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Opened 4 months ago
Closed 4 months ago
#18065 closed defect (duplicate)
Crash in garbage collection
| Reported by: | Owned by: | pett | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Core | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: Linux-5.14.0-570.21.1.el9_6.x86_64-x86_64-with-glibc2.34
ChimeraX Version: 1.7.1 (2024-01-23 01:58:08 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault
Thread 0x00007f86310dc640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 324 in wait
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 622 in wait
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1392 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f867d7fa640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 579 in _handle_results
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f867dffb640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 531 in _handle_tasks
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f867e7fc640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/selectors.py", line 415 in select
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/connection.py", line 930 in wait
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 502 in _wait_for_updates
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 522 in _handle_workers
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f867effd640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 114 in worker
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f867f7fe640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 114 in worker
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f867ffff640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 114 in worker
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f86a0ff9640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 114 in worker
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f86a17fa640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 114 in worker
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f86a1ffb640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 114 in worker
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f86a27fc640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 114 in worker
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f86a2ffd640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 114 in worker
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f86a37fe640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 114 in worker
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f86a3fff640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 114 in worker
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f86c4ff9640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 114 in worker
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Thread 0x00007f86c57fa640 (most recent call first):
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/multiprocessing/pool.py", line 114 in worker
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 975 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/threading.py", line 995 in _bootstrap
Current thread 0x00007f8759a0bb80 (most recent call first):
Garbage-collecting
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/site-packages/chimerax/atomic/molarray.py", line 161 in
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/site-packages/chimerax/atomic/molarray.py", line 161 in __iter__
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/site-packages/chimerax/coulombic/coulombic.py", line 77 in assign_charges
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/site-packages/chimerax/coulombic/cmd.py", line 99 in cmd_coulombic
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/site-packages/chimerax/core/commands/cli.py", line 2908 in run
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/site-packages/chimerax/cmd_line/tool.py", line 319 in execute
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/site-packages/chimerax/cmd_line/tool.py", line 146 in keyPressEvent
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/site-packages/chimerax/ui/gui.py", line 275 in event_loop
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/site-packages/chimerax/core/__main__.py", line 918 in init
File "/usr/libexec/UCSF-ChimeraX/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1069 in
File "", line 88 in _run_code
File "", line 198 in _run_module_as_main
Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtWebChannel, PyQt6.QtNetwork, PyQt6.QtWebEngineCore, PyQt6.QtPrintSupport, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.pdb_lib._load_libs, chimerax.map._map, charset_normalizer.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.surface._surface, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, PIL._imagingmath, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, numpy.linalg.lapack_lite, lxml._elementpath, lxml.etree, chimerax.atom_search.ast, chimerax.chem_group._chem_group, chimerax.coulombic._esp (total: 62)
===== Log before crash start =====
Startup Messages
---
note | available bundle cache has not been initialized yet
UCSF ChimeraX version: 1.7.1 (2024-01-23)
© 2016-2023 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp1/20241121_gp01SSIP1_alpprediction.pdb
Chain information for 20241121_gp01SSIP1_alpprediction.pdb #1
---
Chain | Description
A | No description available
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp34/fold_20250120_gp34_ssip1_alphapred_model_0.cif
Chain information for fold_20250120_gp34_ssip1_alphapred_model_0.cif #2
---
Chain | Description
A | .
> hide #1 models
> rainbow #2
Alignment identifier is 1/A
Alignment identifier is 2/A
> select #2/A:1
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #2/A:1
8 atoms, 7 bonds, 1 residue, 1 model selected
Alignment identifier is 2/A
> select #2/A:1
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #2/A:1-19
139 atoms, 140 bonds, 19 residues, 1 model selected
> show #1 models
> hide #2 models
> hide #1 models
> show #2 models
> select add #2
2340 atoms, 2394 bonds, 304 residues, 1 model selected
> select subtract #2
Nothing selected
> hide #2 models
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp35/20241223_gp35_alphapred.cif
Chain information for 20241223_gp35_alphapred.cif #3
---
Chain | Description
A | .
> rainbow #3
> show #2 models
> hide #2 models
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp36/20250109_gp36_alphapred.cif
Chain information for 20250109_gp36_alphapred.cif #4
---
Chain | Description
A | .
> hide #3 models
Alignment identifier is 1/A
Alignment identifier is 2/A
Alignment identifier is 3/A
Alignment identifier is 4/A
> rainbow #4
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp40/20250109_gp40_alphapred.cif
Chain information for 20250109_gp40_alphapred.cif #5
---
Chain | Description
A | .
> hide #4 models
> rainbow #5
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp41/fold_20250130_gp41_ssip1_alphapred_model_0.cif
Chain information for fold_20250130_gp41_ssip1_alphapred_model_0.cif #6
---
Chain | Description
A | .
> hide #5 models
> rainbow #6
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/capsomero+gp44/fold_20250125_capsomer_3xgp44_ssip1_model_0.cif
Chain information for fold_20250125_capsomer_3xgp44_ssip1_model_0.cif #7
---
Chain | Description
A B C | .
D E F | .
G H I | .
> show #6-7 cartoons
> hide #6-7 atoms
> close #7
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp44/fold_20250623_gp44ssip1_model_0.cif
Chain information for fold_20250623_gp44ssip1_model_0.cif #7
---
Chain | Description
A | .
> hide #6 models
> rainbow #7
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp52/20241223_gp52_alphapred-
> model.cif
Chain information for 20241223_gp52_alphapred-model.cif #8
---
Chain | Description
A | .
> hide #7 models
> rainbow #8
Alignment identifier is 1/A
Alignment identifier is 2/A
Alignment identifier is 3/A
Alignment identifier is 4/A
Alignment identifier is 5/A
Alignment identifier is 6/A
Alignment identifier is 7/A
Alignment identifier is 8/A
> select #8/A:1
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #8/A:1-18
126 atoms, 126 bonds, 18 residues, 1 model selected
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp56/20250109_gp56_alphapred.cif
Chain information for 20250109_gp56_alphapred.cif #9
---
Chain | Description
A | .
> select add #8
1422 atoms, 1450 bonds, 195 residues, 1 model selected
> select subtract #8
Nothing selected
> hide #8 models
> rainbow #9
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp55/20250109_gp55_alphapred.cif
Chain information for 20250109_gp55_alphapred.cif #10
---
Chain | Description
A | .
> rainbow #9-10
> hide #9 models
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp57/fold_20250130_gp57_ssip1_alphapred_model_0.cif
Chain information for fold_20250130_gp57_ssip1_alphapred_model_0.cif #11
---
Chain | Description
A | .
> hide #10 models
> rainbow #11
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp35+gp36/fold_20250103_3xgp35_3xgp36_ssip1_alphapred_model_0.cif
Chain information for fold_20250103_3xgp35_3xgp36_ssip1_alphapred_model_0.cif
#12
---
Chain | Description
A B C | .
D E F | .
> show #11-12 cartoons
> hide #11-12 atoms
> close #12
> hide #11 models
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp35+gp36/fold_20250211_gp35_gp36_model_0.cif
