id summary reporter owner description type status priority milestone component version resolution keywords cc blockedby blocking notify_on_close platform project 14716 Crash in garbage collection chimerax-bug-report@… Eric Pettersen "{{{ The following bug report has been submitted: Platform: macOS-14.3.1-x86_64-i386-64bit 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 0x0000000316009000 (most recent call first): File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 324 in wait File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 622 in wait File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1392 in run File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap Current thread 0x0000000202739240 (most recent call first): Garbage-collecting File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/contextlib.py"", line 155 in __exit__ File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 665 in _option File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/contextlib.py"", line 155 in __exit__ File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/_atomspec.py"", line 567 in _zone_operator_ File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 497 in _invoke_rule File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 458 in _call File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 59 in wrapper File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/_atomspec.py"", line 561 in _zone_selector_ File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 497 in _invoke_rule File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 458 in _call File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 59 in wrapper File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/_atomspec.py"", line 203 in _model_ File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 497 in _invoke_rule File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 458 in _call File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 59 in wrapper File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/_atomspec.py"", line 157 in block0 File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 787 in _positive_closure File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/_atomspec.py"", line 159 in _model_list_ File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 497 in _invoke_rule File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 458 in _call File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 59 in wrapper File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/_atomspec.py"", line 136 in _as_term_ File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 497 in _invoke_rule File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 458 in _call File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 59 in wrapper File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/_atomspec.py"", line 89 in _atom_specifier_ File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 497 in _invoke_rule File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 458 in _call File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 59 in wrapper File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/_atomspec.py"", line 93 in _atom_specifier_ File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 497 in _invoke_rule File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 458 in _call File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 59 in wrapper File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/grako/contexts.py"", line 206 in parse File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py"", line 192 in _parse_unquoted File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py"", line 121 in parse File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/std_commands/defattr.py"", line 180 in defattr File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/add_charge/charge.py"", line 81 in add_standard_charges File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/add_charge/charge.py"", line 34 in add_charges File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/coulombic/coulombic.py"", line 110 in assign_charges File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/coulombic/cmd.py"", line 99 in cmd_coulombic File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py"", line 2908 in run File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/cmd_line/tool.py"", line 319 in execute File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/cmd_line/tool.py"", line 146 in keyPressEvent File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 275 in event_loop File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 918 in init File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/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.map._map, chimerax.surface._surface, chimerax.pdb_lib._load_libs, 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, lxml._elementpath, lxml.etree, chimerax.core._mac_util, 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, chimerax.atom_search.ast, chimerax.chem_group._chem_group, chimerax.mlp._mlp, chimerax.coulombic._esp (total: 59) {""app_name"":""ChimeraX"",""timestamp"":""2024-03-06 14:28:33.00 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""04a803699b8a4d82428ee2ba3bcf0da81ff1bf40"", ""trialInfo"" : { ""rollouts"" : [ { ""rolloutId"" : ""65a8173205d942272410674b"", ""factorPackIds"" : { }, ""deploymentId"" : 240000001 }, { ""rolloutId"" : ""61675b89201f677a9a4cbd65"", ""factorPackIds"" : { ""HEALTH_FEATURE_AVAILABILITY"" : ""65a855f5f087695cfac03d1f"" }, ""deploymentId"" : 240000095 } ], ""experiments"" : [ ] }, ""reportNotes"" : [ ""PC register does not match crashing frame (0x0 vs 0x7FF898AEEA78)"" ] } ===== Log before crash start ===== Startup Messages --- warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR bundle with that from NMRSTAR bundle 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 ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow4_parental/A11Parental_1.