detect intra-residue contacts: False |
| 8957 | | Detect intra-molecule contacts: False |
| 8958 | | |
| 8959 | | 31 contacts |
| 8960 | | atom1 atom2 overlap distance |
| 8961 | | 8sax #12/A ASN 332 ND2 8sax #12/N NAG 1 C1 1.117 2.403 |
| 8962 | | 8sax #12/A ASN 332 CG 8sax #12/N NAG 1 C1 0.545 2.945 |
| 8963 | | 8sax #12/A ASN 332 OD1 8sax #12/N NAG 1 C1 0.528 2.772 |
| 8964 | | 8sax #12/A ASN 332 ND2 8sax #12/N NAG 1 C2 0.307 3.213 |
| 8965 | | 8sax #12/A HIS 330 NE2 8sax #12/N NAG 1 C8 0.296 3.224 |
| 8966 | | 8sax #12/A HIS 330 CE1 8sax #12/C TYR 105 O 0.162 3.018 |
| 8967 | | 8sax #12/A THR 415 CG2 8sax #12/C TYR 105 CE1 0.118 3.522 |
| 8968 | | 8sax #12/A ASN 332 ND2 8sax #12/N NAG 1 C7 0.059 3.191 |
| 8969 | | 8sax #12/A HIS 330 CB 8sax #12/C TYR 105 CD1 0.051 3.589 |
| 8970 | | 8sax #12/A HIS 330 NE2 8sax #12/N NAG 1 N2 -0.001 3.281 |
| 8971 | | 8sax #12/A PRO 299 CG 8sax #12/C TYR 105 O -0.063 3.363 |
| 8972 | | 8sax #12/A HIS 330 ND1 8sax #12/C TYR 105 CD1 -0.063 3.463 |
| 8973 | | 8sax #12/A HIS 330 CE1 8sax #12/C TYR 105 CB -0.079 3.719 |
| 8974 | | 8sax #12/A ASN 332 ND2 8sax #12/N NAG 1 N2 -0.087 3.367 |
| 8975 | | 8sax #12/A THR 138 O 8sax #12/C GLY 57 CA -0.102 3.402 |
| 8976 | | 8sax #12/A ILE 323c CG2 8sax #12/D SER 96 CB -0.107 3.867 |
| 8977 | | 8sax #12/A ASN 332 ND2 8sax #12/N NAG 1 O7 -0.136 2.796 |
| 8978 | | 8sax #12/A HIS 330 CG 8sax #12/C TYR 105 CD1 -0.144 3.514 |
| 8979 | | 8sax #12/A THR 138 CG2 8sax #12/C ASN 59 ND2 -0.165 3.685 |
| 8980 | | 8sax #12/A HIS 330 CB 8sax #12/C TYR 105 CE1 -0.182 3.822 |
| 8981 | | 8sax #12/A HIS 330 ND1 8sax #12/C TYR 105 CB -0.258 3.778 |
| 8982 | | 8sax #12/A THR 297 CG2 8sax #12/N NAG 1 C8 -0.283 4.043 |
| 8983 | | 8sax #12/A LYS 327 CD 8sax #12/C LEU 104 CA -0.296 4.056 |
| 8984 | | 8sax #12/A THR 413 CG2 8sax #12/N NAG 1 O5 -0.304 3.644 |
| 8985 | | 8sax #12/A LYS 327 CE 8sax #12/C TYR 33 OH -0.323 3.663 |
| 8986 | | 8sax #12/A ASP 325 OD2 8sax #12/C TYR 33 OH -0.347 2.827 |
| 8987 | | 8sax #12/A HIS 330 CE1 8sax #12/C TYR 105 C -0.350 3.720 |
| 8988 | | 8sax #12/A THR 415 CG2 8sax #12/C TYR 105 CZ -0.354 3.844 |
| 8989 | | 8sax #12/A HIS 330 CE1 8sax #12/C TYR 105 CA -0.358 3.998 |
| 8990 | | 8sax #12/A ILE 323c CG2 8sax #12/D SER 96 CA -0.368 4.128 |
| 8991 | | 8sax #12/A LYS 327 NZ 8sax #12/C TYR 33 OH -0.395 3.095 |
| 8992 | | |
| 8993 | | |
| 8994 | | |
| 8995 | | 31 contacts |
| 8996 | | |
| 8997 | | > select add #12 |
| 8998 | | |
| 8999 | | 19860 atoms, 20349 bonds, 37 pseudobonds, 2547 residues, 3 models selected |
| 9000 | | |
| 9001 | | > style sel stick |
| 9002 | | |
| 9003 | | Changed 19860 atom styles |
| 9004 | | |
| 9005 | | > select clear |
| 9006 | | |
| 9007 | | > show #!1 models |
| 9008 | | |
| 9009 | | > hide #!1 models |
| 9010 | | |
| 9011 | | > select add #12 |
| 9012 | | |
| 9013 | | 19860 atoms, 20349 bonds, 37 pseudobonds, 2547 residues, 3 models selected |
| 9014 | | |
| 9015 | | > color sel byhetero |
| 9016 | | |
| 9017 | | > select subtract #12 |
| 9018 | | |
| 9019 | | Nothing selected |
| 9020 | | |
| 9021 | | > hide #12.2 models |
| 9022 | | |
| 9023 | | > show #!1 models |
| 9024 | | |
| 9025 | | > hide #!12 models |
| 9026 | | |
| 9027 | | > show #!12 models |
| 9028 | | |
| 9029 | | > hide #!12 models |
| 9030 | | |
| 9031 | | > show #!12 models |
| 9032 | | |
| 9033 | | > hide #!12 models |
| 9034 | | |
| 9035 | | > show #!12 models |
| 9036 | | |
| 9037 | | > hide #!12 models |
| 9038 | | |
| 9039 | | > show #!12 models |
| 9040 | | |
| 9041 | | > hide #!12 models |
| 9042 | | |
| 9043 | | > show #!12 models |
| 9044 | | |
| 9045 | | > hide #!12 models |
| 9046 | | |
| 9047 | | > show #12.2 models |
| 9048 | | |
| 9049 | | > hide #!12 models |
| 9050 | | |
| 9051 | | > show #1.3 models |
| 9052 | | |
| 9053 | | > hide #1.2 models |
| 9054 | | |
| 9055 | | > show #!12 models |
| 9056 | | |
| 9057 | | > hide #!1 models |
| 9058 | | |
| 9059 | | > show #!1 models |
| 9060 | | |
| 9061 | | > hide #!1 models |
| 9062 | | |
| 9063 | | > open pdb:9aug |
| 9064 | | |
| 9065 | | Summary of feedback from opening 9aug fetched from pdb |
| 9066 | | --- |
| 9067 | | note | Fetching compressed mmCIF 9aug from http://files.rcsb.org/download/9aug.cif |
| 9068 | | |
| 9069 | | 9aug title: |
| 9070 | | Cryo-EM structure of CH848.d949.10.17.GS-DH270.UCA3.G57R [more info...] |
| 9071 | | |
| 9072 | | Chain information for 9aug #13 |
| 9073 | | --- |
| 9074 | | Chain | Description | UniProt |
| 9075 | | A B C | HIV-1 BG505 DS-SOSIP glycoprotein gp120 | Q2N0S6_9HIV1 31-498 |
| 9076 | | D E F | HIV-1 BG505 DS-SOSIP glycoprotein gp41 | Q2N0S6_9HIV1 512-664 |
| 9077 | | G H I | UCA3.G57R heavy chain | |
| 9078 | | J K L | UCA3.G57R light chain | |
| 9079 | | |
| 9080 | | Non-standard residues in 9aug #13 |
| 9081 | | --- |
| 9082 | | BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose) |
| 9083 | | MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose) |
| 9084 | | NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine; |
| 9085 | | 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; |
| 9086 | | 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE) |
| 9087 | | |
| 9088 | | |
| 9089 | | > matchmaker #!13 to #1 & sel |
| 9090 | | |
| 9091 | | No 'to' model specified |
| 9092 | | |
| 9093 | | > show #!1 models |
| 9094 | | |
| 9095 | | > select #1/H:112D |
| 9096 | | |
| 9097 | | 8 atoms, 7 bonds, 1 residue, 1 model selected |
| 9098 | | |
| 9099 | | > select up |
| 9100 | | |
| 9101 | | 181 atoms, 190 bonds, 22 residues, 1 model selected |
| 9102 | | |
| 9103 | | > select up |
| 9104 | | |
| 9105 | | 1725 atoms, 1772 bonds, 228 residues, 1 model selected |
| 9106 | | |
| 9107 | | > select up |
| 9108 | | |
| 9109 | | 4647 atoms, 4757 bonds, 608 residues, 1 model selected |
| 9110 | | |
| 9111 | | > select down |
| 9112 | | |
| 9113 | | 1725 atoms, 1772 bonds, 228 residues, 1 model selected |
| 9114 | | |
| 9115 | | > select subtract #1/H:74 |
| 9116 | | |
| 9117 | | 1721 atoms, 1767 bonds, 227 residues, 1 model selected |
| 9118 | | |
| 9119 | | > select up |
| 9120 | | |
| 9121 | | 1725 atoms, 1772 bonds, 228 residues, 1 model selected |
| 9122 | | |
| 9123 | | > select add #1/L:56 |
| 9124 | | |
| 9125 | | 1734 atoms, 1780 bonds, 229 residues, 1 model selected |
| 9126 | | |
| 9127 | | > select up |
| 9128 | | |
| 9129 | | 1828 atoms, 1876 bonds, 241 residues, 1 model selected |
| 9130 | | |
| 9131 | | > select up |
| 9132 | | |
| 9133 | | 3334 atoms, 3411 bonds, 444 residues, 1 model selected |
| 9134 | | |
| 9135 | | > select up |
| 9136 | | |
| 9137 | | 4647 atoms, 4757 bonds, 608 residues, 1 model selected |
| 9138 | | |
| 9139 | | > select down |
| 9140 | | |
| 9141 | | 3334 atoms, 3411 bonds, 444 residues, 1 model selected |
| 9142 | | |
| 9143 | | > matchmaker #!13 to #1 & sel |
| 9144 | | |
| 9145 | | Parameters |
| 9146 | | --- |
| 9147 | | Chain pairing | bb |
| 9148 | | Alignment algorithm | Needleman-Wunsch |
| 9149 | | Similarity matrix | BLOSUM-62 |
| 9150 | | SS fraction | 0.3 |
| 9151 | | Gap open (HH/SS/other) | 18/18/6 |
| 9152 | | Gap extend | 1 |
| 9153 | | SS matrix | | | H | S | O |
| 9154 | | ---|---|---|--- |
| 9155 | | H | 6 | -9 | -6 |
| 9156 | | S | | 6 | -6 |
| 9157 | | O | | | 4 |
| 9158 | | Iteration cutoff | 2 |
| 9159 | | |
| 9160 | | Matchmaker 231023_poly310-DH270UCA3_refine_001.pdb, chain H (#1) with 9aug, |
| 9161 | | chain G (#13), sequence alignment score = 999.8 |
| 9162 | | RMSD between 125 pruned atom pairs is 0.728 angstroms; (across all 126 pairs: |
| 9163 | | 0.755) |
| 9164 | | |
| 9165 | | |
| 9166 | | > hide #!1 models |
| 9167 | | |
| 9168 | | > select add #1 |
| 9169 | | |
| 9170 | | 4647 atoms, 4757 bonds, 71 pseudobonds, 608 residues, 4 models selected |
| 9171 | | |
| 9172 | | > select subtract #1 |
| 9173 | | |
| 9174 | | Nothing selected |
| 9175 | | |
| 9176 | | > select add #13 |
| 9177 | | |
| 9178 | | 20211 atoms, 20745 bonds, 3 pseudobonds, 2544 residues, 2 models selected |
| 9179 | | |
| 9180 | | > show sel cartoons |
| 9181 | | |
| 9182 | | > style sel stick |
| 9183 | | |
| 9184 | | Changed 20211 atom styles |
| 9185 | | |
| 9186 | | > hide sel atoms |
| 9187 | | |
| 9188 | | > select clear |
| 9189 | | |
| 9190 | | > hide #!12 models |
| 9191 | | |
| 9192 | | Drag select of 32 residues |
| 9193 | | |
| 9194 | | > select up |
| 9195 | | |
| 9196 | | 392 atoms, 391 bonds, 53 residues, 1 model selected |
| 9197 | | |
| 9198 | | > hbonds sel color #ffd479 restrict cross interModel false distSlop 0.8 |
| 9199 | | > intraMol false intraRes false select true reveal true log true |
| 9200 | | |
| 9201 | | |
| 9202 | | Finding intramodel H-bonds |
| 9203 | | Constraints relaxed by 0.8 angstroms and 20 degrees |
| 9204 | | Models used: |
| 9205 | | 13 9aug |
| 9206 | | |
| 9207 | | 12 H-bonds |
| 9208 | | H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): |
| 9209 | | 9aug #13/A SER 136 OG 9aug #13/G THR 58 O no hydrogen 3.683 N/A |
| 9210 | | 9aug #13/A SER 136 OG 9aug #13/G THR 58 OG1 no hydrogen 3.145 N/A |
| 9211 | | 9aug #13/A GLY 138 N 9aug #13/G SER 55 OG no hydrogen 3.662 N/A |
| 9212 | | 9aug #13/A ASP 325 N 9aug #13/G ASP 107 OD2 no hydrogen 3.149 N/A |
| 9213 | | 9aug #13/A LYS 327 NZ 9aug #13/G TYR 33 OH no hydrogen 3.222 N/A |
| 9214 | | 9aug #13/A THR 415 OG1 9aug #13/G TYR 105 OH no hydrogen 3.764 N/A |
| 9215 | | 9aug #13/G TYR 33 OH 9aug #13/A ASP 325 OD2 no hydrogen 2.362 N/A |
| 9216 | | 9aug #13/G ASN 52 ND2 9aug #13/A ASP 325 OD1 no hydrogen 3.191 N/A |
| 9217 | | 9aug #13/G SER 55 OG 9aug #13/A GLY 138 O no hydrogen 3.500 N/A |
| 9218 | | 9aug #13/G ARG 57 NH2 9aug #13/A ILE 322 O no hydrogen 3.168 N/A |
| 9219 | | 9aug #13/G THR 58 OG1 9aug #13/A SER 136 OG no hydrogen 3.145 N/A |
| 9220 | | 9aug #13/G TYR 105 OH 9aug #13/A GLN 417 OE1 no hydrogen 3.170 N/A |
| 9221 | | |
| 9222 | | |
| 9223 | | |
| 9224 | | 12 hydrogen bonds found |
| 9225 | | |
| 9226 | | > select add #13 |
| 9227 | | |
| 9228 | | 20211 atoms, 20745 bonds, 15 pseudobonds, 2544 residues, 3 models selected |
| 9229 | | |
| 9230 | | > color sel byhetero |
| 9231 | | |
| 9232 | | > select clear |
| 9233 | | |
| 9234 | | Drag select of 5 atoms, 15 residues, 3 bonds |
| 9235 | | |
| 9236 | | > select up |
| 9237 | | |
| 9238 | | 113 atoms, 105 bonds, 17 residues, 1 model selected |
| 9239 | | |
| 9240 | | > select up |
| 9241 | | |
| 9242 | | 128 atoms, 121 bonds, 17 residues, 1 model selected |
| 9243 | | |
| 9244 | | > select down |
| 9245 | | |
| 9246 | | 113 atoms, 105 bonds, 17 residues, 1 model selected |
| 9247 | | |
| 9248 | | > select #13/G:57 |
| 9249 | | |
| 9250 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 9251 | | |
| 9252 | | > select #13/G:57 |
| 9253 | | |
| 9254 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 9255 | | |
| 9256 | | > select clear |
| 9257 | | |
| 9258 | | Drag select of 8 atoms, 33 residues, 7 bonds, 2 pseudobonds |
| 9259 | | |
| 9260 | | > select subtract #13/G:57 |
| 9261 | | |
| 9262 | | 240 atoms, 5 bonds, 1 pseudobond, 33 residues, 2 models selected |
| 9263 | | |
| 9264 | | > select up |
| 9265 | | |
| 9266 | | 530 atoms, 533 bonds, 1 pseudobond, 72 residues, 2 models selected |
| 9267 | | |
| 9268 | | > contacts sel restrict cross interModel false intraMol false |
| 9269 | | > ignoreHiddenModels true select true color #ff2600 reveal true log true |
| 9270 | | |
| 9271 | | |
| 9272 | | Allowed overlap: -0.4 |
| 9273 | | H-bond overlap reduction: 0.4 |
| 9274 | | Ignore contacts between atoms separated by 4 bonds or less |
| 9275 | | Detect intra-residue contacts: False |
| 9276 | | Detect intra-molecule contacts: False |
| 9277 | | |
| 9278 | | 25 contacts |
| 9279 | | atom1 atom2 overlap distance |
| 9280 | | 9aug #13/A ASP 325 CG 9aug #13/G ASN 52 ND2 0.265 3.255 |
| 9281 | | 9aug #13/A ASP 325 CG 9aug #13/G TYR 33 OH 0.200 3.140 |
| 9282 | | 9aug #13/A HIS 330 ND1 9aug #13/G TYR 105 CD1 0.133 3.267 |
| 9283 | | 9aug #13/A ILE 326 CG1 9aug #13/G ARG 57 NH1 0.123 3.397 |
| 9284 | | 9aug #13/A ASP 325 OD2 9aug #13/G TYR 33 OH 0.118 2.362 |
| 9285 | | 9aug #13/A ASP 325 OD2 9aug #13/G ASN 52 ND2 0.066 2.594 |
| 9286 | | 9aug #13/A HIS 330 CE1 9aug #13/G TYR 105 CB 0.064 3.576 |
| 9287 | | 9aug #13/A GLN 417 OE1 9aug #13/G TYR 105 CE1 0.062 3.118 |
| 9288 | | 9aug #13/A GLY 324 CA 9aug #13/J SER 97 OG 0.047 3.293 |
| 9289 | | 9aug #13/A ILE 323 CG2 9aug #13/J SER 96 CA 0.041 3.719 |
| 9290 | | 9aug #13/A GLY 137 CA 9aug #13/G ARG 57 CD 0.022 3.738 |
| 9291 | | 9aug #13/A LYS 327 CD 9aug #13/G LEU 104 CA 0.006 3.754 |
| 9292 | | 9aug #13/A HIS 330 CE1 9aug #13/G TYR 105 O -0.009 3.189 |
| 9293 | | 9aug #13/A ILE 323 CG2 9aug #13/J SER 96 CB -0.042 3.802 |
| 9294 | | 9aug #13/A HIS 330 CE1 9aug #13/G TYR 105 CD1 -0.045 3.565 |
| 9295 | | 9aug #13/A LYS 327 CE 9aug #13/G TYR 106 O -0.048 3.348 |