Chain information for fold_20250211_gp35_gp36_model_0.cif #12
---
Chain | Description
A | .
B | .
> close #12
> open /old-
> home/euribe/EM/ssip-1/proteomica/predicciones/gp35+gp36/fold_20250103_3xgp35_3xgp36_ssip1_alphapred_model_0.cif
Chain information for fold_20250103_3xgp35_3xgp36_ssip1_alphapred_model_0.cif
#12
---
Chain | Description
A B C | .
D E F | .
> hide #12 cartoons
> show #12 cartoons
> hide #12 atoms
> show #2 models
> hide #12 models
> show #12 models
> hide #2 models
> show #1 models
> hide #12 models
> hide #1 models
> show #2 models
> set bgColor white
> select add #2
2340 atoms, 2394 bonds, 304 residues, 1 model selected
Alignment identifier is 2/A
> select #2/A:289
4 atoms, 3 bonds, 1 residue, 1 model selected
> select #2/A:289
4 atoms, 3 bonds, 1 residue, 1 model selected
> select #2/A:289
4 atoms, 3 bonds, 1 residue, 1 model selected
> select #2/A:282
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #2/A:282-301
141 atoms, 143 bonds, 20 residues, 1 model selected
> color sel black
> color sel magenta
> color sel purple
> select add #2
2340 atoms, 2394 bonds, 304 residues, 1 model selected
> select subtract #2
Nothing selected
> show #3 models
> hide #2 models
> show #4 models
> hide #3 models
> show #5 models
> hide #4 models
> show #6 models
> hide #5 models
> show #7 models
> hide #6 models
> show #8 models
> hide #7 models
> show #9 models
> hide #8 models
> show #10 models
> hide #9 models
> show #7 models
> hide #10 models
> hide #7 models
> show #12 models
> show #8 models
> hide #12 models
> select add #8
1422 atoms, 1450 bonds, 195 residues, 1 model selected
Alignment identifier is 8/A
> select #8/A:1
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #8/A:1-18
126 atoms, 126 bonds, 18 residues, 1 model selected
> show #4 models
> hide #8 models
> close #4
> close
> open /old-home/euribe/EM/ssip-1/figures/peripentonal_density_image.cxs
Opened postprocessjob329.mrc as #1, grid size 960,960,960, pixel 1.32, shown
at level 0.00658, step 1, values float32
opened ChimeraX session
> open /old-home/euribe/EM/ssip-1/figures/full-virion_image-twisted_263.cxs
Opened angpix395_mem-gen.mrc as #2, grid size 320,320,320, pixel 3.95, shown
at level 0.00339, step 1, values float32
Opened postprocess329_angpix_263.mrc copy as #5, grid size 480,480,480, pixel
2.64, shown at level 0.00349, step 1, values float32
opened ChimeraX session
> open /old-home/euribe/EM/ssip-1/Mapas/postprocessjob329.mrc
Opened postprocessjob329.mrc as #1, grid size 960,960,960, pixel 1.32, shown
at step 1, values float32
> volume #1 region 0,0,0,959,959,959 step 4
> ui tool show "Surface Color"
> color radial #1.2 palette
> 310,#f66151:355,#f5c211:360,#57e389:465,#3584e4:530,#ff00c7 center
> 632.68,632.68,632.68
> close #5
> close #2
> volume #1 change image level -0.005502,0 level 0.02229,0.8 level 0.05979,1
> volume #1 level 0.01499
> volume #1 step 1
> volume #1 step 2
> hide #3 models
> volume #1 step 1
> volume #1 level 0.0144
> surface dust #1 size 13.2
> ui tool show "Side View"
> volume #1 step 2
> volume #1 level 0.014
> volume #1 level 0.01518
> volume #1 step 1
> volume #1 level 0.01617
> volume #1 level 0.01676
> volume #1 step 2
> volume #1 step 1
> save /old-home/euribe/EM/ssip-1/figures/peripentonal_density_image.cxs
> save /old-home/euribe/EM/ssip-1/figures/20250624_peripentonal_density.png
> width 2319 height 1484 supersample 4 transparentBackground true
> volume #1 step 2
> volume #1 step 1
> volume #1 step 2
> volume #1 step 1
> volume #1 step 2
> volume #1 step 1
> volume #1 level 0.01735
> volume #1 step 2
> volume #1 level 0.01813
> volume #1 step 1
> volume #1 level 0.01931
> volume #1 level 0.01951
> volume #1 step 2
> volume #1 step 1
> save /old-home/euribe/EM/ssip-1/figures/internal_density_image.cxs
> save /old-home/euribe/EM/ssip-1/figures/202506024_internal_density.png width
> 2319 height 1484 supersample 4 transparentBackground true
> close
> open /old-home/euribe/EM/ssip-1/3-fold_pseudo3-fold/20250624_3-fold.pdb
Chain information for 20250624_3-fold.pdb #1
---
Chain | Description
A E K | No description available
B C G I M O | No description available
D H J N a c | No description available
F L b | No description available
> open /old-
> home/euribe/EM/ssip-1/3-fold_pseudo3-fold/20250624_pseudo3-fold.pdb
Chain information for 20250624_pseudo3-fold.pdb #2
---
Chain | Description
J K L P | No description available
Q | No description available
R S T U | No description available
j k l p q s t u | No description available
r | No description available
> select add #1
56811 atoms, 57417 bonds, 3765 residues, 1 model selected
> hide #2 models
> coulombic #1
The following residues are missing heavy (non-hydrogen) atoms, which may
result in inaccurate electrostatics:
20250624_3-fold.pdb #1/A ARG 2
20250624_3-fold.pdb #1/A TYR 10
20250624_3-fold.pdb #1/A ARG 23
20250624_3-fold.pdb #1/A ARG 27
20250624_3-fold.pdb #1/A ARG 29
20250624_3-fold.pdb #1/A ARG 32
20250624_3-fold.pdb #1/A ARG 56
20250624_3-fold.pdb #1/A ARG 61
20250624_3-fold.pdb #1/A TYR 63
20250624_3-fold.pdb #1/A TYR 70
20250624_3-fold.pdb #1/A ARG 73
20250624_3-fold.pdb #1/A ARG 75
20250624_3-fold.pdb #1/A ARG 82
20250624_3-fold.pdb #1/A ARG 112
20250624_3-fold.pdb #1/A ARG 121
20250624_3-fold.pdb #1/A TYR 122
20250624_3-fold.pdb #1/A ARG 161
20250624_3-fold.pdb #1/A ARG 175
20250624_3-fold.pdb #1/A TRP 194
20250624_3-fold.pdb #1/B ARG 2
20250624_3-fold.pdb #1/B TYR 10
20250624_3-fold.pdb #1/B ARG 23
20250624_3-fold.pdb #1/B ARG 27
20250624_3-fold.pdb #1/B ARG 29
20250624_3-fold.pdb #1/B ARG 32
20250624_3-fold.pdb #1/B ARG 56
20250624_3-fold.pdb #1/B ARG 61
20250624_3-fold.pdb #1/B TYR 63
20250624_3-fold.pdb #1/B TYR 70
20250624_3-fold.pdb #1/B ARG 73
20250624_3-fold.pdb #1/B ARG 75
20250624_3-fold.pdb #1/B ARG 82
20250624_3-fold.pdb #1/B ARG 112
20250624_3-fold.pdb #1/B ARG 121
20250624_3-fold.pdb #1/B TYR 122
20250624_3-fold.pdb #1/B ARG 161
20250624_3-fold.pdb #1/B ARG 175
20250624_3-fold.pdb #1/B TRP 194
20250624_3-fold.pdb #1/C ARG 2
20250624_3-fold.pdb #1/C TYR 10
20250624_3-fold.pdb #1/C ARG 23
20250624_3-fold.pdb #1/C ARG 27
20250624_3-fold.pdb #1/C ARG 29
20250624_3-fold.pdb #1/C ARG 32
20250624_3-fold.pdb #1/C ARG 56
20250624_3-fold.pdb #1/C ARG 61
20250624_3-fold.pdb #1/C TYR 63
20250624_3-fold.pdb #1/C TYR 70
20250624_3-fold.pdb #1/C ARG 73
20250624_3-fold.pdb #1/C ARG 75
20250624_3-fold.pdb #1/C ARG 82
20250624_3-fold.pdb #1/C ARG 112
20250624_3-fold.pdb #1/C ARG 121
20250624_3-fold.pdb #1/C TYR 122
20250624_3-fold.pdb #1/C ARG 161
20250624_3-fold.pdb #1/C ARG 175
20250624_3-fold.pdb #1/C TRP 194
20250624_3-fold.pdb #1/D TYR 5
20250624_3-fold.pdb #1/D ARG 10
20250624_3-fold.pdb #1/D ARG 26
20250624_3-fold.pdb #1/D TYR 58
20250624_3-fold.pdb #1/D ARG 60
20250624_3-fold.pdb #1/D ARG 65
20250624_3-fold.pdb #1/D ARG 67
20250624_3-fold.pdb #1/D TYR 69
20250624_3-fold.pdb #1/D ARG 106
20250624_3-fold.pdb #1/D TYR 133
20250624_3-fold.pdb #1/D ARG 149
20250624_3-fold.pdb #1/D ARG 160
20250624_3-fold.pdb #1/D TRP 173
20250624_3-fold.pdb #1/D TRP 191
20250624_3-fold.pdb #1/D ARG 210
20250624_3-fold.pdb #1/E ARG 2
20250624_3-fold.pdb #1/E TYR 10
20250624_3-fold.pdb #1/E ARG 23
20250624_3-fold.pdb #1/E ARG 27
20250624_3-fold.pdb #1/E ARG 29
20250624_3-fold.pdb #1/E ARG 32
20250624_3-fold.pdb #1/E ARG 56
20250624_3-fold.pdb #1/E ARG 61
20250624_3-fold.pdb #1/E TYR 63
20250624_3-fold.pdb #1/E TYR 70
20250624_3-fold.pdb #1/E ARG 73
20250624_3-fold.pdb #1/E ARG 75
20250624_3-fold.pdb #1/E ARG 82
20250624_3-fold.pdb #1/E ARG 112
20250624_3-fold.pdb #1/E ARG 121
20250624_3-fold.pdb #1/E TYR 122
20250624_3-fold.pdb #1/E ARG 161
20250624_3-fold.pdb #1/E ARG 175
20250624_3-fold.pdb #1/E TRP 194
20250624_3-fold.pdb #1/F TYR 5
20250624_3-fold.pdb #1/F ARG 10
20250624_3-fold.pdb #1/F ARG 26
20250624_3-fold.pdb #1/F TYR 58
20250624_3-fold.pdb #1/F ARG 60
20250624_3-fold.pdb #1/F ARG 65
20250624_3-fold.pdb #1/F ARG 67
20250624_3-fold.pdb #1/F TYR 69
20250624_3-fold.pdb #1/F ARG 106
20250624_3-fold.pdb #1/F TYR 133
20250624_3-fold.pdb #1/F ARG 149
20250624_3-fold.pdb #1/F ARG 160
20250624_3-fold.pdb #1/F TRP 173
20250624_3-fold.pdb #1/F TRP 191
20250624_3-fold.pdb #1/F ARG 210
20250624_3-fold.pdb #1/G ARG 2
20250624_3-fold.pdb #1/G TYR 10
20250624_3-fold.pdb #1/G ARG 23
20250624_3-fold.pdb #1/G ARG 27
20250624_3-fold.pdb #1/G ARG 29
20250624_3-fold.pdb #1/G ARG 32
20250624_3-fold.pdb #1/G ARG 56
20250624_3-fold.pdb #1/G ARG 61
20250624_3-fold.pdb #1/G TYR 63
20250624_3-fold.pdb #1/G TYR 70
20250624_3-fold.pdb #1/G ARG 73
20250624_3-fold.pdb #1/G ARG 75
20250624_3-fold.pdb #1/G ARG 82
20250624_3-fold.pdb #1/G ARG 112
20250624_3-fold.pdb #1/G ARG 121
20250624_3-fold.pdb #1/G TYR 122
20250624_3-fold.pdb #1/G ARG 161
20250624_3-fold.pdb #1/G ARG 175
20250624_3-fold.pdb #1/G TRP 194
20250624_3-fold.pdb #1/H TYR 5
20250624_3-fold.pdb #1/H ARG 10
20250624_3-fold.pdb #1/H ARG 26
20250624_3-fold.pdb #1/H TYR 58
20250624_3-fold.pdb #1/H ARG 60
20250624_3-fold.pdb #1/H ARG 65
20250624_3-fold.pdb #1/H ARG 67
20250624_3-fold.pdb #1/H TYR 69
20250624_3-fold.pdb #1/H ARG 106
20250624_3-fold.pdb #1/H TYR 133
20250624_3-fold.pdb #1/H ARG 149
20250624_3-fold.pdb #1/H ARG 160
20250624_3-fold.pdb #1/H TRP 173
20250624_3-fold.pdb #1/H TRP 191
20250624_3-fold.pdb #1/H ARG 210
20250624_3-fold.pdb #1/I ARG 2
20250624_3-fold.pdb #1/I TYR 10
20250624_3-fold.pdb #1/I ARG 23