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow4_parental/A11Parental_1.pdb --- warnings | Ignored bad PDB record found on line 4462 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4463 #BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P4_0016.pdb Ignored bad PDB record found on line 4464 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4465 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4466 pose -1056.43 100.034 532.197 2.12118 0.768788 -23.2915 -55.3316 -125.482 -30.4497 -27.5533 -7.16081 0.470131 0.567418 0.10012 -13.4304 62.2158 191.788 -26.3016 -60.28 -535.444 302 messages similar to the above omitted Chain information for A11Parental_1.pdb #1 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow4_parental/A11Parental_2.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow4_parental/A11Parental_2.pdb --- warnings | Ignored bad PDB record found on line 4462 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4463 #BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P3_0030.pdb Ignored bad PDB record found on line 4464 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4465 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4466 pose -1058.61 99.6619 535.441 2.1172 0.769511 -23.5686 -55.3316 -125.482 -30.4127 -27.5263 -7.1665 0.474333 0.575353 0.100124 -12.3879 62.5159 190.52 -24.9437 -60.28 -533.536 302 messages similar to the above omitted Chain information for A11Parental_2.pdb #2 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow4_parental/A11Parental_3.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow4_parental/A11Parental_3.pdb --- warnings | Ignored bad PDB record found on line 4462 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4463 #BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P3_0002.pdb Ignored bad PDB record found on line 4464 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4465 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4466 pose -1062.46 103.437 536.258 2.13772 0.772106 -23.7008 -55.3316 -125.482 -28.3903 -26.5414 -7.16226 0.484369 0.554829 0.100115 -13.6575 62.2546 190.477 -26.0162 -60.28 -532.547 302 messages similar to the above omitted Chain information for A11Parental_3.pdb #3 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow4_parental/A11Parental_4.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow4_parental/A11Parental_4.pdb --- warnings | Ignored bad PDB record found on line 4462 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4463 #BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P4_0045.pdb Ignored bad PDB record found on line 4464 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4465 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4466 pose -1055.06 99.8695 531.158 2.1606 0.769757 -23.2958 -55.3316 -125.482 -30.4361 -25.6974 -7.17506 0.479723 0.555341 0.100118 -13.7748 62.2325 192.781 -26.0363 -60.28 -532.463 302 messages similar to the above omitted Chain information for A11Parental_4.pdb #4 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow4_parental/A11Parental_5.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow4_parental/A11Parental_5.pdb --- warnings | Ignored bad PDB record found on line 4462 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4463 #BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P3_0021.pdb Ignored bad PDB record found on line 4464 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4465 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4466 pose -1055.18 100.752 534.05 2.1259 0.769161 -23.5847 -55.3316 -125.482 -29.5717 -27.1518 -7.25526 0.450411 0.601285 0.100124 -13.7343 62.1444 190.125 -25.8772 -60.28 -532.331 302 messages similar to the above omitted Chain information for A11Parental_5.pdb #5 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow4_parental/A11Parental_6.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow4_parental/A11Parental_6.pdb --- warnings | Ignored bad PDB record found on line 4462 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4463 #BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P3_0012.pdb Ignored bad PDB record found on line 4464 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4465 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4466 pose -1061.79 102.409 536.863 2.11486 0.769798 -23.1526 -55.3316 -125.482 -35.2917 -24.2608 -7.17361 0.470738 0.568717 0.100117 -12.1372 62.6794 192.655 -25.8527 -60.28 -532.125 302 messages similar to the above omitted Chain information for A11Parental_6.pdb #6 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow4_parental/A11Parental_7.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow4_parental/A11Parental_7.pdb --- warnings | Ignored bad PDB record found on line 4462 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4463 #BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P3_0026.pdb Ignored bad PDB record found on line 4464 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4465 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4466 pose -1062.63 104.992 536.085 2.12978 0.766762 -23.5496 -55.3316 -125.482 -32.9465 -25.2512 -7.17277 0.474606 0.560914 0.100113 -12.3153 62.4889 190.974 -25.4827 -60.28 -531.866 302 messages similar to the above omitted Chain information for A11Parental_7.pdb #7 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow4_parental/A11Parental_8.