| 9296 | | 9aug #13/A ASP 325 CB 9aug #13/G TYR 33 OH -0.116 3.456 |
| 9297 | | 9aug #13/A SER 136 CB 9aug #13/G THR 58 OG1 -0.136 3.476 |
| 9298 | | 9aug #13/A ILE 326 CD1 9aug #13/G ARG 57 NH1 -0.178 3.698 |
| 9299 | | 9aug #13/A ILE 323 CG2 9aug #13/J SER 96 O -0.194 3.494 |
| 9300 | | 9aug #13/A HIS 330 CE1 9aug #13/G TYR 105 CA -0.208 3.848 |
| 9301 | | 9aug #13/A ILE 323 CG2 9aug #13/J SER 96 C -0.226 3.716 |
| 9302 | | 9aug #13/A HIS 330 CG 9aug #13/G TYR 105 CD1 -0.287 3.657 |
| 9303 | | 9aug #13/A LYS 327 CE 9aug #13/G LEU 104 CA -0.364 4.124 |
| 9304 | | 9aug #13/A GLY 324 C 9aug #13/G TRP 50 CH2 -0.385 3.755 |
| 9305 | | |
| 9306 | | |
| 9307 | | |
| 9308 | | 25 contacts |
| 9309 | | |
| 9310 | | > select clear |
| 9311 | | |
| 9312 | | > hide #13.3 models |
| 9313 | | |
| 9314 | | > hide #13.2 models |
| 9315 | | |
| 9316 | | > show #13.3 models |
| 9317 | | |
| 9318 | | > show #13.2 models |
| 9319 | | |
| 9320 | | > hide #13.3 models |
| 9321 | | |
| 9322 | | Desktop color scheme is dark |
| 9323 | | Desktop color scheme is light |
| 9324 | | |
| 9325 | | > open pdb:6QWL |
| 9326 | | |
| 9327 | | 6qwl title: |
| 9328 | | Influenza B virus (B/Panama/45) polymerase Hetermotrimer in complex with 3'5' |
| 9329 | | cRNA promoter [more info...] |
| 9330 | | |
| 9331 | | Chain information for 6qwl #14 |
| 9332 | | --- |
| 9333 | | Chain | Description | UniProt |
| 9334 | | E | Polymerase acidic protein | PA_INBP9 1-726 |
| 9335 | | K | RNA-directed RNA polymerase catalytic subunit | RDRP_INBP9 1-752 |
| 9336 | | Q | Polymerase basic protein 2 | PB2_INBP9 1-770 |
| 9337 | | T | 3' cRNA | |
| 9338 | | W | 5' cRNA | |
| 9339 | | |
| 9340 | | |
| 9341 | | > hide #!13 models |
| 9342 | | |
| 9343 | | > select add #14 |
| 9344 | | |
| 9345 | | 10408 atoms, 10668 bonds, 24 pseudobonds, 1270 residues, 3 models selected |
| 9346 | | |
| 9347 | | > view orient |
| 9348 | | |
| 9349 | | > select clear |
| 9350 | | |
| 9351 | | > select #14/E:549@NH1 |
| 9352 | | |
| 9353 | | 1 atom, 1 residue, 1 model selected |
| 9354 | | |
| 9355 | | > select add #14/K:331@CD1 |
| 9356 | | |
| 9357 | | 2 atoms, 2 residues, 1 model selected |
| 9358 | | |
| 9359 | | > ui tool show Distances |
| 9360 | | |
| 9361 | | > distance #14/E:549@NH1 #14/K:331@CD1 |
| 9362 | | |
| 9363 | | Distance between 6qwl #14/E ARG 549 NH1 and /K ILE 331 CD1: 104.224Å |
| 9364 | | |
| 9365 | | > open |
| 9366 | | > /Users/oswanson/Downloads/fold_lee_rdrp_trimer_dimer/fold_lee_rdrp_trimer_dimer_model_0.cif |
| 9367 | | |
| 9368 | | Chain information for fold_lee_rdrp_trimer_dimer_model_0.cif #16 |
| 9369 | | --- |
| 9370 | | Chain | Description |
| 9371 | | A B | . |
| 9372 | | C D | . |
| 9373 | | E F | . |
| 9374 | | |
| 9375 | | |
| 9376 | | > select clear |
| 9377 | | |
| 9378 | | > select add #16 |
| 9379 | | |
| 9380 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 9381 | | |
| 9382 | | > select subtract #16 |
| 9383 | | |
| 9384 | | Nothing selected |
| 9385 | | |
| 9386 | | > select add #16 |
| 9387 | | |
| 9388 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 9389 | | |
| 9390 | | > view orient |
| 9391 | | |
| 9392 | | > hide #!14 models |
| 9393 | | |
| 9394 | | > view orient |
| 9395 | | |
| 9396 | | > select clear |
| 9397 | | |
| 9398 | | [Repeated 1 time(s)] |
| 9399 | | |
| 9400 | | > select #16/D:196@NH1 |
| 9401 | | |
| 9402 | | 1 atom, 1 residue, 1 model selected |
| 9403 | | |
| 9404 | | > select add #16/C:196@NH2 |
| 9405 | | |
| 9406 | | 2 atoms, 2 residues, 1 model selected |
| 9407 | | |
| 9408 | | > distance #16/D:196@NH1 #16/C:196@NH2 |
| 9409 | | |
| 9410 | | Distance between fold_lee_rdrp_trimer_dimer_model_0.cif #16/D ARG 196 NH1 and |
| 9411 | | /C ARG 196 NH2: 197.716Å |
| 9412 | | |
| 9413 | | > select #16/A:621@OE1 |
| 9414 | | |
| 9415 | | 1 atom, 1 residue, 1 model selected |
| 9416 | | |
| 9417 | | > select add #16/E:631@ND2 |
| 9418 | | |
| 9419 | | 2 atoms, 2 residues, 1 model selected |
| 9420 | | |
| 9421 | | > distance #16/A:621@OE1 #16/E:631@ND2 |
| 9422 | | |
| 9423 | | Distance between fold_lee_rdrp_trimer_dimer_model_0.cif #16/A GLU 621 OE1 and |
| 9424 | | /E ASN 631 ND2: 126.822Å |
| 9425 | | |
| 9426 | | > select clear |
| 9427 | | |
| 9428 | | > select #16/A:621@OE1 |
| 9429 | | |
| 9430 | | 1 atom, 1 residue, 1 model selected |
| 9431 | | |
| 9432 | | > select add #16/E:631@CB |
| 9433 | | |
| 9434 | | 2 atoms, 2 residues, 1 model selected |
| 9435 | | |
| 9436 | | > distance #16/A:621@OE1 #16/E:631@CB |
| 9437 | | |
| 9438 | | Distance between fold_lee_rdrp_trimer_dimer_model_0.cif #16/A GLU 621 OE1 and |
| 9439 | | /E ASN 631 CB: 128.258Å |
| 9440 | | |
| 9441 | | > select #16/B:321@CG |
| 9442 | | |
| 9443 | | 1 atom, 1 residue, 1 model selected |
| 9444 | | |
| 9445 | | > select add #16/B:100@O |
| 9446 | | |
| 9447 | | 2 atoms, 2 residues, 1 model selected |
| 9448 | | |
| 9449 | | > distance #16/B:321@CG #16/B:100@O |
| 9450 | | |
| 9451 | | Distance between fold_lee_rdrp_trimer_dimer_model_0.cif #16/B ASP 321 CG and |
| 9452 | | GLY 100 O: 131.686Å |
| 9453 | | |
| 9454 | | > select #16/D:194@CE |
| 9455 | | |
| 9456 | | 1 atom, 1 residue, 1 model selected |
| 9457 | | |
| 9458 | | > select add #16/B:206@OE1 |
| 9459 | | |
| 9460 | | 2 atoms, 2 residues, 1 model selected |
| 9461 | | |
| 9462 | | > distance #16/D:194@CE #16/B:206@OE1 |
| 9463 | | |
| 9464 | | Distance between fold_lee_rdrp_trimer_dimer_model_0.cif #16/D LYS 194 CE and |
| 9465 | | /B GLN 206 OE1: 62.308Å |
| 9466 | | |
| 9467 | | > select add #16 |
| 9468 | | |
| 9469 | | 35830 atoms, 36512 bonds, 5 pseudobonds, 4496 residues, 2 models selected |
| 9470 | | |
| 9471 | | > hide sel atoms |
| 9472 | | |
| 9473 | | > show sel cartoons |
| 9474 | | |
| 9475 | | Computing secondary structure |
| 9476 | | |
| 9477 | | > select clear |
| 9478 | | |
| 9479 | | Desktop color scheme is dark |
| 9480 | | |
| 9481 | | > molmap #16 4 |
| 9482 | | |
| 9483 | | Opened fold_lee_rdrp_trimer_dimer_model_0.cif map 4 as #17, grid size |
| 9484 | | 142,148,110, pixel 1.33, shown at level 0.102, step 1, values float32 |
| 9485 | | |
| 9486 | | > hide #!17 models |
| 9487 | | |
| 9488 | | > select add #16 |
| 9489 | | |
| 9490 | | 35830 atoms, 36512 bonds, 5 pseudobonds, 4496 residues, 2 models selected |
| 9491 | | |
| 9492 | | > color sel bychain |
| 9493 | | |
| 9494 | | > select clear |
| 9495 | | |
| 9496 | | Desktop color scheme is light |
| 9497 | | |
| 9498 | | > show #!17 models |
| 9499 | | |
| 9500 | | > molmap #16 8 |
| 9501 | | |
| 9502 | | Opened fold_lee_rdrp_trimer_dimer_model_0.cif map 8 as #17, grid size |
| 9503 | | 80,83,64, pixel 2.67, shown at level 0.0919, step 1, values float32 |
| 9504 | | |
| 9505 | | > save |
| 9506 | | > /Users/oswanson/Desktop/Primocalins/Structures/initial_models_plusRdRp.cxs |
| 9507 | | |
| 9508 | | ——— End of log from Wed Nov 5 13:19:26 2025 ——— |
| 9509 | | |
| 9510 | | > view name session-start |
| 9511 | | |
| 9512 | | opened ChimeraX session |
| 9513 | | |
| 9514 | | > close #2,4-5,8#1,3,6-7,9-15 |
| 9515 | | |
| 9516 | | > open /Users/oswanson/Downloads/cryosparc_P605_J52_005_volume_map_sharp.mrc |
| 9517 | | |
| 9518 | | Opened cryosparc_P605_J52_005_volume_map_sharp.mrc as #1, grid size |
| 9519 | | 256,256,256, pixel 1.45, shown at level 0.0832, step 1, values float32 |
| 9520 | | |
| 9521 | | > open /Users/oswanson/Downloads/cryosparc_P605_J45_class_00_final_volume.mrc |
| 9522 | | |
| 9523 | | Opened cryosparc_P605_J45_class_00_final_volume.mrc as #2, grid size |
| 9524 | | 256,256,256, pixel 1.45, shown at level 0.0414, step 1, values float32 |
| 9525 | | |
| 9526 | | > open /Users/oswanson/Downloads/cryosparc_P605_J23_class_00_final_volume.mrc |
| 9527 | | |
| 9528 | | Opened cryosparc_P605_J23_class_00_final_volume.mrc as #3, grid size |
| 9529 | | 128,128,128, pixel 2.9, shown at level 0.115, step 1, values float32 |
| 9530 | | |
| 9531 | | > hide #!2 models |
| 9532 | | |
| 9533 | | > hide #!3 models |
| 9534 | | |
| 9535 | | > hide #16 models |
| 9536 | | |
| 9537 | | > hide #!17 models |
| 9538 | | |
| 9539 | | > volume #1 level 0.1315 |
| 9540 | | |
| 9541 | | Drag select of 1 cryosparc_P605_J52_005_volume_map_sharp.mrc |
| 9542 | | |
| 9543 | | > select clear |
| 9544 | | |
| 9545 | | > volume #1 level 0.1798 |
| 9546 | | |
| 9547 | | > show #16 models |
| 9548 | | |
| 9549 | | > hide #16 models |
| 9550 | | |
| 9551 | | > show #16 models |
| 9552 | | |
| 9553 | | > select add #16 |
| 9554 | | |
| 9555 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 9556 | | |
| 9557 | | > ui mousemode right "move picked models" |
| 9558 | | |
| 9559 | | > select clear |
| 9560 | | |
| 9561 | | > select add #16 |
| 9562 | | |
| 9563 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 9564 | | |
| 9565 | | > select subtract #16 |
| 9566 | | |
| 9567 | | Nothing selected |
| 9568 | | |
| 9569 | | > select add #16 |
| 9570 | | |
| 9571 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 9572 | | |
| 9573 | | > ui mousemode right "translate selected models" |
| 9574 | | |
| 9575 | | > view matrix models #16,1,0,0,251.43,0,1,0,74.5,0,0,1,126.23 |
| 9576 | | |
| 9577 | | > ui mousemode right "rotate selected models" |
| 9578 | | |
| 9579 | | > view matrix models |
| 9580 | | > #16,0.56617,0.046792,-0.82296,254.29,0.5826,0.68356,0.43968,72.162,0.58311,-0.72839,0.35975,126.33 |
| 9581 | | |
| 9582 | | > ui mousemode right "translate selected models" |
| 9583 | | |
| 9584 | | > view matrix models |
| 9585 | | > #16,0.56617,0.046792,-0.82296,192.3,0.5826,0.68356,0.43968,179.37,0.58311,-0.72839,0.35975,272.53 |
| 9586 | | |
| 9587 | | > hide #16 models |
| 9588 | | |
| 9589 | | > show #16 models |
| 9590 | | |
| 9591 | | > hide #!1 models |
| 9592 | | |
| 9593 | | > show #!1 models |
| 9594 | | |
| 9595 | | > ui mousemode right "rotate selected models" |
| 9596 | | |
| 9597 | | > view matrix models |
| 9598 | | > #16,-0.38773,-0.54695,-0.74196,192.02,0.74337,0.29041,-0.60255,181.59,0.54504,-0.78518,0.29398,272.66 |
| 9599 | | |
| 9600 | | > transparency #1.1 50 |
| 9601 | | |
| 9602 | | > ui tool show "Fit in Map" |
| 9603 | | |
| 9604 | | > fitmap #16 inMap #1 |
| 9605 | | |
| 9606 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 9607 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 9608 | | average map value = 0.02551, steps = 112 |
| 9609 | | shifted from previous position = 5.67 |
| 9610 | | rotated from previous position = 6.57 degrees |
| 9611 | | atoms outside contour = 33233, contour level = 0.17978 |
| 9612 | | |
| 9613 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 9614 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 9615 | | Matrix rotation and translation |
| 9616 | | -0.39844947 -0.54410540 -0.73836800 190.02273044 |
| 9617 | | 0.79663890 0.19365023 -0.57259590 186.77602359 |
| 9618 | | 0.45453767 -0.81636320 0.35629570 271.90745353 |
| 9619 | | Axis -0.13459712 -0.65866778 0.74029749 |
| 9620 | | Axis point 24.61963021 298.99662788 0.00000000 |
| 9621 | | Rotation angle (degrees) 115.10331204 |
| 9622 | | Shift along axis 52.69254484 |
| 9623 | | |
| 9624 | | |
| 9625 | | > select up |
| 9626 | | |
| 9627 | | 35830 atoms, 36512 bonds, 4496 residues, 9 models selected |
| 9628 | | |
| 9629 | | > select down |
| 9630 | | |
| 9631 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 9632 | | |
| 9633 | | > select down |
| 9634 | | |
| 9635 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 9636 | | |
| 9637 | | > select down |
| 9638 | | |
| 9639 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 9640 | | |
| 9641 | | > select down |
| 9642 | | |
| 9643 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 9644 | | |
| 9645 | | > select down |
| 9646 | | |
| 9647 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 9648 | | |
| 9649 | | > select down |
| 9650 | | |
| 9651 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 9652 | | |
| 9653 | | > select up |
| 9654 | | |
| 9655 | | 35830 atoms, 36512 bonds, 4496 residues, 9 models selected |
| 9656 | | |
| 9657 | | > select up |
| 9658 | | |
| 9659 | | 35830 atoms, 36512 bonds, 4496 residues, 9 models selected |
| 9660 | | |
| 9661 | | > select up |
| 9662 | | |
| 9663 | | 35830 atoms, 36512 bonds, 4496 residues, 9 models selected |
| 9664 | | |
| 9665 | | > select up |
| 9666 | | |
| 9667 | | 35830 atoms, 36512 bonds, 4496 residues, 9 models selected |
| 9668 | | |
| 9669 | | > select up |
| 9670 | | |
| 9671 | | 35830 atoms, 36512 bonds, 4496 residues, 9 models selected |
| 9672 | | |
| 9673 | | > combine #16 |
| 9674 | | |
| 9675 | | > hide #16 models |
| 9676 | | |
| 9677 | | > view matrix models |