20250624_3-fold.pdb #1/I ARG 27
20250624_3-fold.pdb #1/I ARG 29
20250624_3-fold.pdb #1/I ARG 32
20250624_3-fold.pdb #1/I ARG 56
20250624_3-fold.pdb #1/I ARG 61
20250624_3-fold.pdb #1/I TYR 63
20250624_3-fold.pdb #1/I TYR 70
20250624_3-fold.pdb #1/I ARG 73
20250624_3-fold.pdb #1/I ARG 75
20250624_3-fold.pdb #1/I ARG 82
20250624_3-fold.pdb #1/I ARG 112
20250624_3-fold.pdb #1/I ARG 121
20250624_3-fold.pdb #1/I TYR 122
20250624_3-fold.pdb #1/I ARG 161
20250624_3-fold.pdb #1/I ARG 175
20250624_3-fold.pdb #1/I TRP 194
20250624_3-fold.pdb #1/J TYR 5
20250624_3-fold.pdb #1/J ARG 10
20250624_3-fold.pdb #1/J ARG 26
20250624_3-fold.pdb #1/J TYR 58
20250624_3-fold.pdb #1/J ARG 60
20250624_3-fold.pdb #1/J ARG 65
20250624_3-fold.pdb #1/J ARG 67
20250624_3-fold.pdb #1/J TYR 69
20250624_3-fold.pdb #1/J ARG 106
20250624_3-fold.pdb #1/J TYR 133
20250624_3-fold.pdb #1/J ARG 149
20250624_3-fold.pdb #1/J ARG 160
20250624_3-fold.pdb #1/J TRP 173
20250624_3-fold.pdb #1/J TRP 191
20250624_3-fold.pdb #1/J ARG 210
20250624_3-fold.pdb #1/K ARG 2
20250624_3-fold.pdb #1/K TYR 10
20250624_3-fold.pdb #1/K ARG 23
20250624_3-fold.pdb #1/K ARG 27
20250624_3-fold.pdb #1/K ARG 29
20250624_3-fold.pdb #1/K ARG 32
20250624_3-fold.pdb #1/K ARG 56
20250624_3-fold.pdb #1/K ARG 61
20250624_3-fold.pdb #1/K TYR 63
20250624_3-fold.pdb #1/K TYR 70
20250624_3-fold.pdb #1/K ARG 73
20250624_3-fold.pdb #1/K ARG 75
20250624_3-fold.pdb #1/K ARG 82
20250624_3-fold.pdb #1/K ARG 112
20250624_3-fold.pdb #1/K ARG 121
20250624_3-fold.pdb #1/K TYR 122
20250624_3-fold.pdb #1/K ARG 161
20250624_3-fold.pdb #1/K ARG 175
20250624_3-fold.pdb #1/K TRP 194
20250624_3-fold.pdb #1/L TYR 5
20250624_3-fold.pdb #1/L ARG 10
20250624_3-fold.pdb #1/L ARG 26
20250624_3-fold.pdb #1/L TYR 58
20250624_3-fold.pdb #1/L ARG 60
20250624_3-fold.pdb #1/L ARG 65
20250624_3-fold.pdb #1/L ARG 67
20250624_3-fold.pdb #1/L TYR 69
20250624_3-fold.pdb #1/L ARG 106
20250624_3-fold.pdb #1/L TYR 133
20250624_3-fold.pdb #1/L ARG 149
20250624_3-fold.pdb #1/L ARG 160
20250624_3-fold.pdb #1/L TRP 173
20250624_3-fold.pdb #1/L TRP 191
20250624_3-fold.pdb #1/L ARG 210
20250624_3-fold.pdb #1/M ARG 2
20250624_3-fold.pdb #1/M TYR 10
20250624_3-fold.pdb #1/M ARG 23
20250624_3-fold.pdb #1/M ARG 27
20250624_3-fold.pdb #1/M ARG 29
20250624_3-fold.pdb #1/M ARG 32
20250624_3-fold.pdb #1/M ARG 56
20250624_3-fold.pdb #1/M ARG 61
20250624_3-fold.pdb #1/M TYR 63
20250624_3-fold.pdb #1/M TYR 70
20250624_3-fold.pdb #1/M ARG 73
20250624_3-fold.pdb #1/M ARG 75
20250624_3-fold.pdb #1/M ARG 82
20250624_3-fold.pdb #1/M ARG 112
20250624_3-fold.pdb #1/M ARG 121
20250624_3-fold.pdb #1/M TYR 122
20250624_3-fold.pdb #1/M ARG 161
20250624_3-fold.pdb #1/M ARG 175
20250624_3-fold.pdb #1/M TRP 194
20250624_3-fold.pdb #1/N TYR 5
20250624_3-fold.pdb #1/N ARG 10
20250624_3-fold.pdb #1/N ARG 26
20250624_3-fold.pdb #1/N TYR 58
20250624_3-fold.pdb #1/N ARG 60
20250624_3-fold.pdb #1/N ARG 65
20250624_3-fold.pdb #1/N ARG 67
20250624_3-fold.pdb #1/N TYR 69
20250624_3-fold.pdb #1/N ARG 106
20250624_3-fold.pdb #1/N TYR 133
20250624_3-fold.pdb #1/N ARG 149
20250624_3-fold.pdb #1/N ARG 160
20250624_3-fold.pdb #1/N TRP 173
20250624_3-fold.pdb #1/N TRP 191
20250624_3-fold.pdb #1/N ARG 210
20250624_3-fold.pdb #1/O ARG 2
20250624_3-fold.pdb #1/O TYR 10
20250624_3-fold.pdb #1/O ARG 23
20250624_3-fold.pdb #1/O ARG 27
20250624_3-fold.pdb #1/O ARG 29
20250624_3-fold.pdb #1/O ARG 32
20250624_3-fold.pdb #1/O ARG 56
20250624_3-fold.pdb #1/O ARG 61
20250624_3-fold.pdb #1/O TYR 63
20250624_3-fold.pdb #1/O TYR 70
20250624_3-fold.pdb #1/O ARG 73
20250624_3-fold.pdb #1/O ARG 75
20250624_3-fold.pdb #1/O ARG 82
20250624_3-fold.pdb #1/O ARG 112
20250624_3-fold.pdb #1/O ARG 121
20250624_3-fold.pdb #1/O TYR 122
20250624_3-fold.pdb #1/O ARG 161
20250624_3-fold.pdb #1/O ARG 175
20250624_3-fold.pdb #1/O TRP 194
20250624_3-fold.pdb #1/a TYR 5
20250624_3-fold.pdb #1/a ARG 10
20250624_3-fold.pdb #1/a ARG 26
20250624_3-fold.pdb #1/a TYR 58
20250624_3-fold.pdb #1/a ARG 60
20250624_3-fold.pdb #1/a ARG 65
20250624_3-fold.pdb #1/a ARG 67
20250624_3-fold.pdb #1/a TYR 69
20250624_3-fold.pdb #1/a ARG 106
20250624_3-fold.pdb #1/a TYR 133
20250624_3-fold.pdb #1/a ARG 149
20250624_3-fold.pdb #1/a ARG 160
20250624_3-fold.pdb #1/a TRP 173
20250624_3-fold.pdb #1/a TRP 191
20250624_3-fold.pdb #1/a ARG 210
20250624_3-fold.pdb #1/b TYR 5
20250624_3-fold.pdb #1/b ARG 10
20250624_3-fold.pdb #1/b ARG 26
20250624_3-fold.pdb #1/b TYR 58
20250624_3-fold.pdb #1/b ARG 60
20250624_3-fold.pdb #1/b ARG 65
20250624_3-fold.pdb #1/b ARG 67
20250624_3-fold.pdb #1/b TYR 69
20250624_3-fold.pdb #1/b ARG 106
20250624_3-fold.pdb #1/b TYR 133
20250624_3-fold.pdb #1/b ARG 149
20250624_3-fold.pdb #1/b ARG 160
20250624_3-fold.pdb #1/b TRP 173
20250624_3-fold.pdb #1/b TRP 191
20250624_3-fold.pdb #1/b ARG 210
20250624_3-fold.pdb #1/c TYR 5
20250624_3-fold.pdb #1/c ARG 10
20250624_3-fold.pdb #1/c ARG 26
20250624_3-fold.pdb #1/c TYR 58
20250624_3-fold.pdb #1/c ARG 60
20250624_3-fold.pdb #1/c ARG 65
20250624_3-fold.pdb #1/c ARG 67
20250624_3-fold.pdb #1/c TYR 69
20250624_3-fold.pdb #1/c ARG 106
20250624_3-fold.pdb #1/c TYR 133
20250624_3-fold.pdb #1/c ARG 149
20250624_3-fold.pdb #1/c ARG 160
20250624_3-fold.pdb #1/c TRP 173
20250624_3-fold.pdb #1/c TRP 191
20250624_3-fold.pdb #1/c ARG 210
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for 20250624_3-fold.pdb_A SES surface #1.1: minimum, -16.66,
mean 0.47, maximum 26.41
Coulombic values for 20250624_3-fold.pdb_B SES surface #1.2: minimum, -23.05,
mean 0.57, maximum 16.56
Coulombic values for 20250624_3-fold.pdb_C SES surface #1.3: minimum, -20.62,
mean 0.38, maximum 16.25
Coulombic values for 20250624_3-fold.pdb_D SES surface #1.4: minimum, -21.38,
mean -3.72, maximum 15.88
Coulombic values for 20250624_3-fold.pdb_E SES surface #1.5: minimum, -17.05,
mean 0.46, maximum 15.46
Coulombic values for 20250624_3-fold.pdb_F SES surface #1.6: minimum, -22.36,
mean -3.06, maximum 15.26
Coulombic values for 20250624_3-fold.pdb_G SES surface #1.7: minimum, -17.18,
mean 0.63, maximum 16.42
Coulombic values for 20250624_3-fold.pdb_H SES surface #1.8: minimum, -21.41,
mean -3.63, maximum 16.70
Coulombic values for 20250624_3-fold.pdb_I SES surface #1.9: minimum, -17.28,
mean 0.37, maximum 16.61
Coulombic values for 20250624_3-fold.pdb_J SES surface #1.10: minimum, -21.24,
mean -3.73, maximum 15.93
Coulombic values for 20250624_3-fold.pdb_K SES surface #1.11: minimum, -16.12,
mean 0.48, maximum 28.44
Coulombic values for 20250624_3-fold.pdb_L SES surface #1.12: minimum, -23.59,
mean -3.07, maximum 15.36
Coulombic values for 20250624_3-fold.pdb_M SES surface #1.13: minimum, -17.40,
mean 0.60, maximum 16.68
Coulombic values for 20250624_3-fold.pdb_N SES surface #1.14: minimum, -22.82,
mean -3.67, maximum 17.03
Coulombic values for 20250624_3-fold.pdb_O SES surface #1.15: minimum, -16.44,
mean 0.35, maximum 16.99
Coulombic values for 20250624_3-fold.pdb_a SES surface #1.16: minimum, -21.56,
mean -3.74, maximum 16.14
Coulombic values for 20250624_3-fold.pdb_b SES surface #1.17: minimum, -22.87,
mean -3.05, maximum 15.16
Coulombic values for 20250624_3-fold.pdb_c SES surface #1.18: minimum, -20.66,
mean -3.65, maximum 16.23
> show #2 models
> hide #!1 models
> coulombic #2
The following residues are missing heavy (non-hydrogen) atoms, which may
result in inaccurate electrostatics:
20250624_pseudo3-fold.pdb #2/J ARG 2
20250624_pseudo3-fold.pdb #2/J TYR 10
20250624_pseudo3-fold.pdb #2/J ARG 23
20250624_pseudo3-fold.pdb #2/J ARG 27
20250624_pseudo3-fold.pdb #2/J ARG 29
20250624_pseudo3-fold.pdb #2/J ARG 32
20250624_pseudo3-fold.pdb #2/J ARG 56
20250624_pseudo3-fold.pdb #2/J ARG 61
20250624_pseudo3-fold.pdb #2/J TYR 63
20250624_pseudo3-fold.pdb #2/J TYR 70
20250624_pseudo3-fold.pdb #2/J ARG 73
20250624_pseudo3-fold.pdb #2/J ARG 75
20250624_pseudo3-fold.pdb #2/J ARG 82
20250624_pseudo3-fold.pdb #2/J ARG 112
20250624_pseudo3-fold.pdb #2/J ARG 121
20250624_pseudo3-fold.pdb #2/J TYR 122
20250624_pseudo3-fold.pdb #2/J ARG 161
20250624_pseudo3-fold.pdb #2/J ARG 175
20250624_pseudo3-fold.pdb #2/J TRP 194
20250624_pseudo3-fold.pdb #2/K ARG 2
20250624_pseudo3-fold.pdb #2/K TYR 10
20250624_pseudo3-fold.pdb #2/K ARG 23
20250624_pseudo3-fold.pdb #2/K ARG 27
20250624_pseudo3-fold.pdb #2/K ARG 29
20250624_pseudo3-fold.pdb #2/K ARG 32
20250624_pseudo3-fold.pdb #2/K ARG 56
20250624_pseudo3-fold.pdb #2/K ARG 61
20250624_pseudo3-fold.pdb #2/K TYR 63
20250624_pseudo3-fold.pdb #2/K TYR 70
20250624_pseudo3-fold.pdb #2/K ARG 73
20250624_pseudo3-fold.pdb #2/K ARG 75
20250624_pseudo3-fold.pdb #2/K ARG 82
20250624_pseudo3-fold.pdb #2/K ARG 112
20250624_pseudo3-fold.pdb #2/K ARG 121
20250624_pseudo3-fold.pdb #2/K TYR 122
20250624_pseudo3-fold.pdb #2/K ARG 161
20250624_pseudo3-fold.pdb #2/K ARG 175
20250624_pseudo3-fold.pdb #2/K TRP 194
20250624_pseudo3-fold.pdb #2/L ARG 2
20250624_pseudo3-fold.pdb #2/L TYR 10
20250624_pseudo3-fold.pdb #2/L ARG 23
20250624_pseudo3-fold.pdb #2/L ARG 27
20250624_pseudo3-fold.pdb #2/L ARG 29
20250624_pseudo3-fold.pdb #2/L ARG 32
20250624_pseudo3-fold.pdb #2/L ARG 56
20250624_pseudo3-fold.pdb #2/L ARG 61
20250624_pseudo3-fold.pdb #2/L TYR 63
20250624_pseudo3-fold.pdb #2/L TYR 70
20250624_pseudo3-fold.pdb #2/L ARG 73
20250624_pseudo3-fold.pdb #2/L ARG 75
20250624_pseudo3-fold.pdb #2/L ARG 82
20250624_pseudo3-fold.pdb #2/L ARG 112
20250624_pseudo3-fold.pdb #2/L ARG 121