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow4_parental/A11Parental_8.pdb --- warnings | Ignored bad PDB record found on line 4462 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4463 #BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P4_0001.pdb Ignored bad PDB record found on line 4464 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4465 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4466 pose -1064.93 101.232 539.26 2.13185 0.770792 -23.5228 -55.3316 -125.482 -33.1658 -25.3525 -7.1595 0.47766 0.563003 0.100119 -9.83864 63.2235 190.387 -24.111 -60.28 -531.027 302 messages similar to the above omitted Chain information for A11Parental_8.pdb #8 --- Chain | Description A | No description available B | No description available [deleted to fit within ticket limits] 7ow6p_5.pdb #5/B LYS 10 O 7ow6p_5.pdb #5/A THR 143 OG1 -0.310 2.890 7ow6p_5.pdb #5/B VAL 3 CB 7ow6p_5.pdb #5/A TYR 159 CE1 -0.318 3.718 7ow6p_5.pdb #5/B VAL 8 O 7ow6p_5.pdb #5/A TRP 147 CD1 -0.323 3.503 7ow6p_5.pdb #5/B VAL 3 O 7ow6p_5.pdb #5/A ASN 66 2HB -0.324 2.804 7ow6p_5.pdb #5/B VAL 3 3HG2 7ow6p_5.pdb #5/A TYR 159 CG -0.324 3.024 7ow6p_5.pdb #5/B VAL 2 CG1 7ow6p_5.pdb #5/A ASN 66 CB -0.326 3.726 7ow6p_5.pdb #5/B ALA 5 CA 7ow6p_5.pdb #5/A GLN 70 OE1 -0.327 3.507 7ow6p_5.pdb #5/B ASP 6 OD2 7ow6p_5.pdb #5/A ARG 114 CZ -0.331 3.511 7ow6p_5.pdb #5/B VAL 1 1H 7ow6p_5.pdb #5/A TRP 167 CD1 -0.333 3.033 7ow6p_5.pdb #5/B VAL 3 HB 7ow6p_5.pdb #5/A TYR 159 CG -0.337 3.037 7ow6p_5.pdb #5/B LYS 10 CB 7ow6p_5.pdb #5/A LEU 81 CD2 -0.338 3.738 7ow6p_5.pdb #5/B LYS 10 1HG 7ow6p_5.pdb #5/A TYR 123 CE2 -0.338 3.038 7ow6p_5.pdb #5/B ALA 5 CB 7ow6p_5.pdb #5/A ALA 69 C -0.343 3.743 7ow6p_5.pdb #5/B VAL 3 HB 7ow6p_5.pdb #5/A TYR 159 CD2 -0.345 3.045 7ow6p_5.pdb #5/B ALA 5 CB 7ow6p_5.pdb #5/A GLN 70 CA -0.347 3.747 7ow6p_5.pdb #5/B VAL 3 CG2 7ow6p_5.pdb #5/A TYR 159 CB -0.357 3.757 7ow6p_5.pdb #5/B VAL 2 C 7ow6p_5.pdb #5/A ASN 66 2HD2 -0.362 3.062 7ow6p_5.pdb #5/B VAL 8 O 7ow6p_5.pdb #5/A TRP 147 CE2 -0.362 3.542 7ow6p_5.pdb #5/B VAL 2 2HG1 7ow6p_5.pdb #5/A ASN 66 1HB -0.363 2.363 7ow6p_5.pdb #5/B LYS 10 NZ 7ow6p_5.pdb #5/A ASP 116 CG -0.368 3.693 7ow6p_5.pdb #5/B VAL 1 N 7ow6p_5.pdb #5/A TRP 167 CG -0.370 3.695 7ow6p_5.pdb #5/B VAL 1 1H 7ow6p_5.pdb #5/A TRP 167 CB -0.370 3.070 7ow6p_5.pdb #5/B VAL 2 1HG1 7ow6p_5.pdb #5/A VAL 67 HB -0.371 2.371 7ow6p_5.pdb #5/B LYS 10 O 7ow6p_5.pdb #5/A LYS 146 1HD -0.373 2.853 7ow6p_5.pdb #5/B GLY 7 N 7ow6p_5.pdb #5/A GLN 155 1HE2 -0.376 3.001 7ow6p_5.pdb #5/B LYS 10 HA 7ow6p_5.pdb #5/A THR 143 HG1 -0.383 2.383 7ow6p_5.pdb #5/B ASP 6 H 7ow6p_5.pdb #5/A GLN 70 CD -0.384 3.084 7ow6p_5.pdb #5/B GLY 7 N 7ow6p_5.pdb #5/A GLN 155 CD -0.386 3.711 7ow6p_5.pdb #5/B LYS 10 CG 7ow6p_5.pdb #5/A THR 143 OG1 -0.388 3.588 7ow6p_5.pdb #5/B VAL 1 HA 7ow6p_5.pdb #5/A GLU 63 OE2 -0.393 2.873 7ow6p_5.pdb #5/B VAL 3 CG1 7ow6p_5.pdb #5/A TYR 99 CZ -0.395 3.795 7ow6p_5.pdb #5/B VAL 1 CA 7ow6p_5.pdb #5/A TYR 7 OH -0.397 3.597 7ow6p_5.pdb #5/B LYS 10 1HG 7ow6p_5.pdb #5/A LEU 81 CD1 -0.397 3.097 7ow6p_5.pdb #5/B VAL 1 HB 7ow6p_5.pdb #5/A TYR 59 HE1 -0.399 2.399 7ow6p_5.pdb #5/B LYS 10 OXT 7ow6p_5.pdb #5/A THR 80 CG2 -0.399 3.579 153 contacts > contacts #6/B restrict #6/A interModel false intraMol false > ignoreHiddenModels true select true color #ff2600 reveal true log true Allowed overlap: -0.4 H-bond overlap reduction: 0.4 Ignore contacts between atoms separated by 4 bonds or less Detect intra-residue contacts: False Detect intra-molecule contacts: False 180 contacts atom1 atom2 overlap distance 7ow6p_6.pdb #6/B VAL 2 1HG1 7ow6p_6.pdb #6/A VAL 67 CG2 0.238 2.462 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 159 HH 0.238 1.842 7ow6p_6.pdb #6/B VAL 2 2HG1 7ow6p_6.pdb #6/A TYR 7 CE2 0.215 2.485 7ow6p_6.pdb #6/B VAL 1 3HG1 7ow6p_6.pdb #6/A TRP 167 CE2 0.200 2.500 7ow6p_6.pdb #6/B ASP 6 OD2 7ow6p_6.pdb #6/A ARG 114 2HH2 0.190 1.890 7ow6p_6.pdb #6/B GLY 9 O 7ow6p_6.pdb #6/A TRP 147 HE1 0.181 1.899 7ow6p_6.pdb #6/B LYS 10 2HZ 7ow6p_6.pdb #6/A ASP 116 OD2 0.180 1.900 7ow6p_6.pdb #6/B LYS 10 H 7ow6p_6.pdb #6/A ASP 77 OD1 0.180 1.900 7ow6p_6.pdb #6/B ASP 6 OD1 7ow6p_6.pdb #6/A ARG 114 2HH1 0.175 1.905 7ow6p_6.pdb #6/B VAL 1 2H 7ow6p_6.pdb #6/A TYR 171 OH 0.155 1.945 7ow6p_6.pdb #6/B VAL 2 H 7ow6p_6.pdb #6/A GLU 63 OE1 0.137 1.943 7ow6p_6.pdb #6/B VAL 2 CG1 7ow6p_6.pdb #6/A TYR 9 HH 0.136 2.564 7ow6p_6.pdb #6/B GLY 9 C 7ow6p_6.pdb #6/A TRP 147 HE1 0.134 2.566 7ow6p_6.pdb #6/B VAL 1 CG1 7ow6p_6.pdb #6/A GLU 63 OE2 0.127 3.053 7ow6p_6.pdb #6/B VAL 1 1H 7ow6p_6.pdb #6/A TRP 167 CG 0.117 2.583 7ow6p_6.pdb #6/B VAL 1 CB 7ow6p_6.pdb #6/A GLU 63 OE2 0.104 3.076 7ow6p_6.pdb #6/B VAL 1 C 7ow6p_6.pdb #6/A TYR 7 OH 0.103 3.097 7ow6p_6.pdb #6/B LYS 10 OXT 7ow6p_6.pdb #6/A THR 80 1HG2 0.100 2.380 7ow6p_6.pdb #6/B VAL 1 HB 7ow6p_6.pdb #6/A GLU 63 OE2 0.090 2.390 7ow6p_6.pdb #6/B LYS 10 O 7ow6p_6.pdb #6/A THR 143 HG1 0.082 1.998 7ow6p_6.pdb #6/B LYS 10 H 7ow6p_6.pdb #6/A ASP 77 CG 0.080 2.620 7ow6p_6.pdb #6/B GLY 7 2HA 7ow6p_6.pdb #6/A GLN 155 1HE2 0.070 1.930 7ow6p_6.pdb #6/B VAL 1 2HG2 7ow6p_6.pdb #6/A TRP 167 CD1 0.044 2.656 7ow6p_6.pdb #6/B VAL 2 HB 7ow6p_6.pdb #6/A TYR 99 OH 0.043 2.457 7ow6p_6.pdb #6/B ASP 6 CG 7ow6p_6.pdb #6/A ARG 114 2HH1 0.039 2.661 7ow6p_6.pdb #6/B VAL 1 2HG1 7ow6p_6.pdb #6/A GLU 63 OE2 0.025 2.455 7ow6p_6.pdb #6/B VAL 1 CG1 7ow6p_6.pdb #6/A TRP 167 CE2 0.022 3.378 7ow6p_6.pdb #6/B VAL 2 HB 7ow6p_6.pdb #6/A TYR 9 OH 0.018 2.482 7ow6p_6.pdb #6/B VAL 2 CG1 7ow6p_6.pdb #6/A TYR 7 CE2 0.008 3.392 7ow6p_6.pdb #6/B VAL 3 H 7ow6p_6.pdb #6/A TYR 99 CZ 0.002 2.698 7ow6p_6.pdb #6/B LYS 10 HA 7ow6p_6.pdb #6/A THR 143 3HG2 -0.004 2.004 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 7 HE1 -0.015 2.495 7ow6p_6.pdb #6/B VAL 3 H 7ow6p_6.pdb #6/A TYR 99 OH -0.022 2.122 7ow6p_6.pdb #6/B VAL 2 CG1 7ow6p_6.pdb #6/A TYR 9 OH -0.024 3.224 7ow6p_6.pdb #6/B VAL 1 HA 7ow6p_6.pdb #6/A GLU 63 OE1 -0.035 2.515 7ow6p_6.pdb #6/B VAL 2 2HG2 7ow6p_6.pdb #6/A GLU 63 OE1 -0.040 2.520 7ow6p_6.pdb #6/B LYS 10 C 7ow6p_6.pdb #6/A THR 143 HG1 -0.041 2.741 7ow6p_6.pdb #6/B VAL 1 3HG1 7ow6p_6.pdb #6/A TRP 167 NE1 -0.042 2.667 7ow6p_6.pdb #6/B VAL 2 CB 7ow6p_6.pdb #6/A TYR 99 OH -0.045 3.245 7ow6p_6.pdb #6/B LYS 10 O 7ow6p_6.pdb #6/A TYR 84 HE2 -0.048 2.528 7ow6p_6.pdb #6/B VAL 2 2HG1 7ow6p_6.pdb #6/A TYR 7 CD2 -0.054 2.754 7ow6p_6.pdb #6/B LYS 10 O 7ow6p_6.pdb #6/A TYR 84 CE2 -0.055 3.235 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 7 CE1 -0.061 3.241 7ow6p_6.pdb #6/B VAL 1 3HG1 7ow6p_6.pdb #6/A TRP 167 CD2 -0.062 2.762 7ow6p_6.pdb #6/B VAL 3 2HG1 7ow6p_6.pdb #6/A TYR 99 CZ -0.068 2.768 7ow6p_6.pdb #6/B VAL 2 2HG1 7ow6p_6.pdb #6/A TYR 7 CZ -0.068 2.768 7ow6p_6.pdb #6/B LYS 10 2HZ 7ow6p_6.pdb #6/A ASP 116 CG -0.072 2.772 7ow6p_6.pdb #6/B VAL 2 CB 7ow6p_6.pdb #6/A TYR 9 OH -0.076 3.276 7ow6p_6.pdb #6/B VAL 3 1HG2 7ow6p_6.pdb #6/A GLN 156 OE1 -0.078 2.558 7ow6p_6.pdb #6/B VAL 3 HB 7ow6p_6.pdb #6/A TYR 99 CE1 -0.079 2.779 7ow6p_6.pdb #6/B ASP 6 CG 7ow6p_6.pdb #6/A ARG 114 2HH2 -0.083 2.783 7ow6p_6.pdb #6/B VAL 1 CG1 7ow6p_6.pdb #6/A TRP 167 