| 9678 | | > #16,-0.4592,-0.20322,-0.86478,161.58,0.79591,0.33825,-0.50211,178.98,0.39455,-0.91885,0.0064224,267.12,#17,0.93206,0.090002,-0.35094,63.084,-0.13043,0.98706,-0.093261,44.764,0.338,0.1327,0.93174,-75.241,#1,0.93206,0.090002,-0.35094,63.084,-0.13043,0.98706,-0.093261,44.764,0.338,0.1327,0.93174,-75.241,#2,0.93206,0.090002,-0.35094,63.084,-0.13043,0.98706,-0.093261,44.764,0.338,0.1327,0.93174,-75.241,#3,0.93206,0.090002,-0.35094,63.084,-0.13043,0.98706,-0.093261,44.764,0.338,0.1327,0.93174,-75.241 |
| 9679 | | |
| 9680 | | > undo |
| 9681 | | |
| 9682 | | > select subtract #1 |
| 9683 | | |
| 9684 | | 35830 atoms, 36512 bonds, 4496 residues, 7 models selected |
| 9685 | | |
| 9686 | | > select subtract #2 |
| 9687 | | |
| 9688 | | 35830 atoms, 36512 bonds, 4496 residues, 5 models selected |
| 9689 | | |
| 9690 | | > select subtract #3 |
| 9691 | | |
| 9692 | | 35830 atoms, 36512 bonds, 4496 residues, 3 models selected |
| 9693 | | |
| 9694 | | > select subtract #16 |
| 9695 | | |
| 9696 | | 2 models selected |
| 9697 | | |
| 9698 | | > select subtract #17 |
| 9699 | | |
| 9700 | | Nothing selected |
| 9701 | | |
| 9702 | | > show #16 models |
| 9703 | | |
| 9704 | | > select add #4 |
| 9705 | | |
| 9706 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 9707 | | |
| 9708 | | > view matrix models |
| 9709 | | > #4,0.10637,-0.45445,-0.8844,190.1,-0.8361,-0.52228,0.16781,185.06,-0.53816,0.7216,-0.43552,277.63 |
| 9710 | | |
| 9711 | | > ui mousemode right "translate selected models" |
| 9712 | | |
| 9713 | | > view matrix models |
| 9714 | | > #4,0.10637,-0.45445,-0.8844,203.66,-0.8361,-0.52228,0.16781,179.65,-0.53816,0.7216,-0.43552,96.334 |
| 9715 | | |
| 9716 | | > fitmap #4 inMap #1 |
| 9717 | | |
| 9718 | | Fit molecule copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) to map |
| 9719 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 9720 | | average map value = 0.02552, steps = 228 |
| 9721 | | shifted from previous position = 16.3 |
| 9722 | | rotated from previous position = 6.81 degrees |
| 9723 | | atoms outside contour = 33525, contour level = 0.17978 |
| 9724 | | |
| 9725 | | Position of copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) relative to |
| 9726 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 9727 | | Matrix rotation and translation |
| 9728 | | 0.18892573 -0.37307282 -0.90836325 188.74522050 |
| 9729 | | -0.81392816 -0.57700782 0.06769757 173.07520212 |
| 9730 | | -0.54938881 0.72655259 -0.41266609 94.69324234 |
| 9731 | | Axis 0.75710159 -0.41250367 -0.50659442 |
| 9732 | | Axis point 0.00000000 121.83472913 138.13230218 |
| 9733 | | Rotation angle (degrees) 154.20728304 |
| 9734 | | Shift along axis 23.53408244 |
| 9735 | | |
| 9736 | | |
| 9737 | | > hide #!1 models |
| 9738 | | |
| 9739 | | > show #!1 models |
| 9740 | | |
| 9741 | | > view matrix models |
| 9742 | | > #4,0.18893,-0.37307,-0.90836,198.73,-0.81393,-0.57701,0.067698,180.73,-0.54939,0.72655,-0.41267,94.573 |
| 9743 | | |
| 9744 | | > ui mousemode right "rotate selected models" |
| 9745 | | |
| 9746 | | > view matrix models |
| 9747 | | > #4,0.29527,-0.31847,-0.90077,198.69,-0.79417,-0.60594,-0.046092,180.99,-0.53114,0.72898,-0.43184,94.615 |
| 9748 | | |
| 9749 | | > view matrix models |
| 9750 | | > #4,0.9147,0.3554,0.19241,196.04,0.31964,-0.34483,-0.88257,182.75,-0.24732,0.86878,-0.42901,94.559 |
| 9751 | | |
| 9752 | | > view matrix models |
| 9753 | | > #4,0.86991,0.46396,0.16731,196.33,0.2363,-0.094317,-0.96709,183.48,-0.43292,0.88082,-0.19168,94.074 |
| 9754 | | |
| 9755 | | > view matrix models |
| 9756 | | > #4,0.091797,0.19202,0.97709,194.3,0.91711,0.36596,-0.15808,181.23,-0.38793,0.9106,-0.1425,93.937 |
| 9757 | | |
| 9758 | | > hide #4 models |
| 9759 | | |
| 9760 | | > hide #!1 models |
| 9761 | | |
| 9762 | | > show #4 models |
| 9763 | | |
| 9764 | | > view matrix models |
| 9765 | | > #4,0.098519,0.18624,0.97755,194.29,0.91632,0.36617,-0.16211,181.25,-0.38814,0.91172,-0.13459,93.916 |
| 9766 | | |
| 9767 | | > view matrix models |
| 9768 | | > #4,0.22392,0.65435,0.72228,195.66,0.97264,-0.10301,-0.20821,180.57,-0.061839,0.74915,-0.65951,94.851 |
| 9769 | | |
| 9770 | | > view matrix models |
| 9771 | | > #4,0.11714,0.64063,0.75886,195.63,0.89902,0.25624,-0.3551,181.64,-0.42194,0.72383,-0.54593,94.83 |
| 9772 | | |
| 9773 | | > view matrix models |
| 9774 | | > #4,-0.51937,-0.04866,-0.85316,199.78,-0.73329,-0.48726,0.47419,179.62,-0.43879,0.8719,0.21739,92.887 |
| 9775 | | |
| 9776 | | > view matrix models |
| 9777 | | > #4,-0.51813,-0.047949,-0.85396,199.78,-0.73652,-0.48258,0.47398,179.63,-0.43483,0.87454,0.21473,92.895 |
| 9778 | | |
| 9779 | | > fitmap #4 inMap #1 |
| 9780 | | |
| 9781 | | Fit molecule copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) to map |
| 9782 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 9783 | | average map value = 0.02196, steps = 252 |
| 9784 | | shifted from previous position = 21.3 |
| 9785 | | rotated from previous position = 15.8 degrees |
| 9786 | | atoms outside contour = 33403, contour level = 0.17978 |
| 9787 | | |
| 9788 | | Position of copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) relative to |
| 9789 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 9790 | | Matrix rotation and translation |
| 9791 | | -0.41550158 -0.11613734 -0.90214776 180.80356337 |
| 9792 | | -0.86176437 -0.26711732 0.43128940 180.04918454 |
| 9793 | | -0.29106810 0.95664019 0.01090465 102.61544368 |
| 9794 | | Axis 0.47850771 -0.55659253 -0.67914294 |
| 9795 | | Axis point 155.97061527 -0.61103272 0.00000000 |
| 9796 | | Rotation angle (degrees) 146.70519388 |
| 9797 | | Shift along axis -83.38868580 |
| 9798 | | |
| 9799 | | |
| 9800 | | > show #!1 models |
| 9801 | | |
| 9802 | | > hide #16 models |
| 9803 | | |
| 9804 | | > hide #4 models |
| 9805 | | |
| 9806 | | > show #4 models |
| 9807 | | |
| 9808 | | > hide #!1 models |
| 9809 | | |
| 9810 | | > show sel surfaces |
| 9811 | | |
| 9812 | | > show #!1 models |
| 9813 | | |
| 9814 | | > hide #!1 models |
| 9815 | | |
| 9816 | | > view matrix models |
| 9817 | | > #4,0.24231,0.83862,0.48785,177.58,0.86634,0.039325,-0.49791,180.74,-0.43674,0.54329,-0.717,104.17 |
| 9818 | | |
| 9819 | | > show #!1 models |
| 9820 | | |
| 9821 | | > view matrix models |
| 9822 | | > #4,0.29279,0.56852,0.7688,175.81,0.83406,0.24132,-0.49609,181.29,-0.46757,0.78648,-0.40352,103.68 |
| 9823 | | |
| 9824 | | > view matrix models |
| 9825 | | > #4,0.28705,0.60074,0.74614,175.97,0.83717,0.22125,-0.5002,181.25,-0.46557,0.76822,-0.43941,103.75 |
| 9826 | | |
| 9827 | | > hide sel atoms |
| 9828 | | |
| 9829 | | > show sel cartoons |
| 9830 | | |
| 9831 | | > hide sel surfaces |
| 9832 | | |
| 9833 | | > fitmap #4 inMap #1 |
| 9834 | | |
| 9835 | | Fit molecule copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) to map |
| 9836 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 9837 | | average map value = 0.02541, steps = 116 |
| 9838 | | shifted from previous position = 3.44 |
| 9839 | | rotated from previous position = 2.75 degrees |
| 9840 | | atoms outside contour = 33396, contour level = 0.17978 |
| 9841 | | |
| 9842 | | Position of copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) relative to |
| 9843 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 9844 | | Matrix rotation and translation |
| 9845 | | 0.24909426 0.59258494 0.76602556 178.89606311 |
| 9846 | | 0.83930792 0.26257111 -0.47604480 179.61164172 |
| 9847 | | -0.48323317 0.76151133 -0.43195628 104.75578622 |
| 9848 | | Axis 0.69694492 0.70353538 0.13894508 |
| 9849 | | Axis point 29.80507567 0.00000000 37.32606388 |
| 9850 | | Rotation angle (degrees) 117.39649343 |
| 9851 | | Shift along axis 265.59914953 |
| 9852 | | |
| 9853 | | |
| 9854 | | > color #1 #73fdffff models |
| 9855 | | |
| 9856 | | > color #1 #73fdff7e models |
| 9857 | | |
| 9858 | | > show #16 models |
| 9859 | | |
| 9860 | | > volume #1 level 0.1843 |
| 9861 | | |
| 9862 | | > volume #1 level 0.182 |
| 9863 | | |
| 9864 | | > surface dust #1 size 14.5 |
| 9865 | | |
| 9866 | | > ui mousemode right select |
| 9867 | | |
| 9868 | | Drag select of 1689 residues |
| 9869 | | |
| 9870 | | > select up |
| 9871 | | |
| 9872 | | 14802 atoms, 15071 bonds, 1857 residues, 4 models selected |
| 9873 | | |
| 9874 | | > select up |
| 9875 | | |
| 9876 | | 17915 atoms, 18256 bonds, 2248 residues, 4 models selected |
| 9877 | | |
| 9878 | | > select up |
| 9879 | | |
| 9880 | | 35830 atoms, 36512 bonds, 4496 residues, 4 models selected |
| 9881 | | |
| 9882 | | > select down |
| 9883 | | |
| 9884 | | 17915 atoms, 18256 bonds, 2248 residues, 7 models selected |
| 9885 | | |
| 9886 | | > delete atoms (#!4 & sel) |
| 9887 | | |
| 9888 | | > delete bonds (#!4 & sel) |
| 9889 | | |
| 9890 | | > fitmap #4 inMap #1 |
| 9891 | | |
| 9892 | | Fit molecule copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) to map |
| 9893 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 17915 atoms |
| 9894 | | average map value = 0.053, steps = 52 |
| 9895 | | shifted from previous position = 0.264 |
| 9896 | | rotated from previous position = 1.64 degrees |
| 9897 | | atoms outside contour = 15515, contour level = 0.18205 |
| 9898 | | |
| 9899 | | Position of copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) relative to |
| 9900 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 9901 | | Matrix rotation and translation |
| 9902 | | 0.26529394 0.57167712 0.77640480 180.26796487 |
| 9903 | | 0.83656024 0.26387438 -0.48014300 179.40307714 |
| 9904 | | -0.47936011 0.77688840 -0.40823808 104.79232831 |
| 9905 | | Axis 0.69973038 0.69902538 0.14744800 |
| 9906 | | Axis point 0.00000000 -29.51186539 30.17715972 |
| 9907 | | Rotation angle (degrees) 116.07420772 |
| 9908 | | Shift along axis 266.99769535 |
| 9909 | | |
| 9910 | | |
| 9911 | | > select add #4 |
| 9912 | | |
| 9913 | | 17915 atoms, 18256 bonds, 2248 residues, 1 model selected |
| 9914 | | |
| 9915 | | > ui mousemode right "rotate selected models" |
| 9916 | | |
| 9917 | | > view matrix models |
| 9918 | | > #4,-0.28105,0.41568,0.865,178.89,0.88896,0.45238,0.07144,180.7,-0.36161,0.78903,-0.49666,104.95 |
| 9919 | | |
| 9920 | | > view matrix models |
| 9921 | | > #4,-0.57757,-0.009911,0.81628,187.49,0.33218,-0.91625,0.22391,217.2,0.7457,0.40048,0.53249,143.43 |
| 9922 | | |
| 9923 | | > ui mousemode right "translate selected models" |
| 9924 | | |
| 9925 | | > view matrix models |
| 9926 | | > #4,-0.57757,-0.009911,0.81628,188.27,0.33218,-0.91625,0.22391,216.04,0.7457,0.40048,0.53249,131.46 |
| 9927 | | |
| 9928 | | > ui mousemode right "rotate selected models" |
| 9929 | | |
| 9930 | | > view matrix models |
| 9931 | | > #4,-0.59219,-0.011829,0.80571,188.01,0.29067,-0.93571,0.19991,215.81,0.75154,0.35258,0.55756,133.3 |
| 9932 | | |
| 9933 | | > fitmap #4 inMap #1 |
| 9934 | | |
| 9935 | | Fit molecule copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) to map |
| 9936 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 17915 atoms |
| 9937 | | average map value = 0.0596, steps = 236 |
| 9938 | | shifted from previous position = 23.8 |
| 9939 | | rotated from previous position = 32.2 degrees |
| 9940 | | atoms outside contour = 15550, contour level = 0.18205 |
| 9941 | | |
| 9942 | | Position of copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) relative to |
| 9943 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 9944 | | Matrix rotation and translation |
| 9945 | | -0.15230889 0.25759098 0.95417447 180.22911477 |
| 9946 | | 0.10867085 -0.95521977 0.27521963 220.55572962 |
| 9947 | | 0.98234041 0.14560933 0.11749582 158.81578038 |
| 9948 | | Axis -0.64992799 -0.14123747 -0.74675671 |
| 9949 | | Axis point 27.12258547 95.03239742 0.00000000 |
| 9950 | | Rotation angle (degrees) 174.27745516 |
| 9951 | | Shift along axis -266.88342951 |
| 9952 | | |
| 9953 | | |
| 9954 | | > view matrix models |
| 9955 | | > #4,-0.023921,0.11317,0.99329,186.81,-0.91464,-0.40356,0.023952,187.19,0.40356,-0.90793,0.11316,183.51 |
| 9956 | | |
| 9957 | | > view matrix models |
| 9958 | | > #4,0.86467,-0.26556,-0.4264,193.69,-0.31079,-0.94969,-0.038764,211.21,-0.39466,0.16604,-0.9037,128.18 |
| 9959 | | |
| 9960 | | > hide #16 models |
| 9961 | | |
| 9962 | | > show #16 models |
| 9963 | | |
| 9964 | | > view matrix models |
| 9965 | | > #4,0.8809,-0.19269,-0.4323,191.6,-0.22048,-0.97528,-0.014569,213.47,-0.41881,0.10815,-0.90161,129.67 |
| 9966 | | |
| 9967 | | > view matrix models |
| 9968 | | > #4,0.81876,-0.1335,-0.5584,187.49,-0.21735,-0.97228,-0.086245,212.59,-0.5314,0.19198,-0.82508,126.49 |
| 9969 | | |
| 9970 | | > view matrix models |
| 9971 | | > #4,-0.68377,0.31464,-0.65838,152.75,0.57787,0.78442,-0.22529,167.47,0.44556,-0.5345,-0.71818,162.94 |
| 9972 | | |
| 9973 | | > view matrix models |
| 9974 | | > #4,-0.76635,0.52854,0.36518,156.97,0.63368,0.7154,0.29436,176.35,-0.10567,0.45699,-0.88317,123.29 |