20250624_pseudo3-fold.pdb #2/L TYR 122
20250624_pseudo3-fold.pdb #2/L ARG 161
20250624_pseudo3-fold.pdb #2/L ARG 175
20250624_pseudo3-fold.pdb #2/L TRP 194
20250624_pseudo3-fold.pdb #2/P ARG 2
20250624_pseudo3-fold.pdb #2/P TYR 10
20250624_pseudo3-fold.pdb #2/P ARG 23
20250624_pseudo3-fold.pdb #2/P ARG 27
20250624_pseudo3-fold.pdb #2/P ARG 29
20250624_pseudo3-fold.pdb #2/P ARG 32
20250624_pseudo3-fold.pdb #2/P ARG 56
20250624_pseudo3-fold.pdb #2/P ARG 61
20250624_pseudo3-fold.pdb #2/P TYR 63
20250624_pseudo3-fold.pdb #2/P TYR 70
20250624_pseudo3-fold.pdb #2/P ARG 73
20250624_pseudo3-fold.pdb #2/P ARG 75
20250624_pseudo3-fold.pdb #2/P ARG 82
20250624_pseudo3-fold.pdb #2/P ARG 112
20250624_pseudo3-fold.pdb #2/P ARG 121
20250624_pseudo3-fold.pdb #2/P TYR 122
20250624_pseudo3-fold.pdb #2/P ARG 161
20250624_pseudo3-fold.pdb #2/P ARG 175
20250624_pseudo3-fold.pdb #2/P TRP 194
20250624_pseudo3-fold.pdb #2/Q ARG 2
20250624_pseudo3-fold.pdb #2/Q TYR 10
20250624_pseudo3-fold.pdb #2/Q ARG 23
20250624_pseudo3-fold.pdb #2/Q ARG 27
20250624_pseudo3-fold.pdb #2/Q ARG 29
20250624_pseudo3-fold.pdb #2/Q ARG 32
20250624_pseudo3-fold.pdb #2/Q ARG 56
20250624_pseudo3-fold.pdb #2/Q ARG 61
20250624_pseudo3-fold.pdb #2/Q TYR 63
20250624_pseudo3-fold.pdb #2/Q TYR 70
20250624_pseudo3-fold.pdb #2/Q ARG 73
20250624_pseudo3-fold.pdb #2/Q ARG 75
20250624_pseudo3-fold.pdb #2/Q ARG 82
20250624_pseudo3-fold.pdb #2/Q ARG 112
20250624_pseudo3-fold.pdb #2/Q ARG 121
20250624_pseudo3-fold.pdb #2/Q TYR 122
20250624_pseudo3-fold.pdb #2/Q ARG 161
20250624_pseudo3-fold.pdb #2/Q ARG 175
20250624_pseudo3-fold.pdb #2/Q TRP 194
20250624_pseudo3-fold.pdb #2/R ARG 2
20250624_pseudo3-fold.pdb #2/R TYR 10
20250624_pseudo3-fold.pdb #2/R ARG 23
20250624_pseudo3-fold.pdb #2/R ARG 27
20250624_pseudo3-fold.pdb #2/R ARG 29
20250624_pseudo3-fold.pdb #2/R ARG 32
20250624_pseudo3-fold.pdb #2/R ARG 56
20250624_pseudo3-fold.pdb #2/R ARG 61
20250624_pseudo3-fold.pdb #2/R TYR 63
20250624_pseudo3-fold.pdb #2/R TYR 70
20250624_pseudo3-fold.pdb #2/R ARG 73
20250624_pseudo3-fold.pdb #2/R ARG 75
20250624_pseudo3-fold.pdb #2/R ARG 82
20250624_pseudo3-fold.pdb #2/R ARG 112
20250624_pseudo3-fold.pdb #2/R ARG 121
20250624_pseudo3-fold.pdb #2/R TYR 122
20250624_pseudo3-fold.pdb #2/R ARG 161
20250624_pseudo3-fold.pdb #2/R ARG 175
20250624_pseudo3-fold.pdb #2/R TRP 194
20250624_pseudo3-fold.pdb #2/S ARG 2
20250624_pseudo3-fold.pdb #2/S TYR 10
20250624_pseudo3-fold.pdb #2/S ARG 23
20250624_pseudo3-fold.pdb #2/S ARG 27
20250624_pseudo3-fold.pdb #2/S ARG 29
20250624_pseudo3-fold.pdb #2/S ARG 32
20250624_pseudo3-fold.pdb #2/S ARG 56
20250624_pseudo3-fold.pdb #2/S ARG 61
20250624_pseudo3-fold.pdb #2/S TYR 63
20250624_pseudo3-fold.pdb #2/S TYR 70
20250624_pseudo3-fold.pdb #2/S ARG 73
20250624_pseudo3-fold.pdb #2/S ARG 75
20250624_pseudo3-fold.pdb #2/S ARG 82
20250624_pseudo3-fold.pdb #2/S ARG 112
20250624_pseudo3-fold.pdb #2/S ARG 121
20250624_pseudo3-fold.pdb #2/S TYR 122
20250624_pseudo3-fold.pdb #2/S ARG 161
20250624_pseudo3-fold.pdb #2/S ARG 175
20250624_pseudo3-fold.pdb #2/S TRP 194
20250624_pseudo3-fold.pdb #2/T ARG 2
20250624_pseudo3-fold.pdb #2/T TYR 10
20250624_pseudo3-fold.pdb #2/T ARG 23
20250624_pseudo3-fold.pdb #2/T ARG 27
20250624_pseudo3-fold.pdb #2/T ARG 29
20250624_pseudo3-fold.pdb #2/T ARG 32
20250624_pseudo3-fold.pdb #2/T ARG 56
20250624_pseudo3-fold.pdb #2/T ARG 61
20250624_pseudo3-fold.pdb #2/T TYR 63
20250624_pseudo3-fold.pdb #2/T TYR 70
20250624_pseudo3-fold.pdb #2/T ARG 73
20250624_pseudo3-fold.pdb #2/T ARG 75
20250624_pseudo3-fold.pdb #2/T ARG 82
20250624_pseudo3-fold.pdb #2/T ARG 112
20250624_pseudo3-fold.pdb #2/T ARG 121
20250624_pseudo3-fold.pdb #2/T TYR 122
20250624_pseudo3-fold.pdb #2/T ARG 161
20250624_pseudo3-fold.pdb #2/T ARG 175
20250624_pseudo3-fold.pdb #2/T TRP 194
20250624_pseudo3-fold.pdb #2/U ARG 2
20250624_pseudo3-fold.pdb #2/U TYR 10
20250624_pseudo3-fold.pdb #2/U ARG 23
20250624_pseudo3-fold.pdb #2/U ARG 27
20250624_pseudo3-fold.pdb #2/U ARG 29
20250624_pseudo3-fold.pdb #2/U ARG 32
20250624_pseudo3-fold.pdb #2/U ARG 56
20250624_pseudo3-fold.pdb #2/U ARG 61
20250624_pseudo3-fold.pdb #2/U TYR 63
20250624_pseudo3-fold.pdb #2/U TYR 70
20250624_pseudo3-fold.pdb #2/U ARG 73
20250624_pseudo3-fold.pdb #2/U ARG 75
20250624_pseudo3-fold.pdb #2/U ARG 82
20250624_pseudo3-fold.pdb #2/U ARG 112
20250624_pseudo3-fold.pdb #2/U ARG 121
20250624_pseudo3-fold.pdb #2/U TYR 122
20250624_pseudo3-fold.pdb #2/U ARG 161
20250624_pseudo3-fold.pdb #2/U ARG 175
20250624_pseudo3-fold.pdb #2/U TRP 194
20250624_pseudo3-fold.pdb #2/j TYR 5
20250624_pseudo3-fold.pdb #2/j ARG 10
20250624_pseudo3-fold.pdb #2/j ARG 26
20250624_pseudo3-fold.pdb #2/j TYR 58
20250624_pseudo3-fold.pdb #2/j ARG 60
20250624_pseudo3-fold.pdb #2/j ARG 65
20250624_pseudo3-fold.pdb #2/j ARG 67
20250624_pseudo3-fold.pdb #2/j TYR 69
20250624_pseudo3-fold.pdb #2/j ARG 106
20250624_pseudo3-fold.pdb #2/j TYR 133
20250624_pseudo3-fold.pdb #2/j ARG 149
20250624_pseudo3-fold.pdb #2/j ARG 160
20250624_pseudo3-fold.pdb #2/j TRP 173
20250624_pseudo3-fold.pdb #2/j TRP 191
20250624_pseudo3-fold.pdb #2/j ARG 210
20250624_pseudo3-fold.pdb #2/k TYR 5
20250624_pseudo3-fold.pdb #2/k ARG 10
20250624_pseudo3-fold.pdb #2/k ARG 26
20250624_pseudo3-fold.pdb #2/k TYR 58
20250624_pseudo3-fold.pdb #2/k ARG 60
20250624_pseudo3-fold.pdb #2/k ARG 65
20250624_pseudo3-fold.pdb #2/k ARG 67
20250624_pseudo3-fold.pdb #2/k TYR 69
20250624_pseudo3-fold.pdb #2/k ARG 106
20250624_pseudo3-fold.pdb #2/k TYR 133
20250624_pseudo3-fold.pdb #2/k ARG 149
20250624_pseudo3-fold.pdb #2/k ARG 160
20250624_pseudo3-fold.pdb #2/k TRP 173
20250624_pseudo3-fold.pdb #2/k TRP 191
20250624_pseudo3-fold.pdb #2/k ARG 210
20250624_pseudo3-fold.pdb #2/l TYR 5
20250624_pseudo3-fold.pdb #2/l ARG 10
20250624_pseudo3-fold.pdb #2/l ARG 26
20250624_pseudo3-fold.pdb #2/l TYR 58
20250624_pseudo3-fold.pdb #2/l ARG 60
20250624_pseudo3-fold.pdb #2/l ARG 65
20250624_pseudo3-fold.pdb #2/l ARG 67
20250624_pseudo3-fold.pdb #2/l TYR 69
20250624_pseudo3-fold.pdb #2/l ARG 106
20250624_pseudo3-fold.pdb #2/l TYR 133
20250624_pseudo3-fold.pdb #2/l ARG 149
20250624_pseudo3-fold.pdb #2/l ARG 160
20250624_pseudo3-fold.pdb #2/l TRP 173
20250624_pseudo3-fold.pdb #2/l TRP 191
20250624_pseudo3-fold.pdb #2/l ARG 210
20250624_pseudo3-fold.pdb #2/p TYR 5
20250624_pseudo3-fold.pdb #2/p ARG 10
20250624_pseudo3-fold.pdb #2/p ARG 26
20250624_pseudo3-fold.pdb #2/p TYR 58
20250624_pseudo3-fold.pdb #2/p ARG 60
20250624_pseudo3-fold.pdb #2/p ARG 65
20250624_pseudo3-fold.pdb #2/p ARG 67
20250624_pseudo3-fold.pdb #2/p TYR 69
20250624_pseudo3-fold.pdb #2/p ARG 106
20250624_pseudo3-fold.pdb #2/p TYR 133
20250624_pseudo3-fold.pdb #2/p ARG 149
20250624_pseudo3-fold.pdb #2/p ARG 160
20250624_pseudo3-fold.pdb #2/p TRP 173
20250624_pseudo3-fold.pdb #2/p TRP 191
20250624_pseudo3-fold.pdb #2/p ARG 210
20250624_pseudo3-fold.pdb #2/q TYR 5
20250624_pseudo3-fold.pdb #2/q ARG 10
20250624_pseudo3-fold.pdb #2/q ARG 26
20250624_pseudo3-fold.pdb #2/q TYR 58
20250624_pseudo3-fold.pdb #2/q ARG 60
20250624_pseudo3-fold.pdb #2/q ARG 65
20250624_pseudo3-fold.pdb #2/q ARG 67
20250624_pseudo3-fold.pdb #2/q TYR 69
20250624_pseudo3-fold.pdb #2/q ARG 106
20250624_pseudo3-fold.pdb #2/q TYR 133
20250624_pseudo3-fold.pdb #2/q ARG 149
20250624_pseudo3-fold.pdb #2/q ARG 160
20250624_pseudo3-fold.pdb #2/q TRP 173
20250624_pseudo3-fold.pdb #2/q TRP 191
20250624_pseudo3-fold.pdb #2/q ARG 210
20250624_pseudo3-fold.pdb #2/r TYR 5
20250624_pseudo3-fold.pdb #2/r ARG 10
20250624_pseudo3-fold.pdb #2/r ARG 26
20250624_pseudo3-fold.pdb #2/r TYR 58
20250624_pseudo3-fold.pdb #2/r ARG 60
20250624_pseudo3-fold.pdb #2/r ARG 65
20250624_pseudo3-fold.pdb #2/r ARG 67
20250624_pseudo3-fold.pdb #2/r TYR 69
20250624_pseudo3-fold.pdb #2/r ARG 106
20250624_pseudo3-fold.pdb #2/r TYR 133
20250624_pseudo3-fold.pdb #2/r ARG 149
20250624_pseudo3-fold.pdb #2/r ARG 160
20250624_pseudo3-fold.pdb #2/r TRP 173
20250624_pseudo3-fold.pdb #2/r TRP 191
20250624_pseudo3-fold.pdb #2/r ARG 210
20250624_pseudo3-fold.pdb #2/s TYR 5
20250624_pseudo3-fold.pdb #2/s ARG 10
20250624_pseudo3-fold.pdb #2/s ARG 26
20250624_pseudo3-fold.pdb #2/s TYR 58
20250624_pseudo3-fold.pdb #2/s ARG 60
20250624_pseudo3-fold.pdb #2/s ARG 65
20250624_pseudo3-fold.pdb #2/s ARG 67
20250624_pseudo3-fold.pdb #2/s TYR 69
20250624_pseudo3-fold.pdb #2/s ARG 106
20250624_pseudo3-fold.pdb #2/s TYR 133
20250624_pseudo3-fold.pdb #2/s ARG 149
20250624_pseudo3-fold.pdb #2/s ARG 160
20250624_pseudo3-fold.pdb #2/s TRP 173
20250624_pseudo3-fold.pdb #2/s TRP 191
20250624_pseudo3-fold.pdb #2/s ARG 210
20250624_pseudo3-fold.pdb #2/t TYR 5
20250624_pseudo3-fold.pdb #2/t ARG 10
20250624_pseudo3-fold.pdb #2/t ARG 26
20250624_pseudo3-fold.pdb #2/t TYR 58
20250624_pseudo3-fold.pdb #2/t ARG 60
20250624_pseudo3-fold.pdb #2/t ARG 65
20250624_pseudo3-fold.pdb #2/t ARG 67
20250624_pseudo3-fold.pdb #2/t TYR 69
20250624_pseudo3-fold.pdb #2/t ARG 106
20250624_pseudo3-fold.pdb #2/t TYR 133
20250624_pseudo3-fold.pdb #2/t ARG 149
20250624_pseudo3-fold.pdb #2/t ARG 160
20250624_pseudo3-fold.pdb #2/t TRP 173
20250624_pseudo3-fold.pdb #2/t TRP 191
20250624_pseudo3-fold.pdb #2/t ARG 210
20250624_pseudo3-fold.pdb #2/u TYR 5
20250624_pseudo3-fold.pdb #2/u ARG 10
20250624_pseudo3-fold.pdb #2/u ARG 26
20250624_pseudo3-fold.pdb #2/u TYR 58
20250624_pseudo3-fold.pdb #2/u ARG 60
20250624_pseudo3-fold.pdb #2/u ARG 65
20250624_pseudo3-fold.pdb #2/u ARG 67