NE1 -0.084 3.409 7ow6p_6.pdb #6/B GLY 9 O 7ow6p_6.pdb #6/A TRP 147 NE1 -0.087 2.792 7ow6p_6.pdb #6/B VAL 2 3HG1 7ow6p_6.pdb #6/A GLU 63 OE1 -0.091 2.571 7ow6p_6.pdb #6/B LYS 10 HA 7ow6p_6.pdb #6/A THR 143 CG2 -0.095 2.795 7ow6p_6.pdb #6/B VAL 2 CG1 7ow6p_6.pdb #6/A VAL 67 CG2 -0.101 3.501 7ow6p_6.pdb #6/B VAL 2 1HG1 7ow6p_6.pdb #6/A TYR 9 HH -0.102 2.102 7ow6p_6.pdb #6/B VAL 3 3HG2 7ow6p_6.pdb #6/A TYR 159 CB -0.102 2.802 7ow6p_6.pdb #6/B VAL 2 CG2 7ow6p_6.pdb #6/A ASN 66 1HB -0.107 2.807 7ow6p_6.pdb #6/B VAL 3 H 7ow6p_6.pdb #6/A TYR 99 CE1 -0.108 2.808 7ow6p_6.pdb #6/B VAL 3 HA 7ow6p_6.pdb #6/A TYR 159 CD1 -0.108 2.808 7ow6p_6.pdb #6/B VAL 1 CA 7ow6p_6.pdb #6/A GLU 63 OE1 -0.110 3.290 7ow6p_6.pdb #6/B VAL 2 1HG1 7ow6p_6.pdb #6/A VAL 67 2HG2 -0.111 2.111 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 159 HE1 -0.113 2.593 7ow6p_6.pdb #6/B VAL 1 1H 7ow6p_6.pdb #6/A TRP 167 CB -0.127 2.827 7ow6p_6.pdb #6/B GLY 7 H 7ow6p_6.pdb #6/A GLN 155 OE1 -0.129 2.209 7ow6p_6.pdb #6/B VAL 2 HA 7ow6p_6.pdb #6/A TYR 7 CE1 -0.133 2.833 7ow6p_6.pdb #6/B LYS 10 2HE 7ow6p_6.pdb #6/A ILE 95 CG2 -0.140 2.840 7ow6p_6.pdb #6/B VAL 2 1HG2 7ow6p_6.pdb #6/A VAL 67 3HG2 -0.147 2.147 7ow6p_6.pdb #6/B VAL 8 O 7ow6p_6.pdb #6/A TRP 147 NE1 -0.147 2.852 7ow6p_6.pdb #6/B VAL 2 1HG2 7ow6p_6.pdb #6/A VAL 67 CG2 -0.154 2.854 7ow6p_6.pdb #6/B VAL 3 CG1 7ow6p_6.pdb #6/A TYR 99 CZ -0.160 3.560 7ow6p_6.pdb #6/B VAL 2 N 7ow6p_6.pdb #6/A GLU 63 OE1 -0.161 2.866 7ow6p_6.pdb #6/B VAL 3 3HG2 7ow6p_6.pdb #6/A TYR 159 CG -0.161 2.861 7ow6p_6.pdb #6/B VAL 1 CB 7ow6p_6.pdb #6/A GLU 63 CD -0.163 3.563 7ow6p_6.pdb #6/B VAL 1 HA 7ow6p_6.pdb #6/A GLU 63 CD -0.163 2.863 7ow6p_6.pdb #6/B VAL 2 H 7ow6p_6.pdb #6/A GLU 63 CD -0.165 2.865 7ow6p_6.pdb #6/B VAL 2 CG1 7ow6p_6.pdb #6/A TYR 7 CZ -0.166 3.566 7ow6p_6.pdb #6/B LYS 10 N 7ow6p_6.pdb #6/A ASP 77 OD1 -0.167 2.872 7ow6p_6.pdb #6/B VAL 2 C 7ow6p_6.pdb #6/A TYR 159 CE1 -0.169 3.569 7ow6p_6.pdb #6/B VAL 3 1HG2 7ow6p_6.pdb #6/A GLN 156 NE2 -0.172 2.797 7ow6p_6.pdb #6/B LYS 10 OXT 7ow6p_6.pdb #6/A THR 80 CG2 -0.175 3.355 7ow6p_6.pdb #6/B LYS 10 1HG 7ow6p_6.pdb #6/A TRP 147 CZ2 -0.176 2.876 7ow6p_6.pdb #6/B GLY 7 CA 7ow6p_6.pdb #6/A GLN 155 1HE2 -0.178 2.878 7ow6p_6.pdb #6/B LYS 10 CG 7ow6p_6.pdb #6/A TRP 147 CZ2 -0.183 3.583 7ow6p_6.pdb #6/B ASP 6 OD2 7ow6p_6.pdb #6/A ARG 114 NH2 -0.186 2.891 7ow6p_6.pdb #6/B VAL 8 CG2 7ow6p_6.pdb #6/A ALA 150 CB -0.190 3.590 7ow6p_6.pdb #6/B GLY 9 C 7ow6p_6.pdb #6/A TRP 147 NE1 -0.191 3.516 7ow6p_6.pdb #6/B VAL 8 1HG2 7ow6p_6.pdb #6/A ALA 150 2HB -0.194 2.194 7ow6p_6.pdb #6/B LYS 10 1HZ 7ow6p_6.pdb #6/A ILE 97 1HD1 -0.196 2.196 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 159 OH -0.197 2.777 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 159 CE1 -0.198 3.378 7ow6p_6.pdb #6/B LYS 10 C 7ow6p_6.pdb #6/A THR 80 1HG2 -0.198 2.898 7ow6p_6.pdb #6/B VAL 8 O 7ow6p_6.pdb #6/A TRP 147 HE1 -0.201 2.281 7ow6p_6.pdb #6/B LYS 10 NZ 7ow6p_6.pdb #6/A ASP 116 OD2 -0.201 2.906 7ow6p_6.pdb #6/B ASP 6 OD1 7ow6p_6.pdb #6/A ARG 114 NH1 -0.208 2.913 7ow6p_6.pdb #6/B VAL 1 CG2 7ow6p_6.pdb #6/A TRP 167 CD1 -0.208 3.608 7ow6p_6.pdb #6/B LYS 10 O 7ow6p_6.pdb #6/A THR 143 OG1 -0.209 2.789 7ow6p_6.pdb #6/B VAL 3 1HG2 7ow6p_6.pdb #6/A GLN 156 CD -0.209 2.909 7ow6p_6.pdb #6/B LYS 10 1HG 7ow6p_6.pdb #6/A THR 143 1HG2 -0.210 2.210 7ow6p_6.pdb #6/B VAL 3 2HG1 7ow6p_6.pdb #6/A TYR 99 OH -0.212 2.712 7ow6p_6.pdb #6/B VAL 1 1H 7ow6p_6.pdb #6/A TRP 167 CD1 -0.213 2.913 7ow6p_6.pdb #6/B VAL 2 CA 7ow6p_6.pdb #6/A TYR 99 OH -0.217 3.417 7ow6p_6.pdb #6/B VAL 2 CG2 7ow6p_6.pdb #6/A ASN 66 CB -0.217 3.617 7ow6p_6.pdb #6/B VAL 1 N 7ow6p_6.pdb #6/A TYR 171 OH -0.218 2.943 7ow6p_6.pdb #6/B VAL 1 N 7ow6p_6.pdb #6/A TRP 167 CG -0.228 3.553 7ow6p_6.pdb #6/B LYS 10 O 7ow6p_6.pdb #6/A THR 80 1HG2 -0.235 2.715 7ow6p_6.pdb #6/B VAL 1 C 7ow6p_6.pdb #6/A TYR 159 HH -0.239 2.939 7ow6p_6.pdb #6/B VAL 1 2H 7ow6p_6.pdb #6/A TYR 171 CZ -0.244 2.944 7ow6p_6.pdb #6/B VAL 1 CA 7ow6p_6.pdb #6/A GLU 63 CD -0.245 3.645 7ow6p_6.pdb #6/B LYS 10 CG 7ow6p_6.pdb #6/A TRP 147 HZ2 -0.247 2.947 7ow6p_6.pdb #6/B LYS 10 CE 7ow6p_6.pdb #6/A ILE 95 1HG2 -0.248 2.948 7ow6p_6.pdb #6/B VAL 3 CB 7ow6p_6.pdb #6/A TYR 99 CE1 -0.266 3.666 7ow6p_6.pdb #6/B VAL 1 2HG1 7ow6p_6.pdb #6/A GLU 63 CD -0.266 2.966 7ow6p_6.pdb #6/B LYS 10 1HB 7ow6p_6.pdb #6/A ASP 77 CG -0.269 2.969 7ow6p_6.pdb #6/B VAL 1 HB 7ow6p_6.pdb #6/A GLU 63 CD -0.272 2.972 7ow6p_6.pdb #6/B LYS 10 N 7ow6p_6.pdb #6/A ASP 77 CG -0.274 3.599 7ow6p_6.pdb #6/B VAL 8 O 7ow6p_6.pdb #6/A TRP 147 CD1 -0.282 3.462 7ow6p_6.pdb #6/B VAL 2 HB 7ow6p_6.pdb #6/A TYR 99 HH -0.287 2.287 7ow6p_6.pdb #6/B ASP 6 CG 7ow6p_6.pdb #6/A ARG 114 NH1 -0.287 3.612 7ow6p_6.pdb #6/B VAL 8 CG2 7ow6p_6.pdb #6/A ALA 150 2HB -0.288 2.988 7ow6p_6.pdb #6/B VAL 3 HA 7ow6p_6.pdb #6/A TYR 159 CG -0.291 2.991 7ow6p_6.pdb #6/B GLY 7 2HA 7ow6p_6.pdb #6/A GLN 155 NE2 -0.295 2.920 7ow6p_6.pdb #6/B VAL 1 N 7ow6p_6.pdb #6/A TRP 167 CB -0.295 3.620 7ow6p_6.pdb #6/B VAL 8 C 7ow6p_6.pdb #6/A TRP 147 HE1 -0.296 2.996 7ow6p_6.pdb #6/B LYS 10 CA 7ow6p_6.pdb #6/A THR 143 HG1 -0.296 2.996 7ow6p_6.pdb #6/B VAL 1 3HG1 7ow6p_6.pdb #6/A TRP 167 CD1 -0.297 2.997 7ow6p_6.pdb #6/B VAL 3 N 7ow6p_6.pdb #6/A TYR 159 CE1 -0.303 3.628 7ow6p_6.pdb #6/B VAL 1 CA 7ow6p_6.pdb #6/A TYR 7 OH -0.305 3.505 7ow6p_6.pdb #6/B LYS 10 2HE 7ow6p_6.pdb #6/A ILE 95 1HG2 -0.307 2.307 7ow6p_6.pdb #6/B VAL 1 CG1 7ow6p_6.pdb #6/A GLU 63 CD -0.308 3.708 7ow6p_6.pdb #6/B LYS 10 C 7ow6p_6.pdb #6/A THR 143 OG1 -0.308 3.508 7ow6p_6.pdb #6/B VAL 2 1HG1 7ow6p_6.pdb #6/A TYR 9 OH -0.309 2.809 7ow6p_6.pdb #6/B VAL 1 C 7ow6p_6.pdb #6/A TYR 7 CZ -0.310 3.710 7ow6p_6.pdb #6/B LYS 10 CE 7ow6p_6.pdb #6/A ILE 95 CG2 -0.312 3.712 7ow6p_6.pdb #6/B VAL 1 2HG1 7ow6p_6.pdb #6/A TYR 59 CE1 -0.314 3.014 7ow6p_6.pdb #6/B VAL 3 1HG2 7ow6p_6.pdb #6/A GLN 156 1HE2 -0.316 2.316 7ow6p_6.pdb #6/B VAL 3 N 7ow6p_6.pdb #6/A TYR 99 CE1 -0.318 3.643 7ow6p_6.pdb #6/B VAL 1 CG1 7ow6p_6.pdb #6/A TRP 167 CZ2 -0.320 3.720 7ow6p_6.pdb #6/B LYS 10 1HE 7ow6p_6.pdb #6/A ASP 77 CG -0.322 3.022 7ow6p_6.pdb #6/B VAL 2 CG2 7ow6p_6.pdb #6/A GLU 63 OE1 -0.322 3.502 7ow6p_6.pdb #6/B VAL 2 HA 7ow6p_6.pdb #6/A TYR 99 OH -0.325 2.825 7ow6p_6.pdb #6/B VAL 3 3HG2 7ow6p_6.pdb #6/A TYR 159 CD2 -0.330 3.030 7ow6p_6.pdb #6/B VAL 2 CB 7ow6p_6.pdb #6/A TYR 9 HH -0.331 3.031 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 159 CZ -0.331 3.511 7ow6p_6.pdb #6/B VAL 1 C 7ow6p_6.pdb #6/A GLU 63 OE1 -0.331 3.511 7ow6p_6.pdb #6/B ALA 5 HA 7ow6p_6.pdb #6/A GLN 70 OE1 -0.332 2.812 7ow6p_6.pdb #6/B VAL 8 1HG2 7ow6p_6.pdb #6/A ALA 150 CB -0.333 3.033 7ow6p_6.pdb #6/B LYS 10 1HD 7ow6p_6.pdb #6/A TYR 123 CE2 -0.333 3.033 7ow6p_6.pdb #6/B LYS 10 1HG 7ow6p_6.pdb #6/A THR 143 CG2 -0.337 3.037 7ow6p_6.pdb #6/B LYS 10 CE 7ow6p_6.pdb #6/A ILE 95 3HD1 -0.337 3.037 7ow6p_6.pdb #6/B VAL 1 3HG2 7ow6p_6.pdb #6/A TYR 159 HE1 -0.337 2.337 7ow6p_6.pdb #6/B VAL 1 CG2 7ow6p_6.pdb #6/A ARG 163 2HB -0.339 3.039 7ow6p_6.pdb #6/B LYS 10 CD 7ow6p_6.pdb #6/A TYR 123 CE2 -0.339 3.739 7ow6p_6.pdb #6/B VAL 8 1HG1 7ow6p_6.pdb #6/A LYS 146 2HB -0.346 2.346 7ow6p_6.pdb #6/B LYS 10 CA 7ow6p_6.pdb #6/A THR 143 OG1 -0.346 3.546 7ow6p_6.pdb #6/B VAL 3 N 7ow6p_6.pdb #6/A TYR 99 CZ -0.354 3.679 7ow6p_6.pdb #6/B LYS 10 1HE 7ow6p_6.pdb #6/A ASP 77 OD2 -0.355 2.835 7ow6p_6.pdb #6/B VAL 2 CA 7ow6p_6.pdb #6/A TYR 7 CE1 -0.357 3.757 7ow6p_6.pdb #6/B VAL 3 CG2 7ow6p_6.pdb #6/A GLN 156 NE2 -0.358 3.683 7ow6p_6.pdb #6/B VAL 2 CG1 7ow6p_6.pdb #6/A GLU 63 OE1 -0.359 3.539 7ow6p_6.pdb #6/B VAL 3 N 7ow6p_6.pdb #6/A TYR 159 CZ -0.364 3.689 7ow6p_6.pdb #6/B VAL 3 CA 7ow6p_6.pdb #6/A TYR 159 CD1 -0.365 3.765 7ow6p_6.pdb #6/B VAL 1 C 7ow6p_6.pdb #6/A TYR 7 CE1 -0.366 3.766 7ow6p_6.pdb #6/B LYS 10 CE 7ow6p_6.pdb #6/A ASP 77 OD2 -0.368 3.548 7ow6p_6.pdb #6/B VAL 1 3HG1 7ow6p_6.pdb #6/A TRP 167 CG -0.371 3.071 7ow6p_6.pdb #6/B LYS 10 NZ 7ow6p_6.pdb #6/A ILE 97 1HD1 -0.374 2.999 7ow6p_6.pdb #6/B VAL 2 O 7ow6p_6.pdb #6/A TYR 159 CE1 -0.375 3.555 7ow6p_6.pdb #6/B ASP 6 CG 7ow6p_6.pdb #6/A ARG 114 NH2 -0.375 3.700 7ow6p_6.pdb #6/B GLY 7 H 7ow6p_6.pdb #6/A GLN 155 CD -0.376 3.076 7ow6p_6.pdb #6/B VAL 3 N 7ow6p_6.pdb #6/A TYR 99 OH -0.379 3.104 7ow6p_6.pdb #6/B VAL 1 CB 7ow6p_6.pdb #6/A GLU 63 OE1 -0.380 3.560 7ow6p_6.pdb #6/B LYS 10 CA 7ow6p_6.pdb #6/A THR 143 3HG2 -0.383 3.083 7ow6p_6.pdb #6/B VAL 2 CG2 7ow6p_6.pdb #6/A VAL 67 3HG2 -0.384 3.084 7ow6p_6.pdb #6/B VAL 2 CG2 7ow6p_6.pdb #6/A VAL 67 CG2 -0.391 3.791 7ow6p_6.pdb #6/B LYS 10 CA 7ow6p_6.pdb #6/A THR 143 CG2 -0.391 3.791 7ow6p_6.pdb #6/B VAL 1 3HG1 7ow6p_6.pdb #6/A TRP 167 CZ2 -0.394 3.094 7ow6p_6.pdb #6/B LYS 10 O 7ow6p_6.pdb #6/A THR 80 CG2 -0.397 3.577 7ow6p_6.pdb #6/B LYS 10 2HB 7ow6p_6.pdb #6/A LEU 81 1HD2 -0.398 2.398 7ow6p_6.pdb #6/B VAL 2 2HG1 7ow6p_6.pdb #6/A TYR 9 HH -0.399 2.399 180 contacts > contacts #6/B:1 restrict #6/A interModel false intraMol false > ignoreHiddenModels true select true color #ff2600 reveal true log true Allowed overlap: -0.4 H-bond overlap reduction: 0.4 Ignore contacts between atoms separated by 4 bonds or less Detect intra-residue contacts: False Detect intra-molecule contacts: False 48 contacts atom1 atom2 overlap distance 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 159 HH 0.238 1.842 7ow6p_6.pdb #6/B VAL 1 3HG1 7ow6p_6.pdb #6/A TRP 167 CE2 0.200 2.500 7ow6p_6.pdb #6/B VAL 1 2H 7ow6p_6.pdb #6/A TYR 171 OH 0.155 1.945 7ow6p_6.pdb #6/B VAL 1 CG1 7ow6p_6.pdb #6/A GLU 63 OE2 0.127 3.053 7ow6p_6.pdb #6/B VAL 1 1H 7ow6p_6.pdb #6/A TRP 167 CG 0.117 2.583 7ow6p_6.pdb #6/B VAL 1 CB 7ow6p_6.pdb #6/A GLU 63 OE2 0.104 3.076 7ow6p_6.pdb #6/B VAL 1 C 7ow6p_6.pdb #6/A TYR 7 OH 0.103 3.097 7ow6p_6.pdb #6/B VAL 1 HB 7ow6p_6.pdb #6/A GLU 63 OE2 0.090 2.390 7ow6p_6.pdb #6/B VAL 1 2HG2 7ow6p_6.pdb #6/A TRP 167 CD1 0.044 2.656 7ow6p_6.pdb #6/B VAL 1 2HG1 7ow6p_6.pdb #6/A GLU 63 OE2 0.025 2.455 7ow6p_6.pdb #6/B VAL 1 CG1 7ow6p_6.pdb #6/A TRP 167 CE2 0.022 3.378 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 7 HE1 -0.015 2.495 7ow6p_6.pdb #6/B VAL 1 HA 7ow6p_6.pdb #6/A GLU 63 OE1 -0.035 2.515 7ow6p_6.pdb #6/B VAL 1 3HG1 7ow6p_6.pdb #6/A TRP 167 NE1 -0.042 2.667 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 7 CE1 -0.061 3.241 7ow6p_6.pdb #6/B VAL 1 3HG1 7ow6p_6.pdb #6/A TRP 167 CD2 -0.062 2.762 7ow6p_6.pdb #6/B VAL 1 CG1 7ow6p_6.pdb #6/A TRP 167 NE1 -0.084 3.409 7ow6p_6.pdb #6/B VAL 1 CA 7ow6p_6.pdb #6/A GLU 63 OE1 -0.110 3.290 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 159 HE1 -0.113 2.593 7ow6p_6.pdb #6/B VAL 1 1H 7ow6p_6.pdb #6/A TRP 167 CB -0.127 2.827 7ow6p_6.pdb #6/B VAL 1 CB 7ow6p_6.pdb #6/A GLU 63 CD -0.163 3.563 7ow6p_6.pdb #6/B VAL 1 HA 7ow6p_6.pdb #6/A GLU 63 CD -0.163 2.863 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 159 OH -0.197 2.777 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 159 CE1 -0.198 3.378 7ow6p_6.pdb #6/B VAL 1 CG2 7ow6p_6.pdb #6/A TRP 167 CD1 -0.208 3.608 7ow6p_6.pdb #6/B VAL 1 1H 7ow6p_6.pdb #6/A TRP 167 CD1 -0.213 2.913 7ow6p_6.pdb #6/B VAL 1 N 7ow6p_6.pdb #6/A TYR 171 OH -0.218 2.943 7ow6p_6.pdb #6/B VAL 1 N 7ow6p_6.pdb #6/A TRP 167 CG -0.228 3.553 7ow6p_6.pdb #6/B VAL 1 C 7ow6p_6.pdb #6/A TYR 159 HH -0.239 2.939 7ow6p_6.pdb #6/B VAL 1 2H 7ow6p_6.pdb #6/A TYR 171 CZ -0.244 2.944 7ow6p_6.pdb #6/B VAL 1 CA 7ow6p_6.pdb #6/A GLU 63 CD -0.245 3.645 7ow6p_6.pdb #6/B VAL 1 2HG1 7ow6p_6.pdb #6/A GLU 63 CD -0.266 2.966 7ow6p_6.pdb #6/B VAL 1 HB 7ow6p_6.pdb #6/A GLU 63 CD -0.272 2.972 7ow6p_6.pdb #6/B VAL 1 N 7ow6p_6.pdb #6/A TRP 167 CB -0.295 3.620 7ow6p_6.pdb #6/B VAL 1 3HG1 7ow6p_6.pdb #6/A TRP 167 CD1 -0.297 2.997 7ow6p_6.pdb #6/B VAL 1 CA 7ow6p_6.pdb #6/A TYR 7 OH -0.305 3.505 7ow6p_6.pdb #6/B VAL 1 CG1 7ow6p_6.pdb #6/A GLU 63 CD -0.308 3.708 7ow6p_6.pdb #6/B VAL 1 C 7ow6p_6.pdb #6/A TYR 7 CZ -0.310 3.710 7ow6p_6.pdb #6/B VAL 1 2HG1 7ow6p_6.pdb #6/A TYR 59 CE1 -0.314 3.014 7ow6p_6.pdb #6/B VAL 1 CG1 7ow6p_6.pdb #6/A TRP 167 CZ2 -0.320 3.720 7ow6p_6.pdb #6/B VAL 1 O 7ow6p_6.pdb #6/A TYR 159 CZ -0.331 3.511 7ow6p_6.pdb #6/B VAL 1 C 7ow6p_6.pdb #6/A GLU 63 OE1 -0.331 3.511 7ow6p_6.pdb #6/B VAL 1 3HG2 7ow6p_6.pdb #6/A TYR 159 HE1 -0.337 2.337 7ow6p_6.pdb #6/B VAL 1 CG2 7ow6p_6.pdb #6/A ARG 163 2HB -0.339 3.039 7ow6p_6.pdb #6/B VAL 1 C 7ow6p_6.pdb #6/A TYR 7 CE1 -0.366 3.766 7ow6p_6.pdb #6/B VAL 1 3HG1 7ow6p_6.pdb #6/A TRP 167 CG -0.371 3.071 7ow6p_6.pdb #6/B VAL 1 CB 7ow6p_6.pdb #6/A GLU 63 