| 9975 | | |
| 9976 | | > ui mousemode right "translate selected models" |
| 9977 | | |
| 9978 | | > view matrix models |
| 9979 | | > #4,-0.76635,0.52854,0.36518,150.69,0.63368,0.7154,0.29436,181.66,-0.10567,0.45699,-0.88317,109.99 |
| 9980 | | |
| 9981 | | > ui mousemode right "rotate selected models" |
| 9982 | | |
| 9983 | | > view matrix models |
| 9984 | | > #4,-0.65517,0.61494,0.43885,150.36,0.73556,0.65173,0.1849,183.69,-0.17231,0.44394,-0.87933,109.56 |
| 9985 | | |
| 9986 | | > view matrix models |
| 9987 | | > #4,-0.76882,0.5424,0.3387,149.93,0.49591,0.84012,-0.21971,170.04,-0.40372,-0.00095226,-0.91488,119.77 |
| 9988 | | |
| 9989 | | > view matrix models |
| 9990 | | > #4,-0.02401,0.47969,0.87711,167.92,0.26947,0.84799,-0.45639,164.07,-0.96271,0.2254,-0.14962,114.33 |
| 9991 | | |
| 9992 | | > ui mousemode right "translate selected models" |
| 9993 | | |
| 9994 | | > view matrix models |
| 9995 | | > #4,-0.02401,0.47969,0.87711,166.32,0.26947,0.84799,-0.45639,148.6,-0.96271,0.2254,-0.14962,121.59 |
| 9996 | | |
| 9997 | | > ui mousemode right "rotate selected models" |
| 9998 | | |
| 9999 | | > view matrix models |
| 10000 | | > #4,0.11936,0.52233,0.84435,166.52,0.65667,0.59632,-0.46172,161.37,-0.74467,0.60957,-0.27182,111.24 |
| 10001 | | |
| 10002 | | > ui mousemode right "translate selected models" |
| 10003 | | |
| 10004 | | > view matrix models |
| 10005 | | > #4,0.11936,0.52233,0.84435,171.68,0.65667,0.59632,-0.46172,184.72,-0.74467,0.60957,-0.27182,110.91 |
| 10006 | | |
| 10007 | | > fitmap #4 inMap #1 |
| 10008 | | |
| 10009 | | Fit molecule copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) to map |
| 10010 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 17915 atoms |
| 10011 | | average map value = 0.05302, steps = 88 |
| 10012 | | shifted from previous position = 7.14 |
| 10013 | | rotated from previous position = 5.08 degrees |
| 10014 | | atoms outside contour = 15522, contour level = 0.18205 |
| 10015 | | |
| 10016 | | Position of copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) relative to |
| 10017 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10018 | | Matrix rotation and translation |
| 10019 | | 0.17959804 0.46678727 0.86594119 179.64862220 |
| 10020 | | 0.67601034 0.58092839 -0.45335658 181.25416971 |
| 10021 | | -0.71467093 0.66680716 -0.21121943 107.52467305 |
| 10022 | | Axis 0.57486824 0.81117044 0.10737332 |
| 10023 | | Axis point 64.51605416 0.00000000 27.49417563 |
| 10024 | | Rotation angle (degrees) 103.02325425 |
| 10025 | | Shift along axis 261.84759214 |
| 10026 | | |
| 10027 | | |
| 10028 | | > open pdb:6QWL) |
| 10029 | | |
| 10030 | | PDB identifiers are either 4 or 8 characters long, got "6QWL)" |
| 10031 | | |
| 10032 | | > open pdb:6QWL |
| 10033 | | |
| 10034 | | 6qwl title: |
| 10035 | | Influenza B virus (B/Panama/45) polymerase Hetermotrimer in complex with 3'5' |
| 10036 | | cRNA promoter [more info...] |
| 10037 | | |
| 10038 | | Chain information for 6qwl #5 |
| 10039 | | --- |
| 10040 | | Chain | Description | UniProt |
| 10041 | | E | Polymerase acidic protein | PA_INBP9 1-726 |
| 10042 | | K | RNA-directed RNA polymerase catalytic subunit | RDRP_INBP9 1-752 |
| 10043 | | Q | Polymerase basic protein 2 | PB2_INBP9 1-770 |
| 10044 | | T | 3' cRNA | |
| 10045 | | W | 5' cRNA | |
| 10046 | | |
| 10047 | | |
| 10048 | | > hide #16 models |
| 10049 | | |
| 10050 | | > hide #!4 models |
| 10051 | | |
| 10052 | | > select add #5 |
| 10053 | | |
| 10054 | | 28323 atoms, 28924 bonds, 24 pseudobonds, 3518 residues, 7 models selected |
| 10055 | | |
| 10056 | | > select subtract #4 |
| 10057 | | |
| 10058 | | 10408 atoms, 10668 bonds, 24 pseudobonds, 1270 residues, 6 models selected |
| 10059 | | |
| 10060 | | > hide sel atoms |
| 10061 | | |
| 10062 | | > show sel cartoons |
| 10063 | | |
| 10064 | | > ui mousemode right "rotate selected models" |
| 10065 | | |
| 10066 | | > view matrix models |
| 10067 | | > #5,0.48454,-0.1978,-0.85211,215.56,0.80712,0.47671,0.3483,-86.856,0.33732,-0.85652,0.39063,155.64 |
| 10068 | | |
| 10069 | | > view matrix models |
| 10070 | | > #5,0.45306,-0.064033,-0.88918,206.75,0.74408,0.5765,0.33762,-90.406,0.491,-0.81458,0.30884,140.38 |
| 10071 | | |
| 10072 | | > ui mousemode right "translate selected models" |
| 10073 | | |
| 10074 | | > view matrix models |
| 10075 | | > #5,0.45306,-0.064033,-0.88918,254.92,0.74408,0.5765,0.33762,-51.664,0.491,-0.81458,0.30884,143.9 |
| 10076 | | |
| 10077 | | > ui mousemode right "rotate selected models" |
| 10078 | | |
| 10079 | | > view matrix models |
| 10080 | | > #5,0.050603,-0.42079,-0.90575,360.63,0.8555,0.48621,-0.17809,17.185,0.51532,-0.76586,0.38459,123.41 |
| 10081 | | |
| 10082 | | > fitmap #5 inMap #1 |
| 10083 | | |
| 10084 | | Fit molecule 6qwl (#5) to map cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) |
| 10085 | | using 10408 atoms |
| 10086 | | average map value = 0.08691, steps = 136 |
| 10087 | | shifted from previous position = 4.69 |
| 10088 | | rotated from previous position = 9.6 degrees |
| 10089 | | atoms outside contour = 8202, contour level = 0.18205 |
| 10090 | | |
| 10091 | | Position of 6qwl (#5) relative to cryosparc_P605_J52_005_volume_map_sharp.mrc |
| 10092 | | (#1) coordinates: |
| 10093 | | Matrix rotation and translation |
| 10094 | | -0.00388935 -0.38545341 -0.92271910 364.68437376 |
| 10095 | | 0.76695492 0.59095802 -0.25009751 29.83861543 |
| 10096 | | 0.64168919 -0.70865667 0.29332695 110.32807559 |
| 10097 | | Axis -0.22969067 -0.78360661 0.57723728 |
| 10098 | | Axis point 96.58544641 0.00000000 279.32739026 |
| 10099 | | Rotation angle (degrees) 93.42845885 |
| 10100 | | Shift along axis -43.46085772 |
| 10101 | | |
| 10102 | | |
| 10103 | | > view matrix models |
| 10104 | | > #5,-0.36242,-0.7007,-0.61455,413.61,-0.57983,-0.34674,0.73728,203.67,-0.7297,0.62353,-0.28062,195 |
| 10105 | | |
| 10106 | | > ui mousemode right "translate selected models" |
| 10107 | | |
| 10108 | | > view matrix models |
| 10109 | | > #5,-0.36242,-0.7007,-0.61455,415.44,-0.57983,-0.34674,0.73728,210.86,-0.7297,0.62353,-0.28062,205.3 |
| 10110 | | |
| 10111 | | > fitmap #5 inMap #1 |
| 10112 | | |
| 10113 | | Fit molecule 6qwl (#5) to map cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) |
| 10114 | | using 10408 atoms |
| 10115 | | average map value = 0.08371, steps = 148 |
| 10116 | | shifted from previous position = 3.44 |
| 10117 | | rotated from previous position = 13.1 degrees |
| 10118 | | atoms outside contour = 8245, contour level = 0.18205 |
| 10119 | | |
| 10120 | | Position of 6qwl (#5) relative to cryosparc_P605_J52_005_volume_map_sharp.mrc |
| 10121 | | (#1) coordinates: |
| 10122 | | Matrix rotation and translation |
| 10123 | | -0.19479346 -0.75405376 -0.62726266 401.27085647 |
| 10124 | | -0.48729216 -0.48060891 0.72908259 214.91956598 |
| 10125 | | -0.85123549 0.44768069 -0.27382501 242.11910519 |
| 10126 | | Axis -0.62842894 0.50017791 0.59573411 |
| 10127 | | Axis point 0.00000000 289.01489686 291.84840551 |
| 10128 | | Rotation angle (degrees) 167.06219877 |
| 10129 | | Shift along axis -0.43359193 |
| 10130 | | |
| 10131 | | |
| 10132 | | > color #1 #73fdff7d models |
| 10133 | | |
| 10134 | | > color #1 #919191ff models |
| 10135 | | |
| 10136 | | > transparency #1.1 50 |
| 10137 | | |
| 10138 | | > ui mousemode right "rotate selected models" |
| 10139 | | |
| 10140 | | > view matrix models |
| 10141 | | > #5,-0.31775,-0.22971,-0.91993,387.18,-0.68979,-0.60968,0.3905,307.14,-0.65056,0.75863,0.035272,129.44 |
| 10142 | | |
| 10143 | | > view matrix models |
| 10144 | | > #5,0.015877,-0.74253,-0.66962,376.93,-0.1707,-0.66189,0.72991,196.46,-0.98519,0.10272,-0.13726,288.4 |
| 10145 | | |
| 10146 | | > view matrix models |
| 10147 | | > #5,0.16465,-0.65917,-0.73375,354.23,-0.49922,-0.69727,0.51438,275.94,-0.85069,0.2816,-0.44388,288.33 |
| 10148 | | |
| 10149 | | > view matrix models |
| 10150 | | > #5,0.23017,-0.69119,-0.68504,342.92,-0.48299,-0.69225,0.53619,270.01,-0.84483,0.20746,-0.49317,304.5 |
| 10151 | | |
| 10152 | | > view matrix models |
| 10153 | | > #5,-0.12458,-0.96183,-0.24366,366.73,-0.59043,-0.1255,0.79727,171.04,-0.79741,0.24319,-0.55226,301.39 |
| 10154 | | |
| 10155 | | > fitmap #5 inMap #1 |
| 10156 | | |
| 10157 | | Fit molecule 6qwl (#5) to map cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) |
| 10158 | | using 10408 atoms |
| 10159 | | average map value = 0.1689, steps = 148 |
| 10160 | | shifted from previous position = 3.71 |
| 10161 | | rotated from previous position = 25.5 degrees |
| 10162 | | atoms outside contour = 6171, contour level = 0.18205 |
| 10163 | | |
| 10164 | | Position of 6qwl (#5) relative to cryosparc_P605_J52_005_volume_map_sharp.mrc |
| 10165 | | (#1) coordinates: |
| 10166 | | Matrix rotation and translation |
| 10167 | | -0.20150913 -0.96146112 0.18704702 316.27169043 |
| 10168 | | -0.47814198 0.26322294 0.83791045 97.14518435 |
| 10169 | | -0.85485339 0.07941158 -0.51275675 322.91174794 |
| 10170 | | Axis -0.55107483 0.75697553 0.35114753 |
| 10171 | | Axis point 277.39544968 0.00000000 53.77065303 |
| 10172 | | Rotation angle (degrees) 136.51224532 |
| 10173 | | Shift along axis 12.63682405 |
| 10174 | | |
| 10175 | | |
| 10176 | | > ui tool show Matchmaker |
| 10177 | | |
| 10178 | | > matchmaker #!4 to #5 |
| 10179 | | |
| 10180 | | Parameters |
| 10181 | | --- |
| 10182 | | Chain pairing | bb |
| 10183 | | Alignment algorithm | Needleman-Wunsch |
| 10184 | | Similarity matrix | BLOSUM-62 |
| 10185 | | SS fraction | 0.3 |
| 10186 | | Gap open (HH/SS/other) | 18/18/6 |
| 10187 | | Gap extend | 1 |
| 10188 | | SS matrix | | | H | S | O |
| 10189 | | ---|---|---|--- |
| 10190 | | H | 6 | -9 | -6 |
| 10191 | | S | | 6 | -6 |
| 10192 | | O | | | 4 |
| 10193 | | Iteration cutoff | 2 |
| 10194 | | |
| 10195 | | Matchmaker 6qwl, chain K (#5) with copy of |
| 10196 | | fold_lee_rdrp_trimer_dimer_model_0.cif, chain D (#4), sequence alignment score |
| 10197 | | = 3220.4 |
| 10198 | | RMSD between 304 pruned atom pairs is 1.202 angstroms; (across all 539 pairs: |
| 10199 | | 3.076) |
| 10200 | | |
| 10201 | | |
| 10202 | | > show #!4 models |
| 10203 | | |
| 10204 | | > select subtract #5 |
| 10205 | | |
| 10206 | | Nothing selected |
| 10207 | | |
| 10208 | | > select add #4 |
| 10209 | | |
| 10210 | | 17915 atoms, 18256 bonds, 2248 residues, 1 model selected |
| 10211 | | |
| 10212 | | > show #!17 models |
| 10213 | | |
| 10214 | | > hide #!17 models |
| 10215 | | |
| 10216 | | > show #16 models |
| 10217 | | |
| 10218 | | > fitmap #16 inMap #1 |
| 10219 | | |
| 10220 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 10221 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 10222 | | average map value = 0.02551, steps = 60 |
| 10223 | | shifted from previous position = 0.0203 |
| 10224 | | rotated from previous position = 0.00899 degrees |
| 10225 | | atoms outside contour = 33282, contour level = 0.18205 |
| 10226 | | |
| 10227 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 10228 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10229 | | Matrix rotation and translation |
| 10230 | | -0.39853761 -0.54398284 -0.73841074 190.01468401 |
| 10231 | | 0.79662785 0.19364235 -0.57261393 186.77367422 |
| 10232 | | 0.45447975 -0.81644674 0.35617813 271.88910101 |
| 10233 | | Axis -0.13464073 -0.65869580 0.74026463 |
| 10234 | | Axis point 24.64103535 298.98613745 0.00000000 |
| 10235 | | Rotation angle (degrees) 115.11006970 |
| 10236 | | Shift along axis 52.65913301 |
| 10237 | | |
| 10238 | | |
| 10239 | | > select subtract #4 |
| 10240 | | |
| 10241 | | 3 models selected |
| 10242 | | |
| 10243 | | > select add #16 |
| 10244 | | |
| 10245 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 10246 | | |
| 10247 | | > show #!17 models |
| 10248 | | |
| 10249 | | > hide #!17 models |
| 10250 | | |
| 10251 | | > view matrix models |
| 10252 | | > #16,0.1141,0.64355,0.75685,187.13,-0.64769,-0.52948,0.54786,183.77,0.75332,-0.55271,0.35641,272.03 |
| 10253 | | |
| 10254 | | > ui mousemode right "translate selected models" |
| 10255 | | |
| 10256 | | > view matrix models |
| 10257 | | > #16,0.1141,0.64355,0.75685,184.9,-0.64769,-0.52948,0.54786,187.5,0.75332,-0.55271,0.35641,265.25 |
| 10258 | | |
| 10259 | | > hide #!4 models |
| 10260 | | |
| 10261 | | > hide #!5 models |
| 10262 | | |
| 10263 | | > fitmap #16 inMap #1 |
| 10264 | | |
| 10265 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 10266 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 10267 | | average map value = 0.02838, steps = 180 |
| 10268 | | shifted from previous position = 5.62 |
| 10269 | | rotated from previous position = 6.17 degrees |
| 10270 | | atoms outside contour = 33146, contour level = 0.18205 |
| 10271 | | |