20250624_pseudo3-fold.pdb #2/u TYR 69
20250624_pseudo3-fold.pdb #2/u ARG 106
20250624_pseudo3-fold.pdb #2/u TYR 133
20250624_pseudo3-fold.pdb #2/u ARG 149
20250624_pseudo3-fold.pdb #2/u ARG 160
20250624_pseudo3-fold.pdb #2/u TRP 173
20250624_pseudo3-fold.pdb #2/u TRP 191
20250624_pseudo3-fold.pdb #2/u ARG 210
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for 20250624_pseudo3-fold.pdb_J SES surface #2.1: minimum,
-17.31, mean 0.67, maximum 16.08
Coulombic values for 20250624_pseudo3-fold.pdb_K SES surface #2.2: minimum,
-16.84, mean 0.45, maximum 24.10
Coulombic values for 20250624_pseudo3-fold.pdb_L SES surface #2.3: minimum,
-16.24, mean 0.67, maximum 16.34
Coulombic values for 20250624_pseudo3-fold.pdb_P SES surface #2.4: minimum,
-18.22, mean 0.02, maximum 16.77
Coulombic values for 20250624_pseudo3-fold.pdb_Q SES surface #2.5: minimum,
-17.31, mean 0.33, maximum 17.49
Coulombic values for 20250624_pseudo3-fold.pdb_R SES surface #2.6: minimum,
-17.28, mean 0.25, maximum 24.62
Coulombic values for 20250624_pseudo3-fold.pdb_S SES surface #2.7: minimum,
-16.82, mean 0.29, maximum 15.48
Coulombic values for 20250624_pseudo3-fold.pdb_T SES surface #2.8: minimum,
-16.35, mean 0.41, maximum 16.10
Coulombic values for 20250624_pseudo3-fold.pdb_U SES surface #2.9: minimum,
-17.32, mean 0.11, maximum 16.58
Coulombic values for 20250624_pseudo3-fold.pdb_j SES surface #2.10: minimum,
-21.20, mean -3.44, maximum 20.06
Coulombic values for 20250624_pseudo3-fold.pdb_k SES surface #2.11: minimum,
-22.87, mean -3.53, maximum 14.65
Coulombic values for 20250624_pseudo3-fold.pdb_l SES surface #2.12: minimum,
-27.71, mean -3.23, maximum 16.88
Coulombic values for 20250624_pseudo3-fold.pdb_p SES surface #2.13: minimum,
-19.63, mean -3.49, maximum 11.68
Coulombic values for 20250624_pseudo3-fold.pdb_q SES surface #2.14: minimum,
-20.90, mean -3.44, maximum 12.92
Coulombic values for 20250624_pseudo3-fold.pdb_r SES surface #2.15: minimum,
-24.12, mean -3.75, maximum 16.22
Coulombic values for 20250624_pseudo3-fold.pdb_s SES surface #2.16: minimum,
-23.16, mean -3.47, maximum 11.73
Coulombic values for 20250624_pseudo3-fold.pdb_t SES surface #2.17: minimum,
-21.19, mean -3.14, maximum 16.05
Coulombic values for 20250624_pseudo3-fold.pdb_u SES surface #2.18: minimum,
-21.80, mean -3.45, maximum 17.71
> show #!1 models
> select subtract #1
18 models selected
> hide #!2 models
> open /old-
> home/euribe/EM/ssip-1/3-fold_pseudo3-fold/20250624_capsomers2-4-5.pdb
Chain information for 20250624_capsomers2-4-5.pdb #3
---
Chain | Description
10 11 12 13 14 15 19 20 21 | No description available
J K L | No description available
M N O S T U | No description available
j k l m n o s t u | No description available
> coulombic #3
The following residues are missing heavy (non-hydrogen) atoms, which may
result in inaccurate electrostatics:
20250624_capsomers2-4-5.pdb #3/J ARG 2
20250624_capsomers2-4-5.pdb #3/J TYR 10
20250624_capsomers2-4-5.pdb #3/J ARG 23
20250624_capsomers2-4-5.pdb #3/J ARG 27
20250624_capsomers2-4-5.pdb #3/J ARG 29
20250624_capsomers2-4-5.pdb #3/J ARG 32
20250624_capsomers2-4-5.pdb #3/J ARG 56
20250624_capsomers2-4-5.pdb #3/J ARG 61
20250624_capsomers2-4-5.pdb #3/J TYR 63
20250624_capsomers2-4-5.pdb #3/J TYR 70
20250624_capsomers2-4-5.pdb #3/J ARG 73
20250624_capsomers2-4-5.pdb #3/J ARG 75
20250624_capsomers2-4-5.pdb #3/J ARG 82
20250624_capsomers2-4-5.pdb #3/J ARG 112
20250624_capsomers2-4-5.pdb #3/J ARG 121
20250624_capsomers2-4-5.pdb #3/J TYR 122
20250624_capsomers2-4-5.pdb #3/J ARG 161
20250624_capsomers2-4-5.pdb #3/J ARG 175
20250624_capsomers2-4-5.pdb #3/J TRP 194
20250624_capsomers2-4-5.pdb #3/K ARG 2
20250624_capsomers2-4-5.pdb #3/K TYR 10
20250624_capsomers2-4-5.pdb #3/K ARG 23
20250624_capsomers2-4-5.pdb #3/K ARG 27
20250624_capsomers2-4-5.pdb #3/K ARG 29
20250624_capsomers2-4-5.pdb #3/K ARG 32
20250624_capsomers2-4-5.pdb #3/K ARG 56
20250624_capsomers2-4-5.pdb #3/K ARG 61
20250624_capsomers2-4-5.pdb #3/K TYR 63
20250624_capsomers2-4-5.pdb #3/K TYR 70
20250624_capsomers2-4-5.pdb #3/K ARG 73
20250624_capsomers2-4-5.pdb #3/K ARG 75
20250624_capsomers2-4-5.pdb #3/K ARG 82
20250624_capsomers2-4-5.pdb #3/K ARG 112
20250624_capsomers2-4-5.pdb #3/K ARG 121
20250624_capsomers2-4-5.pdb #3/K TYR 122
20250624_capsomers2-4-5.pdb #3/K ARG 161
20250624_capsomers2-4-5.pdb #3/K ARG 175
20250624_capsomers2-4-5.pdb #3/K TRP 194
20250624_capsomers2-4-5.pdb #3/L ARG 2
20250624_capsomers2-4-5.pdb #3/L TYR 10
20250624_capsomers2-4-5.pdb #3/L ARG 23
20250624_capsomers2-4-5.pdb #3/L ARG 27
20250624_capsomers2-4-5.pdb #3/L ARG 29
20250624_capsomers2-4-5.pdb #3/L ARG 32
20250624_capsomers2-4-5.pdb #3/L ARG 56
20250624_capsomers2-4-5.pdb #3/L ARG 61
20250624_capsomers2-4-5.pdb #3/L TYR 63
20250624_capsomers2-4-5.pdb #3/L TYR 70
20250624_capsomers2-4-5.pdb #3/L ARG 73
20250624_capsomers2-4-5.pdb #3/L ARG 75
20250624_capsomers2-4-5.pdb #3/L ARG 82
20250624_capsomers2-4-5.pdb #3/L ARG 112
20250624_capsomers2-4-5.pdb #3/L ARG 121
20250624_capsomers2-4-5.pdb #3/L TYR 122
20250624_capsomers2-4-5.pdb #3/L ARG 161
20250624_capsomers2-4-5.pdb #3/L ARG 175
20250624_capsomers2-4-5.pdb #3/L TRP 194
20250624_capsomers2-4-5.pdb #3/M ARG 2
20250624_capsomers2-4-5.pdb #3/M TYR 10
20250624_capsomers2-4-5.pdb #3/M ARG 23
20250624_capsomers2-4-5.pdb #3/M ARG 27
20250624_capsomers2-4-5.pdb #3/M ARG 29
20250624_capsomers2-4-5.pdb #3/M ARG 32
20250624_capsomers2-4-5.pdb #3/M ARG 56
20250624_capsomers2-4-5.pdb #3/M ARG 61
20250624_capsomers2-4-5.pdb #3/M TYR 63
20250624_capsomers2-4-5.pdb #3/M TYR 70
20250624_capsomers2-4-5.pdb #3/M ARG 73
20250624_capsomers2-4-5.pdb #3/M ARG 75
20250624_capsomers2-4-5.pdb #3/M ARG 82
20250624_capsomers2-4-5.pdb #3/M ARG 112
20250624_capsomers2-4-5.pdb #3/M ARG 121
20250624_capsomers2-4-5.pdb #3/M TYR 122
20250624_capsomers2-4-5.pdb #3/M ARG 161
20250624_capsomers2-4-5.pdb #3/M ARG 175
20250624_capsomers2-4-5.pdb #3/M TRP 194
20250624_capsomers2-4-5.pdb #3/N ARG 2
20250624_capsomers2-4-5.pdb #3/N TYR 10
20250624_capsomers2-4-5.pdb #3/N ARG 23
20250624_capsomers2-4-5.pdb #3/N ARG 27
20250624_capsomers2-4-5.pdb #3/N ARG 29
20250624_capsomers2-4-5.pdb #3/N ARG 32
20250624_capsomers2-4-5.pdb #3/N ARG 56
20250624_capsomers2-4-5.pdb #3/N ARG 61
20250624_capsomers2-4-5.pdb #3/N TYR 63
20250624_capsomers2-4-5.pdb #3/N TYR 70
20250624_capsomers2-4-5.pdb #3/N ARG 73
20250624_capsomers2-4-5.pdb #3/N ARG 75
20250624_capsomers2-4-5.pdb #3/N ARG 82
20250624_capsomers2-4-5.pdb #3/N ARG 112
20250624_capsomers2-4-5.pdb #3/N ARG 121
20250624_capsomers2-4-5.pdb #3/N TYR 122
20250624_capsomers2-4-5.pdb #3/N ARG 161
20250624_capsomers2-4-5.pdb #3/N ARG 175
20250624_capsomers2-4-5.pdb #3/N TRP 194
20250624_capsomers2-4-5.pdb #3/O ARG 2
20250624_capsomers2-4-5.pdb #3/O TYR 10
20250624_capsomers2-4-5.pdb #3/O ARG 23
20250624_capsomers2-4-5.pdb #3/O ARG 27
20250624_capsomers2-4-5.pdb #3/O ARG 29
20250624_capsomers2-4-5.pdb #3/O ARG 32
20250624_capsomers2-4-5.pdb #3/O ARG 56
20250624_capsomers2-4-5.pdb #3/O ARG 61
20250624_capsomers2-4-5.pdb #3/O TYR 63
20250624_capsomers2-4-5.pdb #3/O TYR 70
20250624_capsomers2-4-5.pdb #3/O ARG 73
20250624_capsomers2-4-5.pdb #3/O ARG 75
20250624_capsomers2-4-5.pdb #3/O ARG 82
20250624_capsomers2-4-5.pdb #3/O ARG 112
20250624_capsomers2-4-5.pdb #3/O ARG 121
20250624_capsomers2-4-5.pdb #3/O TYR 122
20250624_capsomers2-4-5.pdb #3/O ARG 161
20250624_capsomers2-4-5.pdb #3/O ARG 175
20250624_capsomers2-4-5.pdb #3/O TRP 194
20250624_capsomers2-4-5.pdb #3/S ARG 2
20250624_capsomers2-4-5.pdb #3/S TYR 10
20250624_capsomers2-4-5.pdb #3/S ARG 23
20250624_capsomers2-4-5.pdb #3/S ARG 27
20250624_capsomers2-4-5.pdb #3/S ARG 29
20250624_capsomers2-4-5.pdb #3/S ARG 32
20250624_capsomers2-4-5.pdb #3/S ARG 56
20250624_capsomers2-4-5.pdb #3/S ARG 61
20250624_capsomers2-4-5.pdb #3/S TYR 63
20250624_capsomers2-4-5.pdb #3/S TYR 70
20250624_capsomers2-4-5.pdb #3/S ARG 73
20250624_capsomers2-4-5.pdb #3/S ARG 75
20250624_capsomers2-4-5.pdb #3/S ARG 82
20250624_capsomers2-4-5.pdb #3/S ARG 112
20250624_capsomers2-4-5.pdb #3/S ARG 121
20250624_capsomers2-4-5.pdb #3/S TYR 122
20250624_capsomers2-4-5.pdb #3/S ARG 161
20250624_capsomers2-4-5.pdb #3/S ARG 175
20250624_capsomers2-4-5.pdb #3/S TRP 194
20250624_capsomers2-4-5.pdb #3/T ARG 2
20250624_capsomers2-4-5.pdb #3/T TYR 10
20250624_capsomers2-4-5.pdb #3/T ARG 23
20250624_capsomers2-4-5.pdb #3/T ARG 27
20250624_capsomers2-4-5.pdb #3/T ARG 29
20250624_capsomers2-4-5.pdb #3/T ARG 32
20250624_capsomers2-4-5.pdb #3/T ARG 56
20250624_capsomers2-4-5.pdb #3/T ARG 61
20250624_capsomers2-4-5.pdb #3/T TYR 63
20250624_capsomers2-4-5.pdb #3/T TYR 70
20250624_capsomers2-4-5.pdb #3/T ARG 73
20250624_capsomers2-4-5.pdb #3/T ARG 75
20250624_capsomers2-4-5.pdb #3/T ARG 82
20250624_capsomers2-4-5.pdb #3/T ARG 112
20250624_capsomers2-4-5.pdb #3/T ARG 121
20250624_capsomers2-4-5.pdb #3/T TYR 122
20250624_capsomers2-4-5.pdb #3/T ARG 161
20250624_capsomers2-4-5.pdb #3/T ARG 175
20250624_capsomers2-4-5.pdb #3/T TRP 194
20250624_capsomers2-4-5.pdb #3/U ARG 2
20250624_capsomers2-4-5.pdb #3/U TYR 10
20250624_capsomers2-4-5.pdb #3/U ARG 23
20250624_capsomers2-4-5.pdb #3/U ARG 27
20250624_capsomers2-4-5.pdb #3/U ARG 29
20250624_capsomers2-4-5.pdb #3/U ARG 32
20250624_capsomers2-4-5.pdb #3/U ARG 56
20250624_capsomers2-4-5.pdb #3/U ARG 61
20250624_capsomers2-4-5.pdb #3/U TYR 63
20250624_capsomers2-4-5.pdb #3/U TYR 70