OE1 -0.380 3.560 7ow6p_6.pdb #6/B VAL 1 3HG1 7ow6p_6.pdb #6/A TRP 167 CZ2 -0.394 3.094 48 contacts > contacts #7/B:1 restrict #7/A interModel false intraMol false > ignoreHiddenModels true select true color #ff2600 reveal true log true Allowed overlap: -0.4 H-bond overlap reduction: 0.4 Ignore contacts between atoms separated by 4 bonds or less Detect intra-residue contacts: False Detect intra-molecule contacts: False 17 contacts atom1 atom2 overlap distance 7ow6p_7.pdb #7/B VAL 1 O 7ow6p_7.pdb #7/A TYR 159 HH 0.182 1.898 7ow6p_7.pdb #7/B VAL 1 2H 7ow6p_7.pdb #7/A TYR 171 OH 0.132 1.968 7ow6p_7.pdb #7/B VAL 1 2HG2 7ow6p_7.pdb #7/A TYR 59 CE1 0.002 2.698 7ow6p_7.pdb #7/B VAL 1 C 7ow6p_7.pdb #7/A TYR 7 OH -0.043 3.243 7ow6p_7.pdb #7/B VAL 1 CG2 7ow6p_7.pdb #7/A TYR 59 CE1 -0.050 3.450 7ow6p_7.pdb #7/B VAL 1 O 7ow6p_7.pdb #7/A TYR 159 HE1 -0.205 2.685 7ow6p_7.pdb #7/B VAL 1 N 7ow6p_7.pdb #7/A TYR 171 OH -0.216 2.941 7ow6p_7.pdb #7/B VAL 1 3HG2 7ow6p_7.pdb #7/A TRP 167 CE2 -0.254 2.954 7ow6p_7.pdb #7/B VAL 1 O 7ow6p_7.pdb #7/A TYR 159 CE1 -0.268 3.448 7ow6p_7.pdb #7/B VAL 1 O 7ow6p_7.pdb #7/A TYR 159 OH -0.271 2.851 7ow6p_7.pdb #7/B VAL 1 CG2 7ow6p_7.pdb #7/A TYR 59 HE1 -0.287 2.987 7ow6p_7.pdb #7/B VAL 1 C 7ow6p_7.pdb #7/A TYR 159 HH -0.289 2.989 7ow6p_7.pdb #7/B VAL 1 2HG2 7ow6p_7.pdb #7/A TYR 59 CD1 -0.305 3.005 7ow6p_7.pdb #7/B VAL 1 2H 7ow6p_7.pdb #7/A TYR 171 HH -0.354 2.354 7ow6p_7.pdb #7/B VAL 1 CG2 7ow6p_7.pdb #7/A TYR 59 CD1 -0.372 3.772 7ow6p_7.pdb #7/B VAL 1 1H 7ow6p_7.pdb #7/A TRP 167 CG -0.388 3.088 7ow6p_7.pdb #7/B VAL 1 O 7ow6p_7.pdb #7/A TYR 159 CZ -0.394 3.574 17 contacts > contacts #7/B restrict #7/A interModel false intraMol false > ignoreHiddenModels true select true color #ff2600 reveal true log true Allowed overlap: -0.4 H-bond overlap reduction: 0.4 Ignore contacts between atoms separated by 4 bonds or less Detect intra-residue contacts: False Detect intra-molecule contacts: False 142 contacts atom1 atom2 overlap distance 7ow6p_7.pdb #7/B VAL 2 HB 7ow6p_7.pdb #7/A TYR 9 OH 0.258 2.242 7ow6p_7.pdb #7/B VAL 1 O 7ow6p_7.pdb #7/A TYR 159 HH 0.182 1.898 7ow6p_7.pdb #7/B ASP 6 OD2 7ow6p_7.pdb #7/A ARG 114 2HH2 0.181 1.899 7ow6p_7.pdb #7/B GLY 9 O 7ow6p_7.pdb #7/A TRP 147 HE1 0.180 1.900 7ow6p_7.pdb #7/B ASP 6 OD1 7ow6p_7.pdb #7/A ARG 114 2HH1 0.180 1.900 7ow6p_7.pdb #7/B ALA 5 O 7ow6p_7.pdb #7/A GLN 155 1HE2 0.168 1.912 7ow6p_7.pdb #7/B LYS 10 H 7ow6p_7.pdb #7/A ASP 77 OD1 0.153 1.927 7ow6p_7.pdb #7/B VAL 3 H 7ow6p_7.pdb #7/A TYR 99 OH 0.145 1.955 7ow6p_7.pdb #7/B LYS 10 1HG 7ow6p_7.pdb #7/A ASP 77 CG 0.140 2.560 7ow6p_7.pdb #7/B LYS 10 1HZ 7ow6p_7.pdb #7/A ASP 116 OD2 0.136 1.944 7ow6p_7.pdb #7/B VAL 1 2H 7ow6p_7.pdb #7/A TYR 171 OH 0.132 1.968 7ow6p_7.pdb #7/B LYS 10 O 7ow6p_7.pdb #7/A THR 143 HG1 0.129 1.951 7ow6p_7.pdb #7/B VAL 2 2HG1 7ow6p_7.pdb #7/A TYR 7 CE2 0.122 2.578 7ow6p_7.pdb #7/B LYS 10 O 7ow6p_7.pdb #7/A TYR 84 HH 0.119 1.961 7ow6p_7.pdb #7/B VAL 2 CG2 7ow6p_7.pdb #7/A ASN 66 1HB 0.117 2.583 7ow6p_7.pdb #7/B VAL 2 H 7ow6p_7.pdb #7/A GLU 63 2HG 0.063 1.937 7ow6p_7.pdb #7/B ASP 6 CG 7ow6p_7.pdb #7/A ARG 114 2HH1 0.028 2.672 7ow6p_7.pdb #7/B LYS 10 1HD 7ow6p_7.pdb #7/A TYR 123 HE2 0.025 1.975 7ow6p_7.pdb #7/B LYS 10 1HD 7ow6p_7.pdb #7/A TYR 123 CE2 0.022 2.678 7ow6p_7.pdb #7/B VAL 3 HB 7ow6p_7.pdb #7/A TYR 99 CE1 0.017 2.683 7ow6p_7.pdb #7/B GLY 7 H 7ow6p_7.pdb #7/A GLN 155 OE1 0.012 2.068 7ow6p_7.pdb #7/B VAL 3 2HG1 7ow6p_7.pdb #7/A TYR 99 OH 0.005 2.495 7ow6p_7.pdb #7/B VAL 1 2HG2 7ow6p_7.pdb #7/A TYR 59 CE1 0.002 2.698 7ow6p_7.pdb #7/B LYS 10 C 7ow6p_7.pdb #7/A THR 143 HG1 -0.013 2.713 7ow6p_7.pdb #7/B ASP 6 CG 7ow6p_7.pdb #7/A ARG 114 2HH2 -0.018 2.718 7ow6p_7.pdb #7/B LYS 10 2HZ 7ow6p_7.pdb #7/A TRP 147 CZ2 -0.019 2.719 7ow6p_7.pdb #7/B VAL 2 3HG2 7ow6p_7.pdb #7/A ASN 66 1HB -0.024 2.024 7ow6p_7.pdb #7/B VAL 2 2HG1 7ow6p_7.pdb #7/A TYR 7 CD2 -0.028 2.728 7ow6p_7.pdb #7/B LYS 10 2HZ 7ow6p_7.pdb #7/A TRP 147 HZ2 -0.037 2.037 7ow6p_7.pdb #7/B GLY 9 C 7ow6p_7.pdb #7/A TRP 147 HE1 -0.039 2.739 7ow6p_7.pdb #7/B VAL 1 C 7ow6p_7.pdb #7/A TYR 7 OH -0.043 3.243 7ow6p_7.pdb #7/B LYS 10 NZ 7ow6p_7.pdb #7/A ASP 116 OD2 -0.043 2.748 7ow6p_7.pdb #7/B VAL 1 CG2 7ow6p_7.pdb #7/A TYR 59 CE1 -0.050 3.450 7ow6p_7.pdb #7/B LYS 10 OXT 7ow6p_7.pdb #7/A THR 80 1HG2 -0.058 2.538 7ow6p_7.pdb #7/B LYS 10 CG 7ow6p_7.pdb #7/A ASP 77 CG -0.058 3.458 7ow6p_7.pdb #7/B VAL 2 CB 7ow6p_7.pdb #7/A TYR 9 OH -0.066 3.266 7ow6p_7.pdb #7/B VAL 3 CG1 7ow6p_7.pdb #7/A TYR 99 CZ -0.066 3.466 7ow6p_7.pdb #7/B VAL 2 CG1 7ow6p_7.pdb #7/A TYR 7 CE2 -0.071 3.471 7ow6p_7.pdb #7/B VAL 8 3HG2 7ow6p_7.pdb #7/A TRP 147 CD1 -0.071 2.771 7ow6p_7.pdb #7/B LYS 10 O 7ow6p_7.pdb #7/A TYR 84 HE2 -0.072 2.552 7ow6p_7.pdb #7/B VAL 2 3HG2 7ow6p_7.pdb #7/A ASN 66 CB -0.102 2.802 7ow6p_7.pdb #7/B ALA 5 O 7ow6p_7.pdb #7/A GLN 155 NE2 -0.116 2.821 7ow6p_7.pdb #7/B ALA 5 C 7ow6p_7.pdb #7/A GLN 155 1HE2 -0.121 2.821 7ow6p_7.pdb #7/B VAL 2 CG2 7ow6p_7.pdb #7/A ASN 66 CB -0.125 3.525 7ow6p_7.pdb #7/B VAL 8 CG2 7ow6p_7.pdb #7/A TRP 147 CD1 -0.128 3.528 7ow6p_7.pdb #7/B VAL 3 3HG2 7ow6p_7.pdb #7/A TYR 159 CG -0.129 2.829 7ow6p_7.pdb #7/B LYS 10 CD 7ow6p_7.pdb #7/A THR 143 1HG2 -0.133 2.833 7ow6p_7.pdb #7/B VAL 3 2HG1 7ow6p_7.pdb #7/A TYR 99 CZ -0.136 2.836 7ow6p_7.pdb #7/B LYS 10 O 7ow6p_7.pdb #7/A TYR 84 CE2 -0.137 3.317 7ow6p_7.pdb #7/B VAL 2 3HG1 7ow6p_7.pdb #7/A GLU 63 CG -0.139 2.839 7ow6p_7.pdb #7/B GLY 9 O 7ow6p_7.pdb #7/A TRP 147 NE1 -0.151 2.856 7ow6p_7.pdb #7/B LYS 10 H 7ow6p_7.pdb #7/A ASP 77 CG -0.155 2.855 7ow6p_7.pdb #7/B VAL 3 H 7ow6p_7.pdb #7/A TYR 99 CZ -0.160 2.860 7ow6p_7.pdb #7/B LYS 10 C 7ow6p_7.pdb #7/A TYR 84 HH -0.164 2.864 7ow6p_7.pdb #7/B LYS 10 C 7ow6p_7.pdb #7/A THR 80 1HG2 -0.166 2.866 7ow6p_7.pdb #7/B ALA 5 2HB 7ow6p_7.pdb #7/A ALA 69 3HB -0.179 2.179 7ow6p_7.pdb #7/B VAL 2 1HG2 7ow6p_7.pdb #7/A VAL 67 HB -0.180 2.180 7ow6p_7.pdb #7/B VAL 8 1HG2 7ow6p_7.pdb #7/A LYS 146 2HG -0.185 2.185 7ow6p_7.pdb #7/B LYS 10 HA 7ow6p_7.pdb #7/A THR 143 3HG2 -0.186 2.186 7ow6p_7.pdb #7/B ALA 5 2HB 7ow6p_7.pdb #7/A ALA 69 CB -0.188 2.888 7ow6p_7.pdb #7/B LYS 10 1HZ 7ow6p_7.pdb #7/A ASP 116 CG -0.190 2.890 7ow6p_7.pdb #7/B VAL 3 CG1 7ow6p_7.pdb #7/A TYR 