| 10272 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 10273 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10274 | | Matrix rotation and translation |
| 10275 | | 0.01994521 0.60736919 0.79416928 179.51516129 |
| 10276 | | -0.65851942 -0.58971028 0.46754034 187.91497589 |
| 10277 | | 0.75229940 -0.53230108 0.38820251 264.25538255 |
| 10278 | | Axis -0.61960961 0.02594710 -0.78448115 |
| 10279 | | Axis point 48.77609816 103.12159126 0.00000000 |
| 10280 | | Rotation angle (degrees) 126.21246966 |
| 10281 | | Shift along axis -313.65683750 |
| 10282 | | |
| 10283 | | |
| 10284 | | > vop flip #1 |
| 10285 | | |
| 10286 | | Opened cryosparc_P605_J52_005_volume_map_sharp.mrc z flip as #6, grid size |
| 10287 | | 256,256,256, pixel 1.45, shown at step 1, values float32 |
| 10288 | | |
| 10289 | | > ui mousemode right "rotate selected models" |
| 10290 | | |
| 10291 | | > view matrix models |
| 10292 | | > #16,-0.12133,0.699,0.70475,180.06,-0.68181,-0.5747,0.45262,188,0.7214,-0.42559,0.54631,264 |
| 10293 | | |
| 10294 | | > hide #16 models |
| 10295 | | |
| 10296 | | > show #16 models |
| 10297 | | |
| 10298 | | > hide #!6 models |
| 10299 | | |
| 10300 | | > show sel atoms |
| 10301 | | |
| 10302 | | > show #!6 models |
| 10303 | | |
| 10304 | | > hide sel atoms |
| 10305 | | |
| 10306 | | > view matrix models |
| 10307 | | > #16,0.718,0.68504,0.12328,180.9,-0.38388,0.24199,0.89111,187.77,0.58061,-0.68715,0.43672,264.03 |
| 10308 | | |
| 10309 | | > fitmap #16 inMap #1 |
| 10310 | | |
| 10311 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 10312 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 10313 | | average map value = 0.0249, steps = 80 |
| 10314 | | shifted from previous position = 4.65 |
| 10315 | | rotated from previous position = 3.41 degrees |
| 10316 | | atoms outside contour = 33562, contour level = 0.18205 |
| 10317 | | |
| 10318 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 10319 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10320 | | Matrix rotation and translation |
| 10321 | | 0.73487227 0.67465663 0.06929052 176.95703039 |
| 10322 | | -0.33353775 0.27055661 0.90307901 185.23447248 |
| 10323 | | 0.59052124 -0.68675872 0.42384800 263.64725060 |
| 10324 | | Axis -0.81388768 -0.26683432 -0.51612624 |
| 10325 | | Axis point 0.00000000 135.09748730 1.37325732 |
| 10326 | | Rotation angle (degrees) 77.60568353 |
| 10327 | | Shift along axis -329.52532511 |
| 10328 | | |
| 10329 | | |
| 10330 | | > hide #!6 models |
| 10331 | | |
| 10332 | | > show #!6 models |
| 10333 | | |
| 10334 | | > hide #16 models |
| 10335 | | |
| 10336 | | > show #16 models |
| 10337 | | |
| 10338 | | > hide #16 models |
| 10339 | | |
| 10340 | | > show #16 models |
| 10341 | | |
| 10342 | | > hide #!6 models |
| 10343 | | |
| 10344 | | > view matrix models |
| 10345 | | > #16,-0.33118,-0.35995,0.87221,174,-0.69289,-0.53469,-0.48375,188.27,0.64049,-0.76455,-0.07233,264.9 |
| 10346 | | |
| 10347 | | > view matrix models |
| 10348 | | > #16,0.36725,0.23087,0.90101,174.2,-0.79748,-0.42039,0.43277,185.92,0.47869,-0.87748,0.029722,264.58 |
| 10349 | | |
| 10350 | | > show #!6 models |
| 10351 | | |
| 10352 | | > ui mousemode right "translate selected models" |
| 10353 | | |
| 10354 | | > view matrix models |
| 10355 | | > #16,0.36725,0.23087,0.90101,186.71,-0.79748,-0.42039,0.43277,192.68,0.47869,-0.87748,0.029722,264.67 |
| 10356 | | |
| 10357 | | > ui mousemode right "rotate selected models" |
| 10358 | | |
| 10359 | | > view matrix models |
| 10360 | | > #16,0.43264,0.14693,0.88951,186.54,-0.76249,-0.46683,0.44797,192.53,0.48107,-0.87206,-0.089941,265.02 |
| 10361 | | |
| 10362 | | > ui mousemode right "translate selected models" |
| 10363 | | |
| 10364 | | > view matrix models |
| 10365 | | > #16,0.43264,0.14693,0.88951,208.68,-0.76249,-0.46683,0.44797,180.75,0.48107,-0.87206,-0.089941,252.54 |
| 10366 | | |
| 10367 | | > ui mousemode right "rotate selected models" |
| 10368 | | |
| 10369 | | > view matrix models |
| 10370 | | > #16,0.76702,0.58202,0.27005,210.84,-0.39907,0.10318,0.9111,179.99,0.50241,-0.8066,0.31141,251.46 |
| 10371 | | |
| 10372 | | > ui mousemode right "translate selected models" |
| 10373 | | |
| 10374 | | > view matrix models |
| 10375 | | > #16,0.76702,0.58202,0.27005,208.01,-0.39907,0.10318,0.9111,172.91,0.50241,-0.8066,0.31141,251.22 |
| 10376 | | |
| 10377 | | > view matrix models |
| 10378 | | > #16,0.76702,0.58202,0.27005,211.96,-0.39907,0.10318,0.9111,171.63,0.50241,-0.8066,0.31141,260.99 |
| 10379 | | |
| 10380 | | > fitmap #16 inMap #1 |
| 10381 | | |
| 10382 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 10383 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 10384 | | average map value = 0.02231, steps = 224 |
| 10385 | | shifted from previous position = 10.2 |
| 10386 | | rotated from previous position = 1.79 degrees |
| 10387 | | atoms outside contour = 33327, contour level = 0.18205 |
| 10388 | | |
| 10389 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 10390 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10391 | | Matrix rotation and translation |
| 10392 | | 0.77823158 0.56022746 0.28372663 203.52624885 |
| 10393 | | -0.39690425 0.08867892 0.91356613 177.34075699 |
| 10394 | | 0.48664427 -0.82357830 0.29136940 261.79638330 |
| 10395 | | Axis -0.87130505 -0.10177805 -0.48007159 |
| 10396 | | Axis point 0.00000000 143.66502300 -15.03836672 |
| 10397 | | Rotation angle (degrees) 85.46086838 |
| 10398 | | Shift along axis -321.06385108 |
| 10399 | | |
| 10400 | | |
| 10401 | | > fitmap #16 inMap #1 |
| 10402 | | |
| 10403 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 10404 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 10405 | | average map value = 0.02231, steps = 76 |
| 10406 | | shifted from previous position = 0.0173 |
| 10407 | | rotated from previous position = 0.0136 degrees |
| 10408 | | atoms outside contour = 33332, contour level = 0.18205 |
| 10409 | | |
| 10410 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 10411 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10412 | | Matrix rotation and translation |
| 10413 | | 0.77827265 0.56020428 0.28365971 203.53331789 |
| 10414 | | -0.39673355 0.08853928 0.91365382 177.35615554 |
| 10415 | | 0.48671776 -0.82360909 0.29115953 261.79855369 |
| 10416 | | Axis -0.87135379 -0.10184722 -0.47996846 |
| 10417 | | Axis point 0.00000000 143.67151066 -15.00059713 |
| 10418 | | Rotation angle (degrees) 85.46973200 |
| 10419 | | Shift along axis -321.06780743 |
| 10420 | | |
| 10421 | | |
| 10422 | | > ui tool show "Side View" |
| 10423 | | |
| 10424 | | > ui mousemode right "rotate selected models" |
| 10425 | | |
| 10426 | | > view matrix models |
| 10427 | | > #16,0.40022,-0.13753,-0.90604,206.2,0.7783,0.57297,0.25682,178.9,0.48381,-0.80795,0.33636,261.7 |
| 10428 | | |
| 10429 | | > ui mousemode right "translate selected models" |
| 10430 | | |
| 10431 | | > view matrix models |
| 10432 | | > #16,0.40022,-0.13753,-0.90604,180.47,0.7783,0.57297,0.25682,184.54,0.48381,-0.80795,0.33636,262.43 |
| 10433 | | |
| 10434 | | > ui mousemode right "rotate selected models" |
| 10435 | | |
| 10436 | | > view matrix models |
| 10437 | | > #16,0.4171,-0.16282,-0.89416,180.38,0.76534,0.59354,0.24893,184.61,0.49018,-0.78816,0.37218,262.35 |
| 10438 | | |
| 10439 | | > view matrix models |
| 10440 | | > #16,0.11268,-0.37325,-0.92086,180.41,0.85955,0.50154,-0.098114,185.37,0.49847,-0.78047,0.37734,262.34 |
| 10441 | | |
| 10442 | | > ui mousemode right "translate selected models" |
| 10443 | | |
| 10444 | | > view matrix models |
| 10445 | | > #16,0.11268,-0.37325,-0.92086,189.14,0.85955,0.50154,-0.098114,183.83,0.49847,-0.78047,0.37734,262.09 |
| 10446 | | |
| 10447 | | > fitmap #16 inMap #1 |
| 10448 | | |
| 10449 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 10450 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 10451 | | average map value = 0.0263, steps = 152 |
| 10452 | | shifted from previous position = 13.4 |
| 10453 | | rotated from previous position = 11.6 degrees |
| 10454 | | atoms outside contour = 33251, contour level = 0.18205 |
| 10455 | | |
| 10456 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 10457 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10458 | | Matrix rotation and translation |
| 10459 | | 0.12557152 -0.41925935 -0.89914037 192.02988513 |
| 10460 | | 0.94026202 0.33938439 -0.02693680 196.79813862 |
| 10461 | | 0.31644771 -0.84204502 0.43683065 261.31997154 |
| 10462 | | Axis -0.40804640 -0.60852821 0.68058178 |
| 10463 | | Axis point 45.33098925 343.75436544 0.00000000 |
| 10464 | | Rotation angle (degrees) 92.81473995 |
| 10465 | | Shift along axis -20.26471141 |
| 10466 | | |
| 10467 | | |
| 10468 | | > show #!4 models |
| 10469 | | |
| 10470 | | > show #!5 models |
| 10471 | | |
| 10472 | | > hide #!4 models |
| 10473 | | |
| 10474 | | > hide #16 models |
| 10475 | | |
| 10476 | | > select add #5 |
| 10477 | | |
| 10478 | | 46238 atoms, 47180 bonds, 24 pseudobonds, 5766 residues, 4 models selected |
| 10479 | | |
| 10480 | | > ui mousemode right "rotate selected models" |
| 10481 | | |
| 10482 | | > view matrix models |
| 10483 | | > #16,0.28708,-0.49781,-0.81839,210.95,0.95538,0.21078,0.20692,219.86,0.069488,-0.84128,0.53611,253.35,#5,-0.38682,-0.89832,0.2083,329.92,-0.61393,0.41941,0.66872,117.84,-0.68809,0.13079,-0.71374,321.16 |
| 10484 | | |
| 10485 | | > ui mousemode right "translate selected models" |
| 10486 | | |
| 10487 | | > view matrix models |
| 10488 | | > #16,0.28708,-0.49781,-0.81839,195.41,0.95538,0.21078,0.20692,252.11,0.069488,-0.84128,0.53611,262.37,#5,-0.38682,-0.89832,0.2083,314.38,-0.61393,0.41941,0.66872,150.08,-0.68809,0.13079,-0.71374,330.18 |
| 10489 | | |
| 10490 | | > ui mousemode right "rotate selected models" |
| 10491 | | |
| 10492 | | > view matrix models |
| 10493 | | > #16,0.19764,-0.39104,-0.8989,177.32,0.95757,0.27323,0.091673,241.3,0.20976,-0.87888,0.42845,268.29,#5,-0.23715,-0.93829,0.25172,293.43,-0.55479,0.34351,0.75777,140.01,-0.79748,0.040055,-0.60202,341.9 |
| 10494 | | |
| 10495 | | > view matrix models |
| 10496 | | > #16,0.19657,-0.2309,-0.95291,159.56,0.97474,-0.059079,0.21539,279.39,-0.10603,-0.97118,0.21345,252.54,#5,-0.12386,-0.91849,0.37555,258.1,-0.80313,0.31506,0.50568,212.72,-0.58278,-0.23899,-0.77669,375.03 |
| 10497 | | |
| 10498 | | > ui mousemode right "translate selected models" |
| 10499 | | |
| 10500 | | > view matrix models |
| 10501 | | > #16,0.19657,-0.2309,-0.95291,176.42,0.97474,-0.059079,0.21539,269.81,-0.10603,-0.97118,0.21345,238.14,#5,-0.12386,-0.91849,0.37555,274.96,-0.80313,0.31506,0.50568,203.13,-0.58278,-0.23899,-0.77669,360.63 |
| 10502 | | |
| 10503 | | > ui mousemode right "rotate selected models" |
| 10504 | | |
| 10505 | | > view matrix models |
| 10506 | | > #16,0.3438,-0.70901,0.61572,296.36,-0.80947,0.10861,0.57704,181.51,-0.47599,-0.69679,-0.53658,161.69,#5,-0.82191,0.29977,-0.48436,323.33,0.56961,0.43803,-0.69547,166.6,0.0036824,-0.84751,-0.53077,329.65 |
| 10507 | | |
| 10508 | | > show #!1 models |
| 10509 | | |
| 10510 | | > hide #!6 models |
| 10511 | | |
| 10512 | | > view matrix models |
| 10513 | | > #16,0.35091,-0.69647,0.62593,295.94,-0.81158,0.10724,0.57432,181.42,-0.46712,-0.70953,-0.52761,163.73,#5,-0.82099,0.31529,-0.47598,319.92,0.57079,0.4347,-0.69658,167.05,-0.012718,-0.84358,-0.53686,332.19 |
| 10514 | | |
| 10515 | | > ui mousemode right "translate selected models" |
| 10516 | | |
| 10517 | | > view matrix models |
| 10518 | | > #16,0.35091,-0.69647,0.62593,299.05,-0.81158,0.10724,0.57432,160.11,-0.46712,-0.70953,-0.52761,171.09,#5,-0.82099,0.31529,-0.47598,323.03,0.57079,0.4347,-0.69658,145.74,-0.012718,-0.84358,-0.53686,339.55 |
| 10519 | | |
| 10520 | | > ui mousemode right "rotate selected models" |
| 10521 | | |
| 10522 | | > view matrix models |
| 10523 | | > #16,0.35176,-0.70192,0.61933,299.33,-0.79299,0.12813,0.59561,159.92,-0.49743,-0.70064,-0.51154,169.43,#5,-0.82394,0.30722,-0.47617,324.56,0.56653,0.46541,-0.68002,139.83,0.012699,-0.83006,-0.55752,337.12 |
| 10524 | | |
| 10525 | | > view matrix models |
| 10526 | | > #16,0.35088,-0.69633,0.6261,299.04,-0.81204,0.10671,0.57377,160.12,-0.46634,-0.70974,-0.528,171.13,#5,-0.82092,0.3155,-0.47598,322.99,0.57089,0.43392,-0.69699,145.89,-0.013365,-0.84391,-0.53633,339.61 |
| 10527 | | |
| 10528 | | > view matrix models |
| 10529 | | > #16,0.35157,-0.70048,0.62107,299.26,-0.79798,0.12267,0.59007,159.97,-0.48952,-0.70305,-0.51584,169.87,#5,-0.82319,0.30935,-0.4761,324.16,0.56774,0.45739,-0.68445,141.38,0.006026,-0.83373,-0.55214,337.78 |
| 10530 | | |
| 10531 | | > view matrix models |
| 10532 | | > #16,0.85038,0.4804,-0.21463,174.52,-0.34197,0.81463,0.46843,110.56,0.39988,-0.32495,0.85703,235.48,#5,-0.28695,0.14214,0.94734,76.122,0.69391,0.71262,0.10326,-20.104,-0.66042,0.687,-0.30312,186.43 |