20250624_capsomers2-4-5.pdb #3/U ARG 73
20250624_capsomers2-4-5.pdb #3/U ARG 75
20250624_capsomers2-4-5.pdb #3/U ARG 82
20250624_capsomers2-4-5.pdb #3/U ARG 112
20250624_capsomers2-4-5.pdb #3/U ARG 121
20250624_capsomers2-4-5.pdb #3/U TYR 122
20250624_capsomers2-4-5.pdb #3/U ARG 161
20250624_capsomers2-4-5.pdb #3/U ARG 175
20250624_capsomers2-4-5.pdb #3/U TRP 194
20250624_capsomers2-4-5.pdb #3/j TYR 5
20250624_capsomers2-4-5.pdb #3/j ARG 10
20250624_capsomers2-4-5.pdb #3/j ARG 26
20250624_capsomers2-4-5.pdb #3/j TYR 58
20250624_capsomers2-4-5.pdb #3/j ARG 60
20250624_capsomers2-4-5.pdb #3/j ARG 65
20250624_capsomers2-4-5.pdb #3/j ARG 67
20250624_capsomers2-4-5.pdb #3/j TYR 69
20250624_capsomers2-4-5.pdb #3/j ARG 106
20250624_capsomers2-4-5.pdb #3/j TYR 133
20250624_capsomers2-4-5.pdb #3/j ARG 149
20250624_capsomers2-4-5.pdb #3/j ARG 160
20250624_capsomers2-4-5.pdb #3/j TRP 173
20250624_capsomers2-4-5.pdb #3/j TRP 191
20250624_capsomers2-4-5.pdb #3/j ARG 210
20250624_capsomers2-4-5.pdb #3/k TYR 5
20250624_capsomers2-4-5.pdb #3/k ARG 10
20250624_capsomers2-4-5.pdb #3/k ARG 26
20250624_capsomers2-4-5.pdb #3/k TYR 58
20250624_capsomers2-4-5.pdb #3/k ARG 60
20250624_capsomers2-4-5.pdb #3/k ARG 65
20250624_capsomers2-4-5.pdb #3/k ARG 67
20250624_capsomers2-4-5.pdb #3/k TYR 69
20250624_capsomers2-4-5.pdb #3/k ARG 106
20250624_capsomers2-4-5.pdb #3/k TYR 133
20250624_capsomers2-4-5.pdb #3/k ARG 149
20250624_capsomers2-4-5.pdb #3/k ARG 160
20250624_capsomers2-4-5.pdb #3/k TRP 173
20250624_capsomers2-4-5.pdb #3/k TRP 191
20250624_capsomers2-4-5.pdb #3/k ARG 210
20250624_capsomers2-4-5.pdb #3/l TYR 5
20250624_capsomers2-4-5.pdb #3/l ARG 10
20250624_capsomers2-4-5.pdb #3/l ARG 26
20250624_capsomers2-4-5.pdb #3/l TYR 58
20250624_capsomers2-4-5.pdb #3/l ARG 60
20250624_capsomers2-4-5.pdb #3/l ARG 65
20250624_capsomers2-4-5.pdb #3/l ARG 67
20250624_capsomers2-4-5.pdb #3/l TYR 69
20250624_capsomers2-4-5.pdb #3/l ARG 106
20250624_capsomers2-4-5.pdb #3/l TYR 133
20250624_capsomers2-4-5.pdb #3/l ARG 149
20250624_capsomers2-4-5.pdb #3/l ARG 160
20250624_capsomers2-4-5.pdb #3/l TRP 173
20250624_capsomers2-4-5.pdb #3/l TRP 191
20250624_capsomers2-4-5.pdb #3/l ARG 210
20250624_capsomers2-4-5.pdb #3/m TYR 5
20250624_capsomers2-4-5.pdb #3/m ARG 10
20250624_capsomers2-4-5.pdb #3/m ARG 26
20250624_capsomers2-4-5.pdb #3/m TYR 58
20250624_capsomers2-4-5.pdb #3/m ARG 60
20250624_capsomers2-4-5.pdb #3/m ARG 65
20250624_capsomers2-4-5.pdb #3/m ARG 67
20250624_capsomers2-4-5.pdb #3/m TYR 69
20250624_capsomers2-4-5.pdb #3/m ARG 106
20250624_capsomers2-4-5.pdb #3/m TYR 133
20250624_capsomers2-4-5.pdb #3/m ARG 149
20250624_capsomers2-4-5.pdb #3/m ARG 160
20250624_capsomers2-4-5.pdb #3/m TRP 173
20250624_capsomers2-4-5.pdb #3/m TRP 191
20250624_capsomers2-4-5.pdb #3/m ARG 210
20250624_capsomers2-4-5.pdb #3/n TYR 5
20250624_capsomers2-4-5.pdb #3/n ARG 10
20250624_capsomers2-4-5.pdb #3/n ARG 26
20250624_capsomers2-4-5.pdb #3/n TYR 58
20250624_capsomers2-4-5.pdb #3/n ARG 60
20250624_capsomers2-4-5.pdb #3/n ARG 65
20250624_capsomers2-4-5.pdb #3/n ARG 67
20250624_capsomers2-4-5.pdb #3/n TYR 69
20250624_capsomers2-4-5.pdb #3/n ARG 106
20250624_capsomers2-4-5.pdb #3/n TYR 133
20250624_capsomers2-4-5.pdb #3/n ARG 149
20250624_capsomers2-4-5.pdb #3/n ARG 160
20250624_capsomers2-4-5.pdb #3/n TRP 173
20250624_capsomers2-4-5.pdb #3/n TRP 191
20250624_capsomers2-4-5.pdb #3/n ARG 210
20250624_capsomers2-4-5.pdb #3/o TYR 5
20250624_capsomers2-4-5.pdb #3/o ARG 10
20250624_capsomers2-4-5.pdb #3/o ARG 26
20250624_capsomers2-4-5.pdb #3/o TYR 58
20250624_capsomers2-4-5.pdb #3/o ARG 60
20250624_capsomers2-4-5.pdb #3/o ARG 65
20250624_capsomers2-4-5.pdb #3/o ARG 67
20250624_capsomers2-4-5.pdb #3/o TYR 69
20250624_capsomers2-4-5.pdb #3/o ARG 106
20250624_capsomers2-4-5.pdb #3/o TYR 133
20250624_capsomers2-4-5.pdb #3/o ARG 149
20250624_capsomers2-4-5.pdb #3/o ARG 160
20250624_capsomers2-4-5.pdb #3/o TRP 173
20250624_capsomers2-4-5.pdb #3/o TRP 191
20250624_capsomers2-4-5.pdb #3/o ARG 210
20250624_capsomers2-4-5.pdb #3/s TYR 5
20250624_capsomers2-4-5.pdb #3/s ARG 10
20250624_capsomers2-4-5.pdb #3/s ARG 26
20250624_capsomers2-4-5.pdb #3/s TYR 58
20250624_capsomers2-4-5.pdb #3/s ARG 60
20250624_capsomers2-4-5.pdb #3/s ARG 65
20250624_capsomers2-4-5.pdb #3/s ARG 67
20250624_capsomers2-4-5.pdb #3/s TYR 69
20250624_capsomers2-4-5.pdb #3/s ARG 106
20250624_capsomers2-4-5.pdb #3/s TYR 133
20250624_capsomers2-4-5.pdb #3/s ARG 149
20250624_capsomers2-4-5.pdb #3/s ARG 160
20250624_capsomers2-4-5.pdb #3/s TRP 173
20250624_capsomers2-4-5.pdb #3/s TRP 191
20250624_capsomers2-4-5.pdb #3/s ARG 210
20250624_capsomers2-4-5.pdb #3/t TYR 5
20250624_capsomers2-4-5.pdb #3/t ARG 10
20250624_capsomers2-4-5.pdb #3/t ARG 26
20250624_capsomers2-4-5.pdb #3/t TYR 58
20250624_capsomers2-4-5.pdb #3/t ARG 60
20250624_capsomers2-4-5.pdb #3/t ARG 65
20250624_capsomers2-4-5.pdb #3/t ARG 67
20250624_capsomers2-4-5.pdb #3/t TYR 69
20250624_capsomers2-4-5.pdb #3/t ARG 106
20250624_capsomers2-4-5.pdb #3/t TYR 133
20250624_capsomers2-4-5.pdb #3/t ARG 149
20250624_capsomers2-4-5.pdb #3/t ARG 160
20250624_capsomers2-4-5.pdb #3/t TRP 173
20250624_capsomers2-4-5.pdb #3/t TRP 191
20250624_capsomers2-4-5.pdb #3/t ARG 210
20250624_capsomers2-4-5.pdb #3/u TYR 5
20250624_capsomers2-4-5.pdb #3/u ARG 10
20250624_capsomers2-4-5.pdb #3/u ARG 26
20250624_capsomers2-4-5.pdb #3/u TYR 58
20250624_capsomers2-4-5.pdb #3/u ARG 60
20250624_capsomers2-4-5.pdb #3/u ARG 65
20250624_capsomers2-4-5.pdb #3/u ARG 67
20250624_capsomers2-4-5.pdb #3/u TYR 69
20250624_capsomers2-4-5.pdb #3/u ARG 106
20250624_capsomers2-4-5.pdb #3/u TYR 133
20250624_capsomers2-4-5.pdb #3/u ARG 149
20250624_capsomers2-4-5.pdb #3/u ARG 160
20250624_capsomers2-4-5.pdb #3/u TRP 173
20250624_capsomers2-4-5.pdb #3/u TRP 191
20250624_capsomers2-4-5.pdb #3/u ARG 210
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for 20250624_capsomers2-4-5.pdb_10 SES surface #3.1: minimum,
-4.66, mean 0.94, maximum 10.05
Coulombic values for 20250624_capsomers2-4-5.pdb_11 SES surface #3.2: minimum,
-4.83, mean 1.04, maximum 10.04
Coulombic values for 20250624_capsomers2-4-5.pdb_12 SES surface #3.3: minimum,
-5.33, mean 0.95, maximum 9.52
Coulombic values for 20250624_capsomers2-4-5.pdb_13 SES surface #3.4: minimum,
-5.09, mean 1.04, maximum 9.89
Coulombic values for 20250624_capsomers2-4-5.pdb_14 SES surface #3.5: minimum,
-4.65, mean 0.90, maximum 9.47
Coulombic values for 20250624_capsomers2-4-5.pdb_15 SES surface #3.6: minimum,
-4.17, mean 1.04, maximum 9.76
Coulombic values for 20250624_capsomers2-4-5.pdb_19 SES surface #3.7: minimum,
-5.29, mean 0.92, maximum 9.64
Coulombic values for 20250624_capsomers2-4-5.pdb_20 SES surface #3.8: minimum,
-4.87, mean 0.92, maximum 9.62
Coulombic values for 20250624_capsomers2-4-5.pdb_21 SES surface #3.9: minimum,
-5.00, mean 0.94, maximum 9.80
Coulombic values for 20250624_capsomers2-4-5.pdb_J SES surface #3.10: minimum,
-17.31, mean 0.67, maximum 16.08
Coulombic values for 20250624_capsomers2-4-5.pdb_K SES surface #3.11: minimum,
-16.84, mean 0.45, maximum 24.10
Coulombic values for 20250624_capsomers2-4-5.pdb_L SES surface #3.12: minimum,
-16.24, mean 0.67, maximum 16.34
Coulombic values for 20250624_capsomers2-4-5.pdb_M SES surface #3.13: minimum,
-24.20, mean 0.02, maximum 16.55
Coulombic values for 20250624_capsomers2-4-5.pdb_N SES surface #3.14: minimum,
-17.75, mean 0.07, maximum 17.22
Coulombic values for 20250624_capsomers2-4-5.pdb_O SES surface #3.15: minimum,
-17.49, mean 0.34, maximum 16.52
Coulombic values for 20250624_capsomers2-4-5.pdb_S SES surface #3.16: minimum,
-16.82, mean 0.29, maximum 15.48
Coulombic values for 20250624_capsomers2-4-5.pdb_T SES surface #3.17: minimum,
-16.35, mean 0.41, maximum 16.10
Coulombic values for 20250624_capsomers2-4-5.pdb_U SES surface #3.18: minimum,
-17.32, mean 0.11, maximum 16.58
Coulombic values for 20250624_capsomers2-4-5.pdb_j SES surface #3.19: minimum,
-21.20, mean -3.44, maximum 20.06
Coulombic values for 20250624_capsomers2-4-5.pdb_k SES surface #3.20: minimum,
-22.87, mean -3.53, maximum 14.65
Coulombic values for 20250624_capsomers2-4-5.pdb_l SES surface #3.21: minimum,
-27.71, mean -3.23, maximum 16.88
Coulombic values for 20250624_capsomers2-4-5.pdb_m SES surface #3.22: minimum,
-19.47, mean -3.47, maximum 18.67
Coulombic values for 20250624_capsomers2-4-5.pdb_n SES surface #3.23: minimum,
-30.90, mean -3.27, maximum 17.94
Coulombic values for 20250624_capsomers2-4-5.pdb_o SES surface #3.24: minimum,
-19.92, mean -3.31, maximum 10.95
Coulombic values for 20250624_capsomers2-4-5.pdb_s SES surface #3.25: minimum,
-23.16, mean -3.47, maximum 11.73
Coulombic values for 20250624_capsomers2-4-5.pdb_t SES surface #3.26: minimum,
-21.19, mean -3.14, maximum 16.05
Coulombic values for 20250624_capsomers2-4-5.pdb_u SES surface #3.27: minimum,
-21.80, mean -3.45, maximum 17.71
> close #3
> open /old-
> home/euribe/EM/ssip-1/3-fold_pseudo3-fold/20250624_capsomers2-4-5.pdb
Chain information for 20250624_capsomers2-4-5.pdb #3
---
Chain | Description
J K L | No description available
M N O S T U | No description available
j k l m n o s t u | No description available
> coulombic #3
The following residues are missing heavy (non-hydrogen) atoms, which may
result in inaccurate electrostatics:
20250624_capsomers2-4-5.pdb #3/J ARG 2
20250624_capsomers2-4-5.pdb #3/J TYR 10
20250624_capsomers2-4-5.pdb #3/J ARG 23