99 OH -0.194 3.394 7ow6p_7.pdb #7/B ALA 5 CB 7ow6p_7.pdb #7/A ALA 69 CB -0.197 3.597 7ow6p_7.pdb #7/B VAL 8 1HG1 7ow6p_7.pdb #7/A LYS 146 2HE -0.197 2.197 7ow6p_7.pdb #7/B ASP 6 OD2 7ow6p_7.pdb #7/A ARG 114 NH2 -0.198 2.903 7ow6p_7.pdb #7/B ASP 6 OD1 7ow6p_7.pdb #7/A ARG 114 NH1 -0.203 2.908 7ow6p_7.pdb #7/B VAL 1 O 7ow6p_7.pdb #7/A TYR 159 HE1 -0.205 2.685 7ow6p_7.pdb #7/B LYS 10 2HD 7ow6p_7.pdb #7/A TRP 147 CZ2 -0.206 2.906 7ow6p_7.pdb #7/B LYS 10 2HB 7ow6p_7.pdb #7/A LEU 81 1HD2 -0.206 2.206 7ow6p_7.pdb #7/B LYS 10 2HZ 7ow6p_7.pdb #7/A TRP 147 CH2 -0.208 2.908 7ow6p_7.pdb #7/B VAL 3 N 7ow6p_7.pdb #7/A TYR 99 OH -0.210 2.935 7ow6p_7.pdb #7/B VAL 1 N 7ow6p_7.pdb #7/A TYR 171 OH -0.216 2.941 7ow6p_7.pdb #7/B LYS 10 N 7ow6p_7.pdb #7/A ASP 77 OD1 -0.218 2.923 7ow6p_7.pdb #7/B VAL 8 3HG2 7ow6p_7.pdb #7/A TRP 147 NE1 -0.226 2.851 7ow6p_7.pdb #7/B LYS 10 1HG 7ow6p_7.pdb #7/A ASP 77 OD1 -0.229 2.709 7ow6p_7.pdb #7/B LYS 10 CD 7ow6p_7.pdb #7/A THR 143 CG2 -0.240 3.640 7ow6p_7.pdb #7/B LYS 10 CE 7ow6p_7.pdb #7/A ASP 116 OD2 -0.248 3.428 7ow6p_7.pdb #7/B LYS 10 CD 7ow6p_7.pdb #7/A TYR 123 CE2 -0.252 3.652 7ow6p_7.pdb #7/B VAL 2 1HG2 7ow6p_7.pdb #7/A VAL 67 N -0.254 2.879 7ow6p_7.pdb #7/B VAL 1 3HG2 7ow6p_7.pdb #7/A TRP 167 CE2 -0.254 2.954 7ow6p_7.pdb #7/B VAL 3 CB 7ow6p_7.pdb #7/A TYR 99 CZ -0.255 3.655 7ow6p_7.pdb #7/B VAL 3 HB 7ow6p_7.pdb #7/A TYR 99 CZ -0.255 2.955 7ow6p_7.pdb #7/B LYS 10 2HG 7ow6p_7.pdb #7/A LEU 81 1HD1 -0.262 2.262 7ow6p_7.pdb #7/B VAL 2 2HG2 7ow6p_7.pdb #7/A GLU 63 2HG -0.265 2.265 7ow6p_7.pdb #7/B GLY 7 N 7ow6p_7.pdb #7/A GLN 155 OE1 -0.266 2.971 7ow6p_7.pdb #7/B LYS 10 HA 7ow6p_7.pdb #7/A THR 143 CG2 -0.267 2.967 7ow6p_7.pdb #7/B VAL 3 CB 7ow6p_7.pdb #7/A TYR 99 CE1 -0.268 3.668 7ow6p_7.pdb #7/B VAL 1 O 7ow6p_7.pdb #7/A TYR 159 CE1 -0.268 3.448 7ow6p_7.pdb #7/B VAL 2 2HG2 7ow6p_7.pdb #7/A GLU 63 HA -0.270 2.270 7ow6p_7.pdb #7/B VAL 3 HA 7ow6p_7.pdb #7/A TYR 159 CE1 -0.270 2.970 7ow6p_7.pdb #7/B VAL 2 H 7ow6p_7.pdb #7/A GLU 63 CG -0.270 2.970 7ow6p_7.pdb #7/B VAL 1 O 7ow6p_7.pdb #7/A TYR 159 OH -0.271 2.851 7ow6p_7.pdb #7/B LYS 10 CA 7ow6p_7.pdb #7/A THR 143 HG1 -0.271 2.971 7ow6p_7.pdb #7/B LYS 10 CD 7ow6p_7.pdb #7/A TYR 123 HE2 -0.278 2.978 7ow6p_7.pdb #7/B VAL 2 CG2 7ow6p_7.pdb #7/A GLU 63 O -0.286 3.466 7ow6p_7.pdb #7/B VAL 1 CG2 7ow6p_7.pdb #7/A TYR 59 HE1 -0.287 2.987 7ow6p_7.pdb #7/B VAL 8 CG2 7ow6p_7.pdb #7/A TRP 147 HD1 -0.288 2.988 7ow6p_7.pdb #7/B VAL 1 C 7ow6p_7.pdb #7/A TYR 159 HH -0.289 2.989 7ow6p_7.pdb #7/B VAL 3 HA 7ow6p_7.pdb #7/A TYR 159 CD1 -0.290 2.990 7ow6p_7.pdb #7/B ASP 6 CG 7ow6p_7.pdb #7/A ARG 114 NH1 -0.295 3.620 7ow6p_7.pdb #7/B LYS 10 CB 7ow6p_7.pdb #7/A LEU 81 1HD2 -0.296 2.996 7ow6p_7.pdb #7/B GLY 9 CA 7ow6p_7.pdb #7/A ASP 77 OD1 -0.301 3.481 7ow6p_7.pdb #7/B ASP 6 H 7ow6p_7.pdb #7/A GLN 70 OE1 -0.302 2.382 7ow6p_7.pdb #7/B VAL 1 2HG2 7ow6p_7.pdb #7/A TYR 59 CD1 -0.305 3.005 7ow6p_7.pdb #7/B LYS 10 CA 7ow6p_7.pdb #7/A THR 143 OG1 -0.308 3.508 7ow6p_7.pdb #7/B VAL 2 1HG2 7ow6p_7.pdb #7/A VAL 67 CB -0.310 3.010 7ow6p_7.pdb #7/B LYS 10 1HG 7ow6p_7.pdb #7/A ASP 77 OD2 -0.312 2.792 7ow6p_7.pdb #7/B LYS 10 O 7ow6p_7.pdb #7/A THR 143 OG1 -0.312 2.892 7ow6p_7.pdb #7/B VAL 2 2HG2 7ow6p_7.pdb #7/A GLU 63 CG -0.314 3.014 7ow6p_7.pdb #7/B VAL 2 N 7ow6p_7.pdb #7/A GLU 63 2HG -0.322 2.947 7ow6p_7.pdb #7/B ALA 5 C 7ow6p_7.pdb #7/A GLN 155 NE2 -0.326 3.651 7ow6p_7.pdb #7/B LYS 10 O 7ow6p_7.pdb #7/A TYR 84 OH -0.327 2.907 7ow6p_7.pdb #7/B GLY 7 H 7ow6p_7.pdb #7/A GLN 155 CD -0.328 3.028 7ow6p_7.pdb #7/B ASP 6 CG 7ow6p_7.pdb #7/A ARG 114 NH2 -0.328 3.653 7ow6p_7.pdb #7/B VAL 3 2HG1 7ow6p_7.pdb #7/A TYR 9 HH -0.330 2.330 7ow6p_7.pdb #7/B VAL 8 CG1 7ow6p_7.pdb #7/A LYS 146 2HE -0.334 3.034 7ow6p_7.pdb #7/B ALA 5 HA 7ow6p_7.pdb #7/A GLN 70 OE1 -0.335 2.815 7ow6p_7.pdb #7/B LYS 10 NZ 7ow6p_7.pdb #7/A TRP 147 CZ2 -0.336 3.661 7ow6p_7.pdb #7/B VAL 3 3HG2 7ow6p_7.pdb #7/A TYR 159 CB -0.339 3.039 7ow6p_7.pdb #7/B LYS 10 O 7ow6p_7.pdb #7/A TYR 84 CZ -0.339 3.519 7ow6p_7.pdb #7/B LYS 10 2HB 7ow6p_7.pdb #7/A THR 143 OG1 -0.344 2.844 7ow6p_7.pdb #7/B VAL 2 HA 7ow6p_7.pdb #7/A TYR 99 OH -0.345 2.845 7ow6p_7.pdb #7/B LYS 10 2HD 7ow6p_7.pdb #7/A THR 143 CG2 -0.345 3.045 7ow6p_7.pdb #7/B LYS 10 NZ 7ow6p_7.pdb #7/A TRP 147 HZ2 -0.346 2.971 7ow6p_7.pdb #7/B VAL 2 1HG2 7ow6p_7.pdb #7/A GLU 63 O -0.350 2.830 7ow6p_7.pdb #7/B LYS 10 C 7ow6p_7.pdb #7/A THR 143 OG1 -0.353 3.553 7ow6p_7.pdb #7/B VAL 1 2H 7ow6p_7.pdb #7/A TYR 171 HH -0.354 2.354 7ow6p_7.pdb #7/B LYS 10 2HD 7ow6p_7.pdb #7/A TRP 147 HZ2 -0.356 2.356 7ow6p_7.pdb #7/B VAL 1 CG2 7ow6p_7.pdb #7/A TYR 59 CD1 -0.372 3.772 7ow6p_7.pdb #7/B VAL 2 CG1 7ow6p_7.pdb #7/A GLU 63 CG -0.378 3.778 7ow6p_7.pdb #7/B VAL 2 CA 7ow6p_7.pdb #7/A TYR 99 OH -0.380 3.580 7ow6p_7.pdb #7/B LYS 10 2HD 7ow6p_7.pdb #7/A THR 143 1HG2 -0.381 2.381 7ow6p_7.pdb #7/B VAL 2 HA 7ow6p_7.pdb #7/A TYR 7 CZ -0.387 3.087 7ow6p_7.pdb #7/B ALA 5 CB 7ow6p_7.pdb #7/A ALA 69 3HB -0.387 3.087 7ow6p_7.pdb #7/B VAL 3 CG1 7ow6p_7.pdb #7/A TYR 99 CE2 -0.387 3.787 7ow6p_7.pdb #7/B VAL 1 1H 7ow6p_7.pdb #7/A TRP 167 CG -0.388 3.088 7ow6p_7.pdb #7/B LYS 10 2HB 7ow6p_7.pdb #7/A LEU 81 CD2 -0.390 3.090 7ow6p_7.pdb #7/B LYS 10 CG 7ow6p_7.pdb #7/A ASP 77 OD1 -0.394 3.574 7ow6p_7.pdb #7/B VAL 1 O 7ow6p_7.pdb #7/A TYR 159 CZ -0.394 3.574 7ow6p_7.pdb #7/B LYS 10 2HZ 7ow6p_7.pdb #7/A TRP 147 HH2 -0.397 2.397 7ow6p_7.pdb #7/B VAL 2 1HG1 7ow6p_7.pdb #7/A VAL 67 CG2 -0.398 3.098 7ow6p_7.pdb #7/B VAL 2 CG1 7ow6p_7.pdb #7/A TYR 7 CD2 -0.400 3.800 142 contacts > contacts #8/B restrict #8/A interModel false intraMol false > ignoreHiddenModels true select true color #ff2600 reveal true log true Allowed overlap: -0.4 H-bond overlap reduction: 0.4 Ignore contacts between atoms separated by 4 bonds or less Detect intra-residue contacts: False Detect intra-molecule contacts: False 147 contacts atom1 atom2 overlap distance 7ow6p_8.pdb #8/B VAL 1 C 7ow6p_8.pdb #8/A TYR 7 HH 0.198 2.502 7ow6p_8.pdb #8/B VAL 1 C 7ow6p_8.pdb #8/A TYR 7 OH 0.189 3.011 7ow6p_8.pdb #8/B LYS 10 H 7ow6p_8.pdb #8/A ASP 77 CG 0.186 2.514 7ow6p_8.pdb #8/B GLY 9 O 7ow6p_8.pdb #8/A TRP 147 HE1 0.183 1.897 7ow6p_8.pdb #8/B VAL 1 O 7ow6p_8.pdb #8/A TYR 159 HH 0.183 