| 10533 | | |
| 10534 | | > view matrix models |
| 10535 | | > #16,-0.10842,-0.79896,0.59153,284.91,0.81019,-0.41582,-0.41314,248.05,0.57606,0.43446,0.69239,164.02,#5,-0.53824,0.17122,-0.82521,352.76,-0.79679,-0.42246,0.43205,291.78,-0.27464,0.89006,0.36381,13.539 |
| 10536 | | |
| 10537 | | > view matrix models |
| 10538 | | > #16,-0.095734,-0.93158,-0.35071,258.24,0.86458,0.096785,-0.49309,197.97,0.4933,-0.35042,0.79616,239.92,#5,-0.46384,-0.72385,-0.51077,421,-0.49387,-0.26737,0.82741,174.46,-0.73549,0.63604,-0.23348,193.91 |
| 10539 | | |
| 10540 | | > fitmap #5 inMap #1 |
| 10541 | | |
| 10542 | | Fit molecule 6qwl (#5) to map cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) |
| 10543 | | using 10408 atoms |
| 10544 | | average map value = 0.08261, steps = 64 |
| 10545 | | shifted from previous position = 3.52 |
| 10546 | | rotated from previous position = 4.5 degrees |
| 10547 | | atoms outside contour = 8207, contour level = 0.18205 |
| 10548 | | |
| 10549 | | Position of 6qwl (#5) relative to cryosparc_P605_J52_005_volume_map_sharp.mrc |
| 10550 | | (#1) coordinates: |
| 10551 | | Matrix rotation and translation |
| 10552 | | -0.52522278 -0.70629917 -0.47463926 424.09664524 |
| 10553 | | -0.48619116 -0.20869868 0.84856523 159.72829574 |
| 10554 | | -0.69839753 0.67645123 -0.23378313 183.98646498 |
| 10555 | | Axis -0.48081314 0.62508522 0.61488795 |
| 10556 | | Axis point 286.35485513 -0.00000000 -17.48781489 |
| 10557 | | Rotation angle (degrees) 169.68951791 |
| 10558 | | Shift along axis 9.06361897 |
| 10559 | | |
| 10560 | | |
| 10561 | | > ui tool show Matchmaker |
| 10562 | | |
| 10563 | | > hide #!5 models |
| 10564 | | |
| 10565 | | > show #16 models |
| 10566 | | |
| 10567 | | > show #!4 models |
| 10568 | | |
| 10569 | | > hide #16 models |
| 10570 | | |
| 10571 | | > view matrix models |
| 10572 | | > #16,-0.095734,-0.93158,-0.35071,258.24,0.86458,0.096785,-0.49309,197.97,0.4933,-0.35042,0.79616,239.92,#5,-0.52522,-0.7063,-0.47464,424.1,-0.48619,-0.2087,0.84857,159.73,-0.6984,0.67645,-0.23378,183.99 |
| 10573 | | |
| 10574 | | [Repeated 1 time(s)] |
| 10575 | | |
| 10576 | | > select add #4 |
| 10577 | | |
| 10578 | | 64153 atoms, 65436 bonds, 24 pseudobonds, 8014 residues, 5 models selected |
| 10579 | | |
| 10580 | | > select subtract #5 |
| 10581 | | |
| 10582 | | 53745 atoms, 54768 bonds, 6744 residues, 5 models selected |
| 10583 | | |
| 10584 | | > select subtract #16 |
| 10585 | | |
| 10586 | | 17915 atoms, 18256 bonds, 2248 residues, 4 models selected |
| 10587 | | |
| 10588 | | > view matrix models |
| 10589 | | > #4,0.12001,0.77876,0.61573,157.32,-0.2814,0.62146,-0.73116,160.92,-0.95206,-0.085517,0.29372,112.9 |
| 10590 | | |
| 10591 | | > view matrix models |
| 10592 | | > #4,0.76586,-0.38531,0.51478,200.44,0.51252,0.84925,-0.12684,171.4,-0.38831,0.36098,0.84789,113.04 |
| 10593 | | |
| 10594 | | > view matrix models |
| 10595 | | > #4,0.12295,0.16061,0.97933,180.58,0.87446,0.44909,-0.18343,187.81,-0.46927,0.87893,-0.08523,85.222 |
| 10596 | | |
| 10597 | | > view matrix models |
| 10598 | | > #4,-0.43952,-0.22993,0.8683,183.88,0.41758,0.80356,0.42416,177.95,-0.79526,0.54902,-0.25717,89.068 |
| 10599 | | |
| 10600 | | > view matrix models |
| 10601 | | > #4,0.051839,-0.32189,0.94536,194.08,0.19194,0.93219,0.30689,169.66,-0.98004,0.16554,0.11011,102.68 |
| 10602 | | |
| 10603 | | > view matrix models |
| 10604 | | > #4,-0.026092,-0.17933,0.98344,189.11,0.068017,0.98118,0.18073,165.06,-0.99734,0.071606,-0.013403,103.91 |
| 10605 | | |
| 10606 | | > view matrix models |
| 10607 | | > #4,0.20985,-0.34753,0.91389,196.58,0.57629,0.79904,0.17153,177.25,-0.78984,0.49067,0.36796,98.189 |
| 10608 | | |
| 10609 | | > view matrix models |
| 10610 | | > #4,-0.227,-0.084103,0.97026,183.38,0.77067,0.59359,0.23176,186.82,-0.59543,0.80036,-0.069928,86.151 |
| 10611 | | |
| 10612 | | > ui mousemode right "translate selected models" |
| 10613 | | |
| 10614 | | > view matrix models |
| 10615 | | > #4,-0.227,-0.084103,0.97026,190.01,0.77067,0.59359,0.23176,179.8,-0.59543,0.80036,-0.069928,102.93 |
| 10616 | | |
| 10617 | | > color bfactor sel |
| 10618 | | |
| 10619 | | 17915 atoms, 2248 residues, 3 surfaces, atom bfactor range 19 to 94.1 |
| 10620 | | |
| 10621 | | > ui mousemode right "rotate selected models" |
| 10622 | | |
| 10623 | | > view matrix models |
| 10624 | | > #4,-0.24769,-0.059219,0.96703,188.94,0.60416,0.77085,0.20195,171.81,-0.75739,0.63426,-0.15515,104.91 |
| 10625 | | |
| 10626 | | > view matrix models |
| 10627 | | > #4,-0.05944,-0.77535,0.62873,209.5,0.90828,0.21928,0.35628,194.56,-0.41411,0.59224,0.6912,120.55 |
| 10628 | | |
| 10629 | | > view matrix models |
| 10630 | | > #4,0.13056,-0.76461,0.63113,211.71,0.90117,0.35692,0.24598,188.96,-0.41334,0.53664,0.73565,122.78 |
| 10631 | | |
| 10632 | | > ui mousemode right "translate selected models" |
| 10633 | | |
| 10634 | | > view matrix models |
| 10635 | | > #4,0.13056,-0.76461,0.63113,208.73,0.90117,0.35692,0.24598,197.7,-0.41334,0.53664,0.73565,119.29 |
| 10636 | | |
| 10637 | | > view matrix models |
| 10638 | | > #4,0.13056,-0.76461,0.63113,213.47,0.90117,0.35692,0.24598,202.67,-0.41334,0.53664,0.73565,126.05 |
| 10639 | | |
| 10640 | | > ui mousemode right "rotate selected models" |
| 10641 | | |
| 10642 | | > view matrix models |
| 10643 | | > #4,-0.1573,-0.59734,0.78641,206.34,0.89413,0.25194,0.37021,207.24,-0.41927,0.76139,0.49447,116.27 |
| 10644 | | |
| 10645 | | > fitmap #4 inMap #1 |
| 10646 | | |
| 10647 | | Fit molecule copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) to map |
| 10648 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 17915 atoms |
| 10649 | | average map value = 0.06099, steps = 116 |
| 10650 | | shifted from previous position = 8.74 |
| 10651 | | rotated from previous position = 13.4 degrees |
| 10652 | | atoms outside contour = 15474, contour level = 0.18205 |
| 10653 | | |
| 10654 | | Position of copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) relative to |
| 10655 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10656 | | Matrix rotation and translation |
| 10657 | | -0.19703977 -0.54596940 0.81430506 201.04356649 |
| 10658 | | 0.78030079 0.41552336 0.46740879 192.89864757 |
| 10659 | | -0.59355370 0.72750100 0.34414574 113.06645958 |
| 10660 | | Axis 0.13327189 0.72139032 0.67958414 |
| 10661 | | Axis point 53.88533173 0.00000000 -127.94224637 |
| 10662 | | Rotation angle (degrees) 102.63182812 |
| 10663 | | Shift along axis 242.78684689 |
| 10664 | | |
| 10665 | | |
| 10666 | | > hide #!4 models |
| 10667 | | |
| 10668 | | > show #!4 models |
| 10669 | | |
| 10670 | | > view matrix models |
| 10671 | | > #4,-0.19926,0.97952,0.028807,145.01,-0.94836,-0.20016,0.24608,186.46,0.24681,0.021715,0.96882,153.09 |
| 10672 | | |
| 10673 | | > ui mousemode right "translate selected models" |
| 10674 | | |
| 10675 | | > view matrix models |
| 10676 | | > #4,-0.19926,0.97952,0.028807,156.36,-0.94836,-0.20016,0.24608,173.98,0.24681,0.021715,0.96882,151.67 |
| 10677 | | |
| 10678 | | > hide #!4 models |
| 10679 | | |
| 10680 | | > volume #1 level 0.1094 |
| 10681 | | |
| 10682 | | > show #!4 models |
| 10683 | | |
| 10684 | | > ui mousemode right "rotate selected models" |
| 10685 | | |
| 10686 | | > view matrix models |
| 10687 | | > #4,0.022809,0.80442,0.59362,171.23,-0.99753,-0.021166,0.067012,165.75,0.066471,-0.59368,0.80195,166.27 |
| 10688 | | |
| 10689 | | > ui mousemode right "translate selected models" |
| 10690 | | |
| 10691 | | > view matrix models |
| 10692 | | > #4,0.022809,0.80442,0.59362,98.79,-0.99753,-0.021166,0.067012,275.2,0.066471,-0.59368,0.80195,172.18 |
| 10693 | | |
| 10694 | | > ui mousemode right "rotate selected models" |
| 10695 | | |
| 10696 | | > view matrix models |
| 10697 | | > #4,-0.73891,0.39731,0.5442,100.69,-0.64653,-0.64554,-0.40655,293.52,0.18977,-0.65224,0.73387,174.82 |
| 10698 | | |
| 10699 | | > view matrix models |
| 10700 | | > #4,0.98592,0.12003,0.1164,126.98,-0.16612,0.7821,0.6006,267.67,-0.018951,-0.61149,0.79103,171.48 |
| 10701 | | |
| 10702 | | > ui mousemode right "translate selected models" |
| 10703 | | |
| 10704 | | > view matrix models |
| 10705 | | > #4,0.98592,0.12003,0.1164,222.02,-0.16612,0.7821,0.6006,166.57,-0.018951,-0.61149,0.79103,159.37 |
| 10706 | | |
| 10707 | | > hide #!4 models |
| 10708 | | |
| 10709 | | > show #!4 models |
| 10710 | | |
| 10711 | | > ui mousemode right "rotate selected models" |
| 10712 | | |
| 10713 | | > view matrix models |
| 10714 | | > #4,0.98592,0.12031,0.11614,222,-0.16618,0.78223,0.60042,166.56,-0.018612,-0.61127,0.7912,159.37 |
| 10715 | | |
| 10716 | | > fitmap #4 inMap #1 |
| 10717 | | |
| 10718 | | Fit molecule copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) to map |
| 10719 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 17915 atoms |
| 10720 | | average map value = 0.05453, steps = 152 |
| 10721 | | shifted from previous position = 9.82 |
| 10722 | | rotated from previous position = 11.5 degrees |
| 10723 | | atoms outside contour = 13536, contour level = 0.1094 |
| 10724 | | |
| 10725 | | Position of copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) relative to |
| 10726 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10727 | | Matrix rotation and translation |
| 10728 | | 0.97217171 -0.01254972 0.23393303 223.36029917 |
| 10729 | | -0.15245228 0.72430588 0.67241302 165.83582297 |
| 10730 | | -0.17787766 -0.68936453 0.70223648 165.20229996 |
| 10731 | | Axis -0.95259510 0.28807116 -0.09786510 |
| 10732 | | Axis point 0.00000000 300.72095953 -200.94465099 |
| 10733 | | Rotation angle (degrees) 45.62455794 |
| 10734 | | Shift along axis -181.16694792 |
| 10735 | | |
| 10736 | | |
| 10737 | | > view matrix models |
| 10738 | | > #4,0.86307,-0.36978,0.34406,234.18,-0.030955,0.64118,0.76677,171.09,-0.50414,-0.67242,0.54194,158.52 |
| 10739 | | |
| 10740 | | > view matrix models |
| 10741 | | > #4,0.89101,-0.3832,0.24346,233.79,0.065971,0.63985,0.76567,172.39,-0.44917,-0.66615,0.59539,159.67 |
| 10742 | | |
| 10743 | | > ui mousemode right "translate selected models" |
| 10744 | | |
| 10745 | | > view matrix models |
| 10746 | | > #4,0.89101,-0.3832,0.24346,230.38,0.065971,0.63985,0.76567,180.48,-0.44917,-0.66615,0.59539,154.39 |
| 10747 | | |
| 10748 | | > volume #1 level 0.1366 |
| 10749 | | |
| 10750 | | > fitmap #4 inMap #1 |
| 10751 | | |
| 10752 | | Fit molecule copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) to map |
| 10753 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 17915 atoms |
| 10754 | | average map value = 0.05184, steps = 176 |
| 10755 | | shifted from previous position = 2.77 |
| 10756 | | rotated from previous position = 7.83 degrees |
| 10757 | | atoms outside contour = 14456, contour level = 0.13664 |
| 10758 | | |
| 10759 | | Position of copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) relative to |
| 10760 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10761 | | Matrix rotation and translation |
| 10762 | | 0.93448535 -0.30507923 0.18347696 227.72992244 |
| 10763 | | 0.08887493 0.69898574 0.70959154 180.48371967 |
| 10764 | | -0.34472942 -0.64679639 0.68030585 159.10532733 |
| 10765 | | Axis -0.89947611 0.35027518 0.26124705 |
| 10766 | | Axis point 0.00000000 360.86693294 -150.65521239 |
| 10767 | | Rotation angle (degrees) 48.93700041 |
| 10768 | | Shift along axis -100.05285970 |
| 10769 | | |
| 10770 | | |
| 10771 | | > hide #!1 models |
| 10772 | | |
| 10773 | | > show #!1 models |
| 10774 | | |
| 10775 | | > hide #!4 models |
| 10776 | | |
| 10777 | | > show #!4 models |
| 10778 | | |
| 10779 | | > hide #!1 models |
| 10780 | | |
| 10781 | | > hide sel atoms |
| 10782 | | |
| 10783 | | > show sel atoms |
| 10784 | | |
| 10785 | | > show #!1 models |
| 10786 | | |
| 10787 | | > view matrix models |
| 10788 | | > #4,0.93449,-0.30508,0.18348,226.03,0.088875,0.69899,0.70959,172.04,-0.34473,-0.6468,0.68031,147.35 |
| 10789 | | |
| 10790 | | > ui mousemode right "rotate selected models" |
| 10791 | | |
| 10792 | | > view matrix models |
| 10793 | | > #4,0.41524,-0.15837,0.89582,222.68,-0.12436,0.9656,0.22835,155.48,-0.90117,-0.20622,0.38126,122.91 |
| 10794 | | |
| 10795 | | > view matrix models |
| 10796 | | > #4,0.65316,0.056418,0.75511,217.98,-0.1375,0.98948,0.045006,152.44,-0.74463,-0.13322,0.65405,126.12 |
| 10797 | | |
| 10798 | | > fitmap #4 inMap #1 |
| 10799 | | |
| 10800 | | Fit molecule copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) to map |
| 10801 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 17915 atoms |
| 10802 | | average map value = 0.05826, steps = 276 |
| 10803 | | shifted from previous position = 9.35 |
| 10804 | | rotated from previous position = 19.3 degrees |