20250624_capsomers2-4-5.pdb #3/J ARG 27
20250624_capsomers2-4-5.pdb #3/J ARG 29
20250624_capsomers2-4-5.pdb #3/J ARG 32
20250624_capsomers2-4-5.pdb #3/J ARG 56
20250624_capsomers2-4-5.pdb #3/J ARG 61
20250624_capsomers2-4-5.pdb #3/J TYR 63
20250624_capsomers2-4-5.pdb #3/J TYR 70
20250624_capsomers2-4-5.pdb #3/J ARG 73
20250624_capsomers2-4-5.pdb #3/J ARG 75
20250624_capsomers2-4-5.pdb #3/J ARG 82
20250624_capsomers2-4-5.pdb #3/J ARG 112
20250624_capsomers2-4-5.pdb #3/J ARG 121
20250624_capsomers2-4-5.pdb #3/J TYR 122
20250624_capsomers2-4-5.pdb #3/J ARG 161
20250624_capsomers2-4-5.pdb #3/J ARG 175
20250624_capsomers2-4-5.pdb #3/J TRP 194
20250624_capsomers2-4-5.pdb #3/K ARG 2
20250624_capsomers2-4-5.pdb #3/K TYR 10
20250624_capsomers2-4-5.pdb #3/K ARG 23
20250624_capsomers2-4-5.pdb #3/K ARG 27
20250624_capsomers2-4-5.pdb #3/K ARG 29
20250624_capsomers2-4-5.pdb #3/K ARG 32
20250624_capsomers2-4-5.pdb #3/K ARG 56
20250624_capsomers2-4-5.pdb #3/K ARG 61
20250624_capsomers2-4-5.pdb #3/K TYR 63
20250624_capsomers2-4-5.pdb #3/K TYR 70
20250624_capsomers2-4-5.pdb #3/K ARG 73
20250624_capsomers2-4-5.pdb #3/K ARG 75
20250624_capsomers2-4-5.pdb #3/K ARG 82
20250624_capsomers2-4-5.pdb #3/K ARG 112
20250624_capsomers2-4-5.pdb #3/K ARG 121
20250624_capsomers2-4-5.pdb #3/K TYR 122
20250624_capsomers2-4-5.pdb #3/K ARG 161
20250624_capsomers2-4-5.pdb #3/K ARG 175
20250624_capsomers2-4-5.pdb #3/K TRP 194
20250624_capsomers2-4-5.pdb #3/L ARG 2
20250624_capsomers2-4-5.pdb #3/L TYR 10
20250624_capsomers2-4-5.pdb #3/L ARG 23
20250624_capsomers2-4-5.pdb #3/L ARG 27
20250624_capsomers2-4-5.pdb #3/L ARG 29
20250624_capsomers2-4-5.pdb #3/L ARG 32
20250624_capsomers2-4-5.pdb #3/L ARG 56
20250624_capsomers2-4-5.pdb #3/L ARG 61
20250624_capsomers2-4-5.pdb #3/L TYR 63
20250624_capsomers2-4-5.pdb #3/L TYR 70
20250624_capsomers2-4-5.pdb #3/L ARG 73
20250624_capsomers2-4-5.pdb #3/L ARG 75
20250624_capsomers2-4-5.pdb #3/L ARG 82
20250624_capsomers2-4-5.pdb #3/L ARG 112
20250624_capsomers2-4-5.pdb #3/L ARG 121
20250624_capsomers2-4-5.pdb #3/L TYR 122
20250624_capsomers2-4-5.pdb #3/L ARG 161
20250624_capsomers2-4-5.pdb #3/L ARG 175
20250624_capsomers2-4-5.pdb #3/L TRP 194
20250624_capsomers2-4-5.pdb #3/M ARG 2
20250624_capsomers2-4-5.pdb #3/M TYR 10
20250624_capsomers2-4-5.pdb #3/M ARG 23
20250624_capsomers2-4-5.pdb #3/M ARG 27
20250624_capsomers2-4-5.pdb #3/M ARG 29
20250624_capsomers2-4-5.pdb #3/M ARG 32
20250624_capsomers2-4-5.pdb #3/M ARG 56
20250624_capsomers2-4-5.pdb #3/M ARG 61
20250624_capsomers2-4-5.pdb #3/M TYR 63
20250624_capsomers2-4-5.pdb #3/M TYR 70
20250624_capsomers2-4-5.pdb #3/M ARG 73
20250624_capsomers2-4-5.pdb #3/M ARG 75
20250624_capsomers2-4-5.pdb #3/M ARG 82
20250624_capsomers2-4-5.pdb #3/M ARG 112
20250624_capsomers2-4-5.pdb #3/M ARG 121
20250624_capsomers2-4-5.pdb #3/M TYR 122
20250624_capsomers2-4-5.pdb #3/M ARG 161
20250624_capsomers2-4-5.pdb #3/M ARG 175
20250624_capsomers2-4-5.pdb #3/M TRP 194
20250624_capsomers2-4-5.pdb #3/N ARG 2
20250624_capsomers2-4-5.pdb #3/N TYR 10
20250624_capsomers2-4-5.pdb #3/N ARG 23
20250624_capsomers2-4-5.pdb #3/N ARG 27
20250624_capsomers2-4-5.pdb #3/N ARG 29
20250624_capsomers2-4-5.pdb #3/N ARG 32
20250624_capsomers2-4-5.pdb #3/N ARG 56
20250624_capsomers2-4-5.pdb #3/N ARG 61
20250624_capsomers2-4-5.pdb #3/N TYR 63
20250624_capsomers2-4-5.pdb #3/N TYR 70
20250624_capsomers2-4-5.pdb #3/N ARG 73
20250624_capsomers2-4-5.pdb #3/N ARG 75
20250624_capsomers2-4-5.pdb #3/N ARG 82
20250624_capsomers2-4-5.pdb #3/N ARG 112
20250624_capsomers2-4-5.pdb #3/N ARG 121
20250624_capsomers2-4-5.pdb #3/N TYR 122
20250624_capsomers2-4-5.pdb #3/N ARG 161
20250624_capsomers2-4-5.pdb #3/N ARG 175
20250624_capsomers2-4-5.pdb #3/N TRP 194
20250624_capsomers2-4-5.pdb #3/O ARG 2
20250624_capsomers2-4-5.pdb #3/O TYR 10
20250624_capsomers2-4-5.pdb #3/O ARG 23
20250624_capsomers2-4-5.pdb #3/O ARG 27
20250624_capsomers2-4-5.pdb #3/O ARG 29
20250624_capsomers2-4-5.pdb #3/O ARG 32
20250624_capsomers2-4-5.pdb #3/O ARG 56
20250624_capsomers2-4-5.pdb #3/O ARG 61
20250624_capsomers2-4-5.pdb #3/O TYR 63
20250624_capsomers2-4-5.pdb #3/O TYR 70
20250624_capsomers2-4-5.pdb #3/O ARG 73
20250624_capsomers2-4-5.pdb #3/O ARG 75
20250624_capsomers2-4-5.pdb #3/O ARG 82
20250624_capsomers2-4-5.pdb #3/O ARG 112
20250624_capsomers2-4-5.pdb #3/O ARG 121
20250624_capsomers2-4-5.pdb #3/O TYR 122
20250624_capsomers2-4-5.pdb #3/O ARG 161
20250624_capsomers2-4-5.pdb #3/O ARG 175
20250624_capsomers2-4-5.pdb #3/O TRP 194
20250624_capsomers2-4-5.pdb #3/S ARG 2
20250624_capsomers2-4-5.pdb #3/S TYR 10
20250624_capsomers2-4-5.pdb #3/S ARG 23
20250624_capsomers2-4-5.pdb #3/S ARG 27
20250624_capsomers2-4-5.pdb #3/S ARG 29
20250624_capsomers2-4-5.pdb #3/S ARG 32
20250624_capsomers2-4-5.pdb #3/S ARG 56
20250624_capsomers2-4-5.pdb #3/S ARG 61
20250624_capsomers2-4-5.pdb #3/S TYR 63
20250624_capsomers2-4-5.pdb #3/S TYR 70
20250624_capsomers2-4-5.pdb #3/S ARG 73
20250624_capsomers2-4-5.pdb #3/S ARG 75
20250624_capsomers2-4-5.pdb #3/S ARG 82
20250624_capsomers2-4-5.pdb #3/S ARG 112
20250624_capsomers2-4-5.pdb #3/S ARG 121
20250624_capsomers2-4-5.pdb #3/S TYR 122
20250624_capsomers2-4-5.pdb #3/S ARG 161
20250624_capsomers2-4-5.pdb #3/S ARG 175
20250624_capsomers2-4-5.pdb #3/S TRP 194
20250624_capsomers2-4-5.pdb #3/T ARG 2
20250624_capsomers2-4-5.pdb #3/T TYR 10
20250624_capsomers2-4-5.pdb #3/T ARG 23
20250624_capsomers2-4-5.pdb #3/T ARG 27
20250624_capsomers2-4-5.pdb #3/T ARG 29
20250624_capsomers2-4-5.pdb #3/T ARG 32
20250624_capsomers2-4-5.pdb #3/T ARG 56
20250624_capsomers2-4-5.pdb #3/T ARG 61
20250624_capsomers2-4-5.pdb #3/T TYR 63
20250624_capsomers2-4-5.pdb #3/T TYR 70
20250624_capsomers2-4-5.pdb #3/T ARG 73
20250624_capsomers2-4-5.pdb #3/T ARG 75
20250624_capsomers2-4-5.pdb #3/T ARG 82
20250624_capsomers2-4-5.pdb #3/T ARG 112
20250624_capsomers2-4-5.pdb #3/T ARG 121
20250624_capsomers2-4-5.pdb #3/T TYR 122
20250624_capsomers2-4-5.pdb #3/T ARG 161
20250624_capsomers2-4-5.pdb #3/T ARG 175
20250624_capsomers2-4-5.pdb #3/T TRP 194
20250624_capsomers2-4-5.pdb #3/U ARG 2
20250624_capsomers2-4-5.pdb #3/U TYR 10
20250624_capsomers2-4-5.pdb #3/U ARG 23
20250624_capsomers2-4-5.pdb #3/U ARG 27
20250624_capsomers2-4-5.pdb #3/U ARG 29
20250624_capsomers2-4-5.pdb #3/U ARG 32
20250624_capsomers2-4-5.pdb #3/U ARG 56
20250624_capsomers2-4-5.pdb #3/U ARG 61
20250624_capsomers2-4-5.pdb #3/U TYR 63
20250624_capsomers2-4-5.pdb #3/U TYR 70
20250624_capsomers2-4-5.pdb #3/U ARG 73
20250624_capsomers2-4-5.pdb #3/U ARG 75
20250624_capsomers2-4-5.pdb #3/U ARG 82
20250624_capsomers2-4-5.pdb #3/U ARG 112
20250624_capsomers2-4-5.pdb #3/U ARG 121
20250624_capsomers2-4-5.pdb #3/U TYR 122
20250624_capsomers2-4-5.pdb #3/U ARG 161
20250624_capsomers2-4-5.pdb #3/U ARG 175
20250624_capsomers2-4-5.pdb #3/U TRP 194
20250624_capsomers2-4-5.pdb #3/j TYR 5
20250624_capsomers2-4-5.pdb #3/j ARG 10
20250624_capsomers2-4-5.pdb #3/j ARG 26
20250624_capsomers2-4-5.pdb #3/j TYR 58
20250624_capsomers2-4-5.pdb #3/j ARG 60
20250624_capsomers2-4-5.pdb #3/j ARG 65
20250624_capsomers2-4-5.pdb #3/j ARG 67
20250624_capsomers2-4-5.pdb #3/j TYR 69
20250624_capsomers2-4-5.pdb #3/j ARG 106
20250624_capsomers2-4-5.pdb #3/j TYR 133
20250624_capsomers2-4-5.pdb #3/j ARG 149
20250624_capsomers2-4-5.pdb #3/j ARG 160
20250624_capsomers2-4-5.pdb #3/j TRP 173
20250624_capsomers2-4-5.pdb #3/j TRP 191
20250624_capsomers2-4-5.pdb #3/j ARG 210
20250624_capsomers2-4-5.pdb #3/k TYR 5
20250624_capsomers2-4-5.pdb #3/k ARG 10
20250624_capsomers2-4-5.pdb #3/k ARG 26
20250624_capsomers2-4-5.pdb #3/k TYR 58
20250624_capsomers2-4-5.pdb #3/k ARG 60
20250624_capsomers2-4-5.pdb #3/k ARG 65
20250624_capsomers2-4-5.pdb #3/k ARG 67
20250624_capsomers2-4-5.pdb #3/k TYR 69
20250624_capsomers2-4-5.pdb #3/k ARG 106
20250624_capsomers2-4-5.pdb #3/k TYR 133
20250624_capsomers2-4-5.pdb #3/k ARG 149
20250624_capsomers2-4-5.pdb #3/k ARG 160
20250624_capsomers2-4-5.pdb #3/k TRP 173
20250624_capsomers2-4-5.pdb #3/k TRP 191
20250624_capsomers2-4-5.pdb #3/k ARG 210
20250624_capsomers2-4-5.pdb #3/l TYR 5
20250624_capsomers2-4-5.pdb #3/l ARG 10
20250624_capsomers2-4-5.pdb #3/l ARG 26
20250624_capsomers2-4-5.pdb #3/l TYR 58
20250624_capsomers2-4-5.pdb #3/l ARG 60
20250624_capsomers2-4-5.pdb #3/l ARG 65
20250624_capsomers2-4-5.pdb #3/l ARG 67
20250624_capsomers2-4-5.pdb #3/l TYR 69
20250624_capsomers2-4-5.pdb #3/l ARG 106
20250624_capsomers2-4-5.pdb #3/l TYR 133
20250624_capsomers2-4-5.pdb #3/l ARG 149
20250624_capsomers2-4-5.pdb #3/l ARG 160
20250624_capsomers2-4-5.pdb #3/l TRP 173
20250624_capsomers2-4-5.pdb #3/l TRP 191
20250624_capsomers2-4-5.pdb #3/l ARG 210
20250624_capsomers2-4-5.pdb #3/m TYR 5
20250624_capsomers2-4-5.pdb #3/m ARG 10
20250624_capsomers2-4-5.pdb #3/m ARG 26
20250624_capsomers2-4-5.pdb #3/m TYR 58
20250624_capsomers2-4-5.pdb #3/m ARG 60
20250624_capsomers2-4-5.pdb #3/m ARG 65
20250624_capsomers2-4-5.pdb #3/m ARG 67
20250624_capsomers2-4-5.pdb #3/m TYR 69
20250624_capsomers2-4-5.pdb #3/m ARG 106
20250624_capsomers2-4-5.pdb #3/m TYR 133
20250624_capsomers2-4-5.pdb #3/m ARG 149
20250624_capsomers2-4-5.pdb #3/m ARG 160
20250624_capsomers2-4-5.pdb #3/m TRP 173
20250624_capsomers2-4-5.pdb #3/m TRP 191
20250624_capsomers2-4-5.pdb #3/m ARG 210
20250624_capsomers2-4-5.pdb #3/n TYR 5
20250624_capsomers2-4-5.pdb #3/n ARG 10
20250624_capsomers2-4-5.pdb #3/n ARG 26
20250624_capsomers2-4-5.pdb #3/n TYR 58
20250624_capsomers2-4-5.pdb #3/n ARG 60
20250624_capsomers2-4-5.pdb #3/n ARG 65
20250624_capsomers2-4-5.pdb #3/n ARG 67
20250624_capsomers2-4-5.pdb #3/n TYR 69
20250624_capsomers2-4-5.pdb #3/n ARG 106
20250624_capsomers2-4-5.pdb #3/n TYR 133
20250624_capsomers2-4-5.pdb #3/n ARG 149
20250624_capsomers2-4-5.pdb #3/n ARG 160
20250624_capsomers2-4-5.pdb #3/n TRP 173
20250624_capsomers2-4-5.pdb #3/n TRP 191
20250624_capsomers2-4-5.pdb #3/n ARG 210
20250624_capsomers2-4-5.pdb #3/o TYR 5
20250624_capsomers2-4-5.pdb #3/o ARG 10
20250624_capsomers2-4-5.pdb #3/o ARG 26
20250624_capsomers2-4-5.pdb #3/o TYR 58
20250624_capsomers2-4-5.pdb #3/o ARG 60
20250624_capsomers2-4-5.pdb #3/o ARG 65
20250624_capsomers2-4-5.pdb #3/o ARG 67
20250624_capsomers2-4-5.pdb #3/o TYR 69
20250624_capsomers2-4-5.pdb #3/o ARG 106
20250624_capsomers2-4-5.pdb #3/o TYR 133
20250624_capsomers2-4-5.pdb #3/o ARG 149
20250624_capsomers2-4-5.pdb #3/o ARG 160
20250624_capsomers2-4-5.pdb #3/o TRP 173
20250624_capsomers2-4-5.pdb #3/o TRP 191
20250624_capsomers2-4-5.pdb #3/o ARG 210
20250624_capsomers2-4-5.pdb #3/s TYR 5
20250624_capsomers2-4-5.pdb #3/s ARG 10
20250624_capsomers2-4-5.pdb #3/s ARG 26
20250624_capsomers2-4-5.pdb #3/s TYR 58
20250624_capsomers2-4-5.pdb #3/s ARG 60
20250624_capsomers2-4-5.pdb #3/s ARG 65
20250624_capsomers2-4-5.pdb #3/s ARG 67
20250624_capsomers2-4-5.pdb #3/s TYR 69
20250624_capsomers2-4-5.pdb #3/s ARG 106
20250624_capsomers2-4-5.pdb #3/s TYR 133
20250624_capsomers2-4-5.pdb #3/s ARG 149
20250624_capsomers2-4-5.pdb #3/s ARG 160
20250624_capsomers2-4-5.pdb #3/s TRP 173
20250624_capsomers2-4-5.pdb #3/s TRP 191
20250624_capsomers2-4-5.pdb #3/s ARG 210
20250624_capsomers2-4-5.pdb #3/t TYR 5
20250624_capsomers2-4-5.pdb #3/t ARG 10
20250624_capsomers2-4-5.pdb #3/t ARG 26
20250624_capsomers2-4-5.pdb #3/t TYR 58
20250624_capsomers2-4-5.pdb #3/t ARG 60
20250624_capsomers2-4-5.pdb #3/t ARG 65
20250624_capsomers2-4-5.pdb #3/t ARG 67
20250624_capsomers2-4-5.pdb #3/t TYR 69
20250624_capsomers2-4-5.pdb #3/t ARG 106
20250624_capsomers2-4-5.pdb #3/t TYR 133
20250624_capsomers2-4-5.pdb #3/t ARG 149
20250624_capsomers2-4-5.pdb #3/t ARG 160
20250624_capsomers2-4-5.pdb #3/t TRP 173
20250624_capsomers2-4-5.pdb #3/t TRP 191
20250624_capsomers2-4-5.pdb #3/t ARG 210
20250624_capsomers2-4-5.pdb #3/u TYR 5
20250624_capsomers2-4-5.pdb #3/u ARG 10
20250624_capsomers2-4-5.pdb #3/u ARG 26
20250624_capsomers2-4-5.pdb #3/u TYR 58
20250624_capsomers2-4-5.pdb #3/u ARG 60
20250624_capsomers2-4-5.pdb #3/u ARG 65
20250624_capsomers2-4-5.pdb #3/u ARG 67
20250624_capsomers2-4-5.pdb #3/u TYR 69
20250624_capsomers2-4-5.pdb #3/u ARG 106
20250624_capsomers2-4-5.pdb #3/u TYR 133
20250624_capsomers2-4-5.pdb #3/u ARG 149
20250624_capsomers2-4-5.pdb #3/u ARG 160
20250624_capsomers2-4-5.pdb #3/u TRP 173
20250624_capsomers2-4-5.pdb #3/u TRP 191
20250624_capsomers2-4-5.pdb #3/u ARG 210
===== Log before crash end =====
Log:
Startup Messages
---
note | available bundle cache has not been initialized yet
UCSF ChimeraX version: 1.7.1 (2024-01-23)
© 2016-2023 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
OpenGL version: 3.3.0 NVIDIA 575.57.08
OpenGL renderer: NVIDIA T400 4GB/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Python: 3.11.2
Locale: en_US.UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: xcb
XDG_SESSION_TYPE=x11
DESKTOP_SESSION=gnome
XDG_SESSION_DESKTOP=gnome
XDG_CURRENT_DESKTOP=GNOME
DISPLAY=:1
Manufacturer: HP
Model: HP Z4 G5 Workstation Desktop PC
OS: Rocky Linux 9.6 Blue Onyx
Architecture: 64bit ELF
Virtual Machine: none
CPU: 12 Intel(R) Xeon(R) w3-2425
Cache Size: 15360 KB
Memory:
total used free shared buff/cache available
Mem: 124Gi 19Gi 89Gi 368Mi 17Gi 105Gi
Swap: 2.0Gi 0B 2.0Gi
Graphics:
47:00.0 VGA compatible controller [0300]: NVIDIA Corporation TU117GL [T400 4GB / T400E] [10de:1ff2] (rev a1)
Subsystem: Hewlett-Packard Company Device [103c:1613]
Kernel driver in use: nvidia
Installed Packages:
alabaster: 0.7.16
appdirs: 1.4.4
asttokens: 2.4.1
Babel: 2.14.0
backcall: 0.2.0
beautifulsoup4: 4.11.2
blockdiag: 3.0.0
blosc2: 2.0.0
build: 0.10.0
certifi: 2023.11.17
cftime: 1.6.3
charset-normalizer: 3.3.2
ChimeraX-AddCharge: 1.5.13
ChimeraX-AddH: 2.2.5
ChimeraX-AlignmentAlgorithms: 2.0.1
ChimeraX-AlignmentHdrs: 3.4.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.12.2
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.1.1
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.49.1
ChimeraX-AtomicLibrary: 12.1.5
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.3.2
ChimeraX-BasicActions: 1.1.2
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.1.2
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.1
ChimeraX-BuildStructure: 2.10.5
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.2.2
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.3.2
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.3.2
ChimeraX-ChemGroup: 2.0.1
ChimeraX-Clashes: 2.2.4
ChimeraX-ColorActions: 1.0.3
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.5
ChimeraX-CommandLine: 1.2.5
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.7.1
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.2
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.3
ChimeraX-Dicom: 1.2
ChimeraX-DistMonitor: 1.4
ChimeraX-DockPrep: 1.1.3
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.1.1
ChimeraX-Hbonds: 2.4
ChimeraX-Help: 1.2.2
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.1
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-Label: 1.1.8
ChimeraX-LinuxSupport: 1.0.1
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.1.6
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
ChimeraX-Map: 1.1.4
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchMaker: 2.1.2
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.6.1
ChimeraX-MedicalToolbar: 1.0.2
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.12.1
ChimeraX-MMTF: 2.2
ChimeraX-Modeller: 1.5.14
ChimeraX-ModelPanel: 1.4
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.1
ChimeraX-NRRD: 1.1
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.13.1
ChimeraX-PDB: 2.7.3
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.4
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1
ChimeraX-PubChem: 2.1
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.1
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.2
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.2
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.11
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.1.1
ChimeraX-ShowSequences: 1.0.2
ChimeraX-SideView: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.12.4
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.1.2
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.2.2
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.1.2
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.33.3
ChimeraX-uniprot: 2.3
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.3.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.3
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.2.1
contourpy: 1.2.0
cxservices: 1.2.2
cycler: 0.12.1
Cython: 0.29.33
debugpy: 1.8.0
decorator: 5.1.1
distro: 1.7.0
docutils: 0.19
executing: 2.0.1
filelock: 3.9.0
fonttools: 4.47.2
funcparserlib: 2.0.0a0
glfw: 2.6.4
grako: 3.16.5
h5py: 3.10.0
html2text: 2020.1.16
idna: 3.6
ihm: 0.38
imagecodecs: 2023.9.18
imagesize: 1.4.1
ipykernel: 6.23.2
ipython: 8.14.0
ipython-genutils: 0.2.0
ipywidgets: 8.1.1
jedi: 0.18.2
Jinja2: 3.1.2
jupyter-client: 8.2.0
jupyter-core: 5.7.1
jupyterlab-widgets: 3.0.9
kiwisolver: 1.4.5
line-profiler: 4.0.2
lxml: 4.9.2
lz4: 4.3.2
MarkupSafe: 2.1.4
matplotlib: 3.7.2
matplotlib-inline: 0.1.6
msgpack: 1.0.4
nest-asyncio: 1.6.0
netCDF4: 1.6.2
networkx: 3.1
nibabel: 5.0.1
nptyping: 2.5.0
numexpr: 2.8.8
numpy: 1.25.1
openvr: 1.23.701
packaging: 23.2
ParmEd: 3.4.3
parso: 0.8.3
pep517: 0.13.0
pexpect: 4.9.0
pickleshare: 0.7.5
pillow: 10.2.0
pip: 23.0
pkginfo: 1.9.6
platformdirs: 4.1.0
prompt-toolkit: 3.0.43
psutil: 5.9.5
ptyprocess: 0.7.0
pure-eval: 0.2.2
py-cpuinfo: 9.0.0
pycollada: 0.7.2
pydicom: 2.3.0
Pygments: 2.16.1
pynrrd: 1.0.0
PyOpenGL: 3.1.7
PyOpenGL-accelerate: 3.1.7
pyopenxr: 1.0.2801
pyparsing: 3.0.9
pyproject-hooks: 1.0.0
PyQt6-commercial: 6.3.1
PyQt6-Qt6: 6.3.2
PyQt6-sip: 13.4.0
PyQt6-WebEngine-commercial: 6.3.1
PyQt6-WebEngine-Qt6: 6.3.2
python-dateutil: 2.8.2
pytz: 2023.3.post1
pyzmq: 25.1.2
qtconsole: 5.4.3
QtPy: 2.4.1
RandomWords: 0.4.0
requests: 2.31.0
scipy: 1.11.1
setuptools: 67.4.0
sfftk-rw: 0.7.3
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.5
sphinx: 6.1.3
sphinx-autodoc-typehints: 1.22
sphinxcontrib-applehelp: 1.0.8
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 1.0.6
sphinxcontrib-htmlhelp: 2.0.5
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.7
sphinxcontrib-serializinghtml: 1.1.10
stack-data: 0.6.3
superqt: 0.5.0
tables: 3.8.0
tcia-utils: 1.5.1
tifffile: 2023.7.18
tinyarray: 1.2.4
tomli: 2.0.1
tornado: 6.4
traitlets: 5.9.0
typing-extensions: 4.9.0
tzdata: 2023.4
urllib3: 2.1.0
wcwidth: 0.2.13
webcolors: 1.12
wheel: 0.38.4
wheel-filename: 1.4.1
widgetsnbextension: 4.0.9
Change History (2)
comment:1 by , 4 months ago
| Component: | Unassigned → Core |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Crash in garbage collection |
comment:2 by , 4 months ago
| Resolution: | → duplicate |
|---|---|
| Status: | accepted → closed |
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