1.897 7ow6p_8.pdb #8/B VAL 2 2HG1 7ow6p_8.pdb #8/A TYR 7 CE2 0.182 2.518 7ow6p_8.pdb #8/B LYS 10 H 7ow6p_8.pdb #8/A ASP 77 OD1 0.180 1.900 7ow6p_8.pdb #8/B LYS 10 2HZ 7ow6p_8.pdb #8/A ASP 116 OD2 0.175 1.905 7ow6p_8.pdb #8/B VAL 1 2H 7ow6p_8.pdb #8/A TYR 171 OH 0.174 1.926 7ow6p_8.pdb #8/B VAL 2 CG2 7ow6p_8.pdb #8/A ASN 66 1HB 0.144 2.556 7ow6p_8.pdb #8/B ALA 5 O 7ow6p_8.pdb #8/A GLN 155 1HE2 0.140 1.940 7ow6p_8.pdb #8/B ASP 6 OD2 7ow6p_8.pdb #8/A ARG 114 2HH2 0.140 1.940 7ow6p_8.pdb #8/B LYS 10 OXT 7ow6p_8.pdb #8/A THR 80 1HG2 0.112 2.368 7ow6p_8.pdb #8/B VAL 1 O 7ow6p_8.pdb #8/A TYR 7 HH 0.111 1.969 7ow6p_8.pdb #8/B GLY 9 C 7ow6p_8.pdb #8/A TRP 147 HE1 0.108 2.592 7ow6p_8.pdb #8/B ASP 6 H 7ow6p_8.pdb #8/A GLN 70 OE1 0.105 1.975 7ow6p_8.pdb #8/B VAL 3 HB 7ow6p_8.pdb #8/A TYR 99 CE1 0.099 2.601 7ow6p_8.pdb #8/B VAL 2 HB 7ow6p_8.pdb #8/A TYR 9 OH 0.078 2.422 7ow6p_8.pdb #8/B GLY 7 H 7ow6p_8.pdb #8/A GLN 155 OE1 0.067 2.013 7ow6p_8.pdb #8/B LYS 10 O 7ow6p_8.pdb #8/A THR 143 HG1 0.052 2.028 7ow6p_8.pdb #8/B VAL 3 H 7ow6p_8.pdb #8/A TYR 99 OH 0.046 2.054 7ow6p_8.pdb #8/B VAL 8 O 7ow6p_8.pdb #8/A TRP 147 NE1 0.026 2.679 7ow6p_8.pdb #8/B VAL 2 CG1 7ow6p_8.pdb #8/A TYR 9 HH -0.004 2.704 7ow6p_8.pdb #8/B VAL 3 2HG1 7ow6p_8.pdb #8/A TYR 99 OH -0.008 2.508 7ow6p_8.pdb #8/B LYS 10 O 7ow6p_8.pdb #8/A TYR 84 CE2 -0.020 3.200 7ow6p_8.pdb #8/B LYS 10 HA 7ow6p_8.pdb #8/A THR 143 3HG2 -0.027 2.027 7ow6p_8.pdb #8/B VAL 2 CG2 7ow6p_8.pdb #8/A ASN 66 CB -0.028 3.428 7ow6p_8.pdb #8/B LYS 10 O 7ow6p_8.pdb #8/A TYR 84 HE2 -0.035 2.515 7ow6p_8.pdb #8/B ASP 6 OD2 7ow6p_8.pdb #8/A TRP 147 CZ2 -0.039 3.219 7ow6p_8.pdb #8/B VAL 3 CG1 7ow6p_8.pdb #8/A TYR 99 CZ -0.043 3.443 7ow6p_8.pdb #8/B LYS 10 C 7ow6p_8.pdb #8/A THR 143 HG1 -0.048 2.748 7ow6p_8.pdb #8/B VAL 1 1H 7ow6p_8.pdb #8/A TRP 167 CG -0.055 2.755 7ow6p_8.pdb #8/B LYS 10 2HZ 7ow6p_8.pdb #8/A ASP 116 CG -0.073 2.773 7ow6p_8.pdb #8/B VAL 8 O 7ow6p_8.pdb #8/A TRP 147 HE1 -0.079 2.159 7ow6p_8.pdb #8/B LYS 10 HA 7ow6p_8.pdb #8/A THR 143 CG2 -0.083 2.783 7ow6p_8.pdb #8/B VAL 3 2HG1 7ow6p_8.pdb #8/A TYR 99 CZ -0.088 2.788 7ow6p_8.pdb #8/B VAL 8 1HG2 7ow6p_8.pdb #8/A ALA 150 CB -0.100 2.800 7ow6p_8.pdb #8/B VAL 2 3HG1 7ow6p_8.pdb #8/A GLU 63 CG -0.103 2.803 7ow6p_8.pdb #8/B LYS 10 2HE 7ow6p_8.pdb #8/A ILE 95 CG2 -0.105 2.805 7ow6p_8.pdb #8/B VAL 3 3HG2 7ow6p_8.pdb #8/A TYR 159 CG -0.106 2.806 7ow6p_8.pdb #8/B VAL 2 CB 7ow6p_8.pdb #8/A TYR 9 OH -0.108 3.308 7ow6p_8.pdb #8/B VAL 3 HA 7ow6p_8.pdb #8/A TYR 159 CD1 -0.113 2.813 7ow6p_8.pdb #8/B VAL 2 CG1 7ow6p_8.pdb #8/A TYR 7 CE2 -0.113 3.513 7ow6p_8.pdb #8/B GLY 9 O 7ow6p_8.pdb #8/A TRP 147 NE1 -0.117 2.822 7ow6p_8.pdb #8/B VAL 1 3HG1 7ow6p_8.pdb #8/A TRP 167 CE2 -0.127 2.827 7ow6p_8.pdb #8/B LYS 10 OXT 7ow6p_8.pdb #8/A THR 80 CG2 -0.133 3.313 7ow6p_8.pdb #8/B VAL 8 CG2 7ow6p_8.pdb #8/A ALA 150 CB -0.144 3.544 7ow6p_8.pdb #8/B ALA 5 C 7ow6p_8.pdb #8/A GLN 155 1HE2 -0.147 2.847 7ow6p_8.pdb #8/B LYS 10 N 7ow6p_8.pdb #8/A ASP 77 OD1 -0.149 2.854 7ow6p_8.pdb #8/B VAL 8 1HG2 7ow6p_8.pdb #8/A ALA 150 2HB -0.149 2.149 7ow6p_8.pdb #8/B VAL 3 1HG2 7ow6p_8.pdb #8/A GLN 156 OE1 -0.152 2.632 7ow6p_8.pdb #8/B VAL 3 H 7ow6p_8.pdb #8/A TYR 99 CZ -0.165 2.865 7ow6p_8.pdb #8/B VAL 2 2HG1 7ow6p_8.pdb #8/A TYR 7 CD2 -0.168 2.868 7ow6p_8.pdb #8/B VAL 1 O 7ow6p_8.pdb #8/A TYR 7 OH -0.168 2.748 7ow6p_8.pdb #8/B VAL 3 CB 7ow6p_8.pdb #8/A TYR 99 CE1 -0.169 3.569 7ow6p_8.pdb #8/B ALA 5 O 7ow6p_8.pdb #8/A GLN 155 NE2 -0.171 2.876 7ow6p_8.pdb #8/B ALA 5 2HB 7ow6p_8.pdb #8/A ALA 69 3HB -0.171 2.171 7ow6p_8.pdb #8/B VAL 1 2HG1 7ow6p_8.pdb #8/A TYR 59 CE1 -0.173 2.873 7ow6p_8.pdb #8/B LYS 10 1HG 7ow6p_8.pdb #8/A THR 143 1HG2 -0.174 2.174 7ow6p_8.pdb #8/B GLY 7 H 7ow6p_8.pdb #8/A GLN 155 CD -0.174 2.874 7ow6p_8.pdb #8/B VAL 1 N 7ow6p_8.pdb #8/A TYR 171 OH -0.174 2.899 7ow6p_8.pdb #8/B VAL 8 C 7ow6p_8.pdb #8/A TRP 147 HE1 -0.181 2.881 7ow6p_8.pdb #8/B LYS 10 N 7ow6p_8.pdb #8/A ASP 77 CG -0.186 3.511 7ow6p_8.pdb #8/B LYS 10 C 7ow6p_8.pdb #8/A THR 80 1HG2 -0.190 2.890 7ow6p_8.pdb #8/B VAL 2 3HG1 7ow6p_8.pdb #8/A GLU 63 2HG -0.199 2.199 7ow6p_8.pdb #8/B LYS 10 CG 7ow6p_8.pdb #8/A TRP 147 CZ2 -0.202 3.602 7ow6p_8.pdb #8/B VAL 2 CG1 7ow6p_8.pdb #8/A TYR 9 OH -0.204 3.404 7ow6p_8.pdb #8/B LYS 10 NZ 7ow6p_8.pdb #8/A ASP 116 OD2 -0.204 2.909 7ow6p_8.pdb #8/B VAL 1 O 7ow6p_8.pdb #8/A TYR 7 CZ -0.206 3.386 7ow6p_8.pdb #8/B VAL 8 O 7ow6p_8.pdb #8/A TRP 147 CD1 -0.206 3.386 7ow6p_8.pdb #8/B LYS 10 1HG 7ow6p_8.pdb #8/A TRP 147 CZ2 -0.207 2.907 7ow6p_8.pdb #8/B LYS 10 O 7ow6p_8.pdb #8/A THR 143 OG1 -0.210 2.790 7ow6p_8.pdb #8/B LYS 10 CE 7ow6p_8.pdb #8/A ILE 95 1HG2 -0.215 2.915 7ow6p_8.pdb #8/B LYS 10 O 7ow6p_8.pdb #8/A THR 80 1HG2 -0.216 2.696 7ow6p_8.pdb #8/B GLY 9 C 7ow6p_8.pdb #8/A TRP 147 NE1 -0.217 3.542 7ow6p_8.pdb #8/B ASP 6 OD2 7ow6p_8.pdb #8/A ARG 114 NH2 -0.221 2.926 7ow6p_8.pdb #8/B ASP 6 CG 7ow6p_8.pdb #8/A ARG 114 2HH2 -0.221 2.921 7ow6p_8.pdb #8/B VAL 3 3HG2 7ow6p_8.pdb #8/A TYR 159 CB -0.226 2.926 7ow6p_8.pdb #8/B VAL 1 O 7ow6p_8.pdb #8/A TYR 159 OH -0.227 2.807 7ow6p_8.pdb #8/B ALA 5 CB 7ow6p_8.pdb #8/A ALA 69 CB -0.231 3.631 7ow6p_8.pdb #8/B VAL 1 C 7ow6p_8.pdb #8/A TYR 159 HH -0.232 2.932 7ow6p_8.pdb #8/B LYS 10 1HD 7ow6p_8.pdb #8/A TYR 123 CE2 -0.239 2.939 7ow6p_8.pdb #8/B VAL 3 CG1 7ow6p_8.pdb #8/A TYR 99 OH -0.241 3.441 7ow6p_8.pdb #8/B VAL 3 HA 7ow6p_8.pdb #8/A TYR 159 CE1 -0.242 2.942 7ow6p_8.pdb #8/B VAL 1 1H 7ow6p_8.pdb #8/A TRP 167 CD2 -0.244 2.944 7ow6p_8.pdb #8/B LYS 10 CE 7ow6p_8.pdb #8/A ILE 95 CG2 -0.248 3.648 7ow6p_8.pdb #8/B VAL 3 2HG1 7ow6p_8.pdb #8/A TYR 99 HH -0.248 2.248 7ow6p_8.pdb #8/B VAL 1 O 7ow6p_8.pdb #8/A TYR 7 CE1 -0.252 3.432 7ow6p_8.pdb #8/B VAL 1 CG1 7ow6p_8.pdb #8/A TYR 59 CE1 -0.254 3.654 7ow6p_8.pdb #8/B LYS 10 CD 7ow6p_8.pdb #8/A TYR 123 CE2 -0.257 3.657 7ow6p_8.pdb #8/B VAL 3 1HG2 7ow6p_8.pdb #8/A GLN 156 1HE2 -0.260 2.260 7ow6p_8.pdb #8/B GLY 7 N 7ow6p_8.pdb #8/A GLN 155 OE1 -0.262 2.967 7ow6p_8.pdb #8/B ALA 5 2HB 7ow6p_8.pdb #8/A ALA 69 CB -0.262 2.962 7ow6p_8.pdb #8/B LYS 10 CG 7ow6p_8.pdb #8/A TRP 147 HZ2 -0.264 2.964 7ow6p_8.pdb #8/B VAL 2 HB 7ow6p_8.pdb #8/A TYR 99 OH -0.264 2.764 7ow6p_8.pdb #8/B LYS 10 1HZ 7ow6p_8.pdb #8/A ILE 97 1HD1 -0.265