| 10805 | | atoms outside contour = 14372, contour level = 0.13664 |
| 10806 | | |
| 10807 | | Position of copy of fold_lee_rdrp_trimer_dimer_model_0.cif (#4) relative to |
| 10808 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10809 | | Matrix rotation and translation |
| 10810 | | 0.40150631 0.01758552 0.91568741 207.61560984 |
| 10811 | | -0.00312739 0.99983612 -0.01783030 153.30769219 |
| 10812 | | -0.91585092 0.00429528 0.40149552 119.72764544 |
| 10813 | | Axis 0.01207867 0.99986311 -0.01130748 |
| 10814 | | Axis point 195.82877209 0.00000000 -96.70099800 |
| 10815 | | Rotation angle (degrees) 66.33308465 |
| 10816 | | Shift along axis 154.44060928 |
| 10817 | | |
| 10818 | | |
| 10819 | | > show #16 models |
| 10820 | | |
| 10821 | | > select subtract #4 |
| 10822 | | |
| 10823 | | 3 models selected |
| 10824 | | |
| 10825 | | > select add #16 |
| 10826 | | |
| 10827 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 10828 | | |
| 10829 | | > ui mousemode right "move picked models" |
| 10830 | | |
| 10831 | | > ui mousemode right "translate selected models" |
| 10832 | | |
| 10833 | | > view matrix models |
| 10834 | | > #16,-0.095734,-0.93158,-0.35071,202.16,0.86458,0.096785,-0.49309,212.39,0.4933,-0.35042,0.79616,261.14 |
| 10835 | | |
| 10836 | | > ui mousemode right "rotate selected models" |
| 10837 | | |
| 10838 | | > view matrix models |
| 10839 | | > #16,0.34584,-0.35632,-0.868,204.15,0.66259,0.74775,-0.042959,212.34,0.66435,-0.56027,0.4947,261.5 |
| 10840 | | |
| 10841 | | > view matrix models |
| 10842 | | > #16,0.39645,-0.51568,-0.75954,203.53,0.66701,0.73027,-0.14766,212.61,0.63082,-0.44808,0.63347,261.31 |
| 10843 | | |
| 10844 | | > view matrix models |
| 10845 | | > #16,0.45271,-0.4045,-0.79463,203.76,0.37733,0.89436,-0.2403,213.42,0.80788,-0.19105,0.55752,261.78 |
| 10846 | | |
| 10847 | | > ui mousemode right "translate selected models" |
| 10848 | | |
| 10849 | | > view matrix models |
| 10850 | | > #16,0.45271,-0.4045,-0.79463,204.43,0.37733,0.89436,-0.2403,173.74,0.80788,-0.19105,0.55752,268.46 |
| 10851 | | |
| 10852 | | > select clear |
| 10853 | | |
| 10854 | | > ui mousemode right select |
| 10855 | | |
| 10856 | | Drag select of 1835 residues |
| 10857 | | |
| 10858 | | > select up |
| 10859 | | |
| 10860 | | 16068 atoms, 16358 bonds, 2017 residues, 1 model selected |
| 10861 | | |
| 10862 | | > select up |
| 10863 | | |
| 10864 | | 17915 atoms, 18256 bonds, 2248 residues, 1 model selected |
| 10865 | | |
| 10866 | | > select up |
| 10867 | | |
| 10868 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 10869 | | |
| 10870 | | > select down |
| 10871 | | |
| 10872 | | 17915 atoms, 18256 bonds, 2248 residues, 1 model selected |
| 10873 | | |
| 10874 | | > hide sel cartoons |
| 10875 | | |
| 10876 | | > select clear |
| 10877 | | |
| 10878 | | > select add #16 |
| 10879 | | |
| 10880 | | 35830 atoms, 36512 bonds, 4496 residues, 1 model selected |
| 10881 | | |
| 10882 | | > hide #!4 models |
| 10883 | | |
| 10884 | | > ui mousemode right rotate |
| 10885 | | |
| 10886 | | > ui mousemode right "rotate selected models" |
| 10887 | | |
| 10888 | | > view matrix models |
| 10889 | | > #16,-0.54138,0.0051342,0.84076,197.72,-0.13278,-0.98796,-0.079463,226.73,0.83023,-0.15465,0.53554,267.38 |
| 10890 | | |
| 10891 | | > ui mousemode right "translate selected models" |
| 10892 | | |
| 10893 | | > view matrix models |
| 10894 | | > #16,-0.54138,0.0051342,0.84076,199.35,-0.13278,-0.98796,-0.079463,205.16,0.83023,-0.15465,0.53554,260.48 |
| 10895 | | |
| 10896 | | > ui mousemode right "rotate selected models" |
| 10897 | | |
| 10898 | | > view matrix models |
| 10899 | | > #16,-0.4976,0.42472,0.75631,186.05,-0.32904,-0.89918,0.28847,204.12,0.80258,-0.10532,0.58718,259.2 |
| 10900 | | |
| 10901 | | > ui mousemode right "translate selected models" |
| 10902 | | |
| 10903 | | > view matrix models |
| 10904 | | > #16,-0.4976,0.42472,0.75631,175.06,-0.32904,-0.89918,0.28847,199.34,0.80258,-0.10532,0.58718,263.42 |
| 10905 | | |
| 10906 | | > fitmap #16 inMap #1 |
| 10907 | | |
| 10908 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 10909 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 10910 | | average map value = 0.02909, steps = 212 |
| 10911 | | shifted from previous position = 14.7 |
| 10912 | | rotated from previous position = 2.89 degrees |
| 10913 | | atoms outside contour = 32381, contour level = 0.13664 |
| 10914 | | |
| 10915 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 10916 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10917 | | Matrix rotation and translation |
| 10918 | | -0.52233503 0.40277560 0.75162349 165.43127810 |
| 10919 | | -0.28536142 -0.91316451 0.29103154 209.90195815 |
| 10920 | | 0.80357634 -0.06246839 0.59191445 260.24620435 |
| 10921 | | Axis -0.45591309 -0.06700420 -0.88749856 |
| 10922 | | Axis point 37.28592338 92.92989442 0.00000000 |
| 10923 | | Rotation angle (degrees) 157.18956560 |
| 10924 | | Shift along axis -320.45473009 |
| 10925 | | |
| 10926 | | |
| 10927 | | > view matrix models |
| 10928 | | > #16,-0.52234,0.40278,0.75162,165.4,-0.28536,-0.91316,0.29103,210.7,0.80358,-0.062468,0.59191,261.7 |
| 10929 | | |
| 10930 | | > ui mousemode right "rotate selected models" |
| 10931 | | |
| 10932 | | > view matrix models |
| 10933 | | > #16,-0.47306,0.41046,0.77957,166.14,-0.32277,-0.90407,0.28015,209.8,0.81978,-0.11909,0.56016,263.29 |
| 10934 | | |
| 10935 | | > view matrix models |
| 10936 | | > #16,-0.64642,0.35817,0.67368,164.23,-0.26174,-0.93348,0.24516,211.1,0.71668,-0.017851,0.69717,260.41 |
| 10937 | | |
| 10938 | | > view matrix models |
| 10939 | | > #16,-0.52667,0.28914,0.79939,169.39,0.094315,-0.9147,0.39298,216.93,0.84482,0.28237,0.45447,250.05 |
| 10940 | | |
| 10941 | | > ui mousemode right "translate selected models" |
| 10942 | | |
| 10943 | | > view matrix models |
| 10944 | | > #16,-0.52667,0.28914,0.79939,168.62,0.094315,-0.9147,0.39298,223.02,0.84482,0.28237,0.45447,267.49 |
| 10945 | | |
| 10946 | | > ui mousemode right "rotate selected models" |
| 10947 | | |
| 10948 | | > view matrix models |
| 10949 | | > #16,0.53768,-0.65639,-0.5292,196.29,0.25863,0.72578,-0.63746,162.8,0.8025,0.20588,0.56,270.51 |
| 10950 | | |
| 10951 | | > view matrix models |
| 10952 | | > #16,0.49896,-0.59259,-0.63236,192.62,0.47673,0.79704,-0.37074,166.59,0.72371,-0.11648,0.6802,280.77 |
| 10953 | | |
| 10954 | | > ui mousemode right "translate selected models" |
| 10955 | | |
| 10956 | | > view matrix models |
| 10957 | | > #16,0.49896,-0.59259,-0.63236,204.96,0.47673,0.79704,-0.37074,136.45,0.72371,-0.11648,0.6802,264.56 |
| 10958 | | |
| 10959 | | > fitmap #16 inMap #1 |
| 10960 | | |
| 10961 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 10962 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 10963 | | average map value = 0.02129, steps = 184 |
| 10964 | | shifted from previous position = 22.2 |
| 10965 | | rotated from previous position = 18.6 degrees |
| 10966 | | atoms outside contour = 33069, contour level = 0.13664 |
| 10967 | | |
| 10968 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 10969 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 10970 | | Matrix rotation and translation |
| 10971 | | 0.62149755 -0.30828276 -0.72021004 195.59553321 |
| 10972 | | 0.32020110 0.93898469 -0.12561420 156.84094955 |
| 10973 | | 0.71499092 -0.15254315 0.68228918 264.00282331 |
| 10974 | | Axis -0.01718493 -0.91588527 0.40107213 |
| 10975 | | Axis point -220.55886546 0.00000000 386.51343740 |
| 10976 | | Rotation angle (degrees) 51.58260133 |
| 10977 | | Shift along axis -41.12543605 |
| 10978 | | |
| 10979 | | |
| 10980 | | > view matrix models |
| 10981 | | > #16,0.6215,-0.30828,-0.72021,192.21,0.3202,0.93898,-0.12561,167.12,0.71499,-0.15254,0.68229,273.52 |
| 10982 | | |
| 10983 | | > ui mousemode right "rotate selected models" |
| 10984 | | |
| 10985 | | > view matrix models |
| 10986 | | > #16,-0.056266,-0.89171,0.44909,214.77,0.99064,0.0061552,0.13634,207.67,-0.12434,0.45256,0.88302,246.18 |
| 10987 | | |
| 10988 | | > view matrix models |
| 10989 | | > #16,0.0021121,-0.7606,0.64922,213.84,0.77471,-0.40927,-0.482,210.41,0.63232,0.50397,0.58837,251.16 |
| 10990 | | |
| 10991 | | > view matrix models |
| 10992 | | > #16,0.59757,-0.012686,0.80171,200.47,0.75676,0.33937,-0.5587,186.28,-0.26499,0.94057,0.2124,221.55 |
| 10993 | | |
| 10994 | | > view matrix models |
| 10995 | | > #16,0.57421,0.1476,0.80529,195.28,0.81698,-0.16727,-0.55188,202.72,0.053247,0.9748,-0.21664,219.71 |
| 10996 | | |
| 10997 | | > ui mousemode right "translate selected models" |
| 10998 | | |
| 10999 | | > view matrix models |
| 11000 | | > #16,0.57421,0.1476,0.80529,197.81,0.81698,-0.16727,-0.55188,195.44,0.053247,0.9748,-0.21664,203.05 |
| 11001 | | |
| 11002 | | > view matrix models |
| 11003 | | > #16,0.57421,0.1476,0.80529,225.26,0.81698,-0.16727,-0.55188,217.29,0.053247,0.9748,-0.21664,202.64 |
| 11004 | | |
| 11005 | | > view matrix models |
| 11006 | | > #16,0.57421,0.1476,0.80529,233.63,0.81698,-0.16727,-0.55188,207.03,0.053247,0.9748,-0.21664,195.36 |
| 11007 | | |
| 11008 | | > ui mousemode right "rotate selected models" |
| 11009 | | |
| 11010 | | > view matrix models |
| 11011 | | > #16,0.61045,0.062325,0.7896,236.55,0.79197,-0.033119,-0.60967,201.91,-0.011846,0.99751,-0.069577,195.52 |
| 11012 | | |
| 11013 | | > fitmap #16 inMap #1 |
| 11014 | | |
| 11015 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 11016 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 11017 | | average map value = 0.02255, steps = 232 |
| 11018 | | shifted from previous position = 19.9 |
| 11019 | | rotated from previous position = 16.3 degrees |
| 11020 | | atoms outside contour = 32606, contour level = 0.13664 |
| 11021 | | |
| 11022 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 11023 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 11024 | | Matrix rotation and translation |
| 11025 | | 0.55302812 -0.17299936 0.81500371 220.95865519 |
| 11026 | | 0.79629036 -0.17803680 -0.57812155 214.10831876 |
| 11027 | | 0.24511531 0.96869708 0.03929836 196.14545114 |
| 11028 | | Axis 0.80887290 0.29800991 0.50686756 |
| 11029 | | Axis point 0.00000000 55.91816647 80.13727705 |
| 11030 | | Rotation angle (degrees) 107.02896823 |
| 11031 | | Shift along axis 341.95363571 |
| 11032 | | |
| 11033 | | |
| 11034 | | > ui mousemode right "translate selected models" |
| 11035 | | |
| 11036 | | > view matrix models |
| 11037 | | > #16,0.55303,-0.173,0.815,213.74,0.79629,-0.17804,-0.57812,279.78,0.24512,0.9687,0.039298,231.16 |
| 11038 | | |
| 11039 | | > ui mousemode right "rotate selected models" |
| 11040 | | |
| 11041 | | > view matrix models |
| 11042 | | > #16,0.81665,0.10362,0.56776,205.85,0.57709,-0.15843,-0.80116,273.7,0.0069366,0.98192,-0.18918,224.96 |
| 11043 | | |
| 11044 | | > view matrix models |
| 11045 | | > #16,0.78482,0.050307,0.61768,207.64,0.61718,-0.15362,-0.77168,274.42,0.056065,0.98685,-0.15161,225.89 |
| 11046 | | |
| 11047 | | > view matrix models |
| 11048 | | > #16,0.254,0.10957,0.96098,202.81,0.95993,-0.15023,-0.23659,285.05,0.11844,0.98256,-0.14333,226.94 |
| 11049 | | |
| 11050 | | > view matrix models |
| 11051 | | > #16,0.27245,0.34696,0.89744,195.02,-0.40599,-0.80417,0.43415,294.93,0.87232,-0.48264,-0.078238,282.67 |
| 11052 | | |
| 11053 | | > view matrix models |
| 11054 | | > #16,0.20124,0.22981,0.9522,198.32,0.52486,-0.84606,0.093268,304.53,0.82706,0.481,-0.29088,249.99 |
| 11055 | | |
| 11056 | | > view matrix models |
| 11057 | | > #16,-0.55852,0.82834,-0.043759,158.35,-0.010181,0.045903,0.99889,280.57,0.82943,0.55834,-0.017204,250.82 |
| 11058 | | |
| 11059 | | > ui mousemode right "translate selected models" |
| 11060 | | |
| 11061 | | > view matrix models |
| 11062 | | > #16,-0.55852,0.82834,-0.043759,167.21,-0.010181,0.045903,0.99889,180.79,0.82943,0.55834,-0.017204,245.87 |
| 11063 | | |
| 11064 | | > view matrix models |
| 11065 | | > #16,-0.55852,0.82834,-0.043759,157.31,-0.010181,0.045903,0.99889,186.56,0.82943,0.55834,-0.017204,243.16 |
| 11066 | | |
| 11067 | | > view matrix models |
| 11068 | | > #16,-0.55852,0.82834,-0.043759,156.65,-0.010181,0.045903,0.99889,179.03,0.82943,0.55834,-0.017204,237.99 |
| 11069 | | |
| 11070 | | > ui mousemode right "rotate selected models" |
| 11071 | | |
| 11072 | | > view matrix models |
| 11073 | | > #16,-0.69199,0.65543,-0.30258,157.2,-0.15768,0.2718,0.94935,169.57,0.70447,0.70465,-0.084738,231.07 |
| 11074 | | |
| 11075 | | > ui mousemode right "translate selected models" |
| 11076 | | |
| 11077 | | > view matrix models |
| 11078 | | > #16,-0.69199,0.65543,-0.30258,147.35,-0.15768,0.2718,0.94935,174.84,0.70447,0.70465,-0.084738,233.78 |
| 11079 | | |
| 11080 | | > fitmap #16 inMap #1 |
| 11081 | | |
| 11082 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 11083 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 11084 | | average map value = 0.03092, steps = 2000 |
| 11085 | | shifted from previous position = 17.9 |
| 11086 | | rotated from previous position = 10.3 degrees |
| 11087 | | atoms outside contour = 32151, contour level = 0.13664 |
| 11088 | | |
| 11089 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 11090 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 11091 | | Matrix rotation and translation |
| 11092 | | -0.71148024 0.62528943 -0.32063835 139.67150460 |
| 11093 | | -0.28929107 0.15519625 0.94457650 183.77785824 |
| 11094 | | 0.64039559 0.76480532 0.07047158 220.24411436 |
| 11095 | | Axis -0.13427874 -0.71783715 -0.68313911 |
| 11096 | | Axis point 48.76072910 0.00000000 49.22202875 |
| 11097 | | Rotation angle (degrees) 137.97957241 |
| 11098 | | Shift along axis -301.13485642 |
| 11099 | | |
| 11100 | | |
| 11101 | | > fitmap #16 inMap #1 |
| 11102 | | |
| 11103 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 11104 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 11105 | | average map value = 0.03095, steps = 2000 |
| 11106 | | shifted from previous position = 0.387 |
| 11107 | | rotated from previous position = 0.512 degrees |
| 11108 | | atoms outside contour = 32133, contour level = 0.13664 |
| 11109 | | |
| 11110 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 11111 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 11112 | | Matrix rotation and translation |
| 11113 | | -0.70814881 0.62512107 -0.32825124 139.70967030 |
| 11114 | | -0.29721084 0.15779215 0.94168324 183.41548583 |
| 11115 | | 0.64046152 0.76441168 0.07405242 220.14895902 |
| 11116 | | Axis -0.13138344 -0.71795398 -0.68357917 |
| 11117 | | Axis point 49.09536930 0.00000000 49.84896274 |
| 11118 | | Rotation angle (degrees) 137.57424163 |
| 11119 | | Shift along axis -300.52865711 |
| 11120 | | |
| 11121 | | |
| 11122 | | > ui mousemode right "rotate selected models" |
| 11123 | | |
| 11124 | | > ui mousemode right "translate selected models" |
| 11125 | | |
| 11126 | | > view matrix models |
| 11127 | | > #16,-0.70815,0.62512,-0.32825,136.04,-0.29721,0.15779,0.94168,183.17,0.64046,0.76441,0.074052,252.44 |
| 11128 | | |
| 11129 | | > ui mousemode right "rotate selected models" |
| 11130 | | |
| 11131 | | > view matrix models |
| 11132 | | > #16,-0.6233,0.55555,0.55033,149.5,0.093262,-0.64593,0.75768,210.89,0.7764,0.52359,0.3508,264.84 |
| 11133 | | |
| 11134 | | > view matrix models |
| 11135 | | > #16,-0.1756,0.69795,0.69428,152.69,-0.93224,-0.34454,0.11058,180.59,0.31639,-0.62782,0.71116,298.35 |
| 11136 | | |
| 11137 | | > ui mousemode right "translate selected models" |
| 11138 | | |
| 11139 | | > view matrix models |
| 11140 | | > #16,-0.1756,0.69795,0.69428,166.41,-0.93224,-0.34454,0.11058,156.52,0.31639,-0.62782,0.71116,272.48 |
| 11141 | | |
| 11142 | | > view matrix models |
| 11143 | | > #16,-0.1756,0.69795,0.69428,146.74,-0.93224,-0.34454,0.11058,156.47,0.31639,-0.62782,0.71116,277.99 |
| 11144 | | |
| 11145 | | > view matrix models |
| 11146 | | > #16,-0.1756,0.69795,0.69428,147.96,-0.93224,-0.34454,0.11058,145.21,0.31639,-0.62782,0.71116,274.19 |
| 11147 | | |
| 11148 | | > ui mousemode right "rotate selected models" |
| 11149 | | |
| 11150 | | > view matrix models |
| 11151 | | > #16,-0.64863,0.58056,0.49217,142.99,-0.75307,-0.58326,-0.30445,150.09,0.11032,-0.56812,0.81552,270.85 |
| 11152 | | |
| 11153 | | > ui mousemode right "translate selected models" |
| 11154 | | |
| 11155 | | > view matrix models |
| 11156 | | > #16,-0.64863,0.58056,0.49217,136.59,-0.75307,-0.58326,-0.30445,166.85,0.11032,-0.56812,0.81552,258.42 |
| 11157 | | |
| 11158 | | > view matrix models |
| 11159 | | > #16,-0.64863,0.58056,0.49217,149.85,-0.75307,-0.58326,-0.30445,179.93,0.11032,-0.56812,0.81552,239.12 |
| 11160 | | |
| 11161 | | > ui mousemode right "rotate selected models" |
| 11162 | | |
| 11163 | | > view matrix models |
| 11164 | | > #16,-0.69534,0.48106,0.53394,152.78,-0.71,-0.57496,-0.4066,179.06,0.11139,-0.66182,0.74134,241.16 |
| 11165 | | |
| 11166 | | > view matrix models |
| 11167 | | > #16,-0.72428,0.42227,0.54508,154.33,-0.67968,-0.57021,-0.4614,178.68,0.11597,-0.70466,0.7,242.05 |
| 11168 | | |
| 11169 | | > view matrix models |
| 11170 | | > #16,-0.65542,0.17459,0.73481,165.06,-0.47636,-0.85055,-0.22281,192.74,0.58609,-0.49607,0.64064,241.15 |
| 11171 | | |
| 11172 | | > ui mousemode right "translate selected models" |
| 11173 | | |
| 11174 | | > view matrix models |
| 11175 | | > #16,-0.65542,0.17459,0.73481,165.43,-0.47636,-0.85055,-0.22281,179.69,0.58609,-0.49607,0.64064,283.32 |
| 11176 | | |
| 11177 | | > view matrix models |
| 11178 | | > #16,-0.65542,0.17459,0.73481,146.37,-0.47636,-0.85055,-0.22281,192.24,0.58609,-0.49607,0.64064,281.06 |
| 11179 | | |
| 11180 | | > ui mousemode right "rotate selected models" |
| 11181 | | |
| 11182 | | > view matrix models |
| 11183 | | > #16,-0.8779,0.19599,0.4369,139.32,-0.27393,-0.95392,-0.12249,199.25,0.39276,-0.22721,0.89113,273.16 |
| 11184 | | |
| 11185 | | > view matrix models |
| 11186 | | > #16,-0.5996,-0.80007,0.01884,168.75,0.13726,-0.126,-0.98249,169.24,0.78844,-0.58652,0.18537,281.22 |
| 11187 | | |
| 11188 | | > view matrix models |
| 11189 | | > #16,-0.73006,-0.64273,-0.23218,159.28,0.36691,-0.082027,-0.92663,171.56,0.57653,-0.76169,0.29571,285.09 |
| 11190 | | |
| 11191 | | > ui mousemode right "translate selected models" |
| 11192 | | |
| 11193 | | > view matrix models |
| 11194 | | > #16,-0.73006,-0.64273,-0.23218,164.89,0.36691,-0.082027,-0.92663,173.23,0.57653,-0.76169,0.29571,278.73 |
| 11195 | | |
| 11196 | | > ui mousemode right "rotate selected models" |
| 11197 | | |
| 11198 | | > view matrix models |
| 11199 | | > #16,-0.6319,-0.7618,-0.1427,170.88,0.3235,-0.091936,-0.94175,172.78,0.70431,-0.64125,0.30454,276.81 |
| 11200 | | |
| 11201 | | > view matrix models |
| 11202 | | > #16,-0.51597,-0.83593,-0.18706,174.17,0.72684,-0.31167,-0.61202,188.68,0.45331,-0.45175,0.7684,273.06 |
| 11203 | | |
| 11204 | | > ui mousemode right "translate selected models" |
| 11205 | | |
| 11206 | | > view matrix models |
| 11207 | | > #16,-0.51597,-0.83593,-0.18706,181.22,0.72684,-0.31167,-0.61202,214.39,0.45331,-0.45175,0.7684,258.71 |
| 11208 | | |
| 11209 | | > view matrix models |
| 11210 | | > #16,-0.51597,-0.83593,-0.18706,192.41,0.72684,-0.31167,-0.61202,210,0.45331,-0.45175,0.7684,262.72 |
| 11211 | | |
| 11212 | | > view matrix models |
| 11213 | | > #16,-0.51597,-0.83593,-0.18706,200.06,0.72684,-0.31167,-0.61202,206,0.45331,-0.45175,0.7684,268.21 |
| 11214 | | |
| 11215 | | > ui mousemode right "rotate selected models" |
| 11216 | | |
| 11217 | | > view matrix models |
| 11218 | | > #16,-0.3668,-0.93028,0.0063014,207.17,0.64943,-0.2609,-0.71426,202.24,0.6661,-0.2579,0.69985,264.26 |
| 11219 | | |
| 11220 | | > fitmap #16 inMap #1 |
| 11221 | | |
| 11222 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 11223 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 11224 | | average map value = 0.02716, steps = 112 |
| 11225 | | shifted from previous position = 5.62 |
| 11226 | | rotated from previous position = 6.71 degrees |
| 11227 | | atoms outside contour = 32389, contour level = 0.13664 |
| 11228 | | |
| 11229 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 11230 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 11231 | | Matrix rotation and translation |
| 11232 | | -0.46294298 -0.88524776 0.04494576 202.10023072 |
| 11233 | | 0.58718413 -0.34426500 -0.73259564 204.27061025 |
| 11234 | | 0.66400193 -0.31275858 0.67917852 263.18768658 |
| 11235 | | Axis 0.25421107 -0.37483811 0.89155657 |
| 11236 | | Axis point -20.20289521 201.53711085 0.00000000 |
| 11237 | | Rotation angle (degrees) 124.33390122 |
| 11238 | | Shift along axis 209.45441787 |
| 11239 | | |
| 11240 | | |
| 11241 | | > volume #1 level 0.3288 |
| 11242 | | |
| 11243 | | > view matrix models |
| 11244 | | > #16,-0.36388,-0.19403,0.91101,192.21,0.56616,-0.82272,0.050911,227.79,0.73963,0.5343,0.40923,235.02 |
| 11245 | | |
| 11246 | | > view matrix models |
| 11247 | | > #16,0.096215,-0.09288,0.99102,196.1,0.050987,-0.99387,-0.098097,224.53,0.99405,0.059968,-0.09089,247.15 |
| 11248 | | |
| 11249 | | > ui mousemode right "translate selected models" |
| 11250 | | |
| 11251 | | > view matrix models |
| 11252 | | > #16,0.096215,-0.09288,0.99102,206.89,0.050987,-0.99387,-0.098097,212.98,0.99405,0.059968,-0.09089,257.96 |
| 11253 | | |
| 11254 | | > ui mousemode right "rotate selected models" |
| 11255 | | |
| 11256 | | > view matrix models |
| 11257 | | > #16,-0.32217,-0.059422,0.94481,199.81,-0.10114,-0.99016,-0.096762,210.88,0.94126,-0.12673,0.31299,267.69 |
| 11258 | | |
| 11259 | | > fitmap #16 inMap #1 |
| 11260 | | |
| 11261 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 11262 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 11263 | | average map value = 0.03495, steps = 208 |
| 11264 | | shifted from previous position = 8.8 |
| 11265 | | rotated from previous position = 19.7 degrees |
| 11266 | | atoms outside contour = 34764, contour level = 0.32879 |
| 11267 | | |
| 11268 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 11269 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 11270 | | Matrix rotation and translation |
| 11271 | | -0.36314223 -0.36164125 0.85868695 193.06663054 |
| 11272 | | 0.12976179 -0.93224971 -0.33774588 213.20942943 |
| 11273 | | 0.92265354 -0.01122504 0.38546646 262.91050364 |
| 11274 | | Axis 0.55020655 -0.10778742 0.82804265 |
| 11275 | | Axis point -13.32797262 126.23533585 0.00000000 |
| 11276 | | Rotation angle (degrees) 162.73895372 |
| 11277 | | Shift along axis 300.94634066 |
| 11278 | | |
| 11279 | | |
| 11280 | | > ui mousemode right "translate selected models" |
| 11281 | | |
| 11282 | | > view matrix models |
| 11283 | | > #16,-0.36314,-0.36164,0.85869,187.29,0.12976,-0.93225,-0.33775,212.38,0.92265,-0.011225,0.38547,258.33 |
| 11284 | | |
| 11285 | | > ui mousemode right "rotate selected models" |
| 11286 | | |
| 11287 | | > view matrix models |
| 11288 | | > #16,-0.31042,-0.41938,0.85309,189.69,0.12198,-0.90758,-0.40178,210.77,0.94274,-0.020664,0.33289,258.27 |
| 11289 | | |
| 11290 | | > view matrix models |
| 11291 | | > #16,-0.55722,-0.4977,0.66468,186.66,0.046121,-0.81778,-0.57368,205.02,0.82908,-0.28901,0.47864,266.71 |
| 11292 | | |
| 11293 | | > fitmap #16 inMap #1 |
| 11294 | | |
| 11295 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 11296 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 11297 | | average map value = 0.06504, steps = 2000 |
| 11298 | | shifted from previous position = 6.14 |
| 11299 | | rotated from previous position = 7.78 degrees |
| 11300 | | atoms outside contour = 32995, contour level = 0.32879 |
| 11301 | | |
| 11302 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 11303 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 11304 | | Matrix rotation and translation |
| 11305 | | -0.44811604 -0.50799300 0.73561884 190.05353685 |
| 11306 | | -0.00091451 -0.82260157 -0.56861739 200.41729782 |
| 11307 | | 0.89397491 -0.25547932 0.36815640 268.46426211 |
| 11308 | | Axis 0.50780288 -0.25679940 0.82230791 |
| 11309 | | Axis point -13.68004374 147.41995834 0.00000000 |
| 11310 | | Rotation angle (degrees) 162.04159872 |
| 11311 | | Shift along axis 265.80297966 |
| 11312 | | |
| 11313 | | |
| 11314 | | > fitmap #16 inMap #1 |
| 11315 | | |
| 11316 | | Fit molecule fold_lee_rdrp_trimer_dimer_model_0.cif (#16) to map |
| 11317 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) using 35830 atoms |
| 11318 | | average map value = 0.0648, steps = 2000 |
| 11319 | | shifted from previous position = 0.798 |
| 11320 | | rotated from previous position = 0.775 degrees |
| 11321 | | atoms outside contour = 33032, contour level = 0.32879 |
| 11322 | | |
| 11323 | | Position of fold_lee_rdrp_trimer_dimer_model_0.cif (#16) relative to |
| 11324 | | cryosparc_P605_J52_005_volume_map_sharp.mrc (#1) coordinates: |
| 11325 | | Matrix rotation and translation |
| 11326 | | -0.45856838 -0.50379365 0.73205666 189.70318165 |
| 11327 | | 0.00428134 -0.82501957 -0.56508788 200.79929944 |
| 11328 | | 0.88864879 -0.25599726 0.38048480 267.87409526 |
| 11329 | | Axis 0.50260411 -0.25463034 0.82616736 |
| 11330 | | Axis point -12.22457591 147.04370353 0.00000000 |
| 11331 | | Rotation angle (degrees) 162.09201978 |
| 11332 | | Shift along axis 265.52483862 |
| 11333 | | |
| 11334 | | |
| 11335 | | > save /Users/oswanson/Desktop/RdRp.cxs |
| 11336 | | |
| 11337 | | > close #6 |
| 11338 | | |
| 11339 | | > show #!4 models |
| 11340 | | |
| 11341 | | > hide #16 models |
| 11342 | | |
| 11343 | | > show #16 models |
| | 3043 | [deleted to fit within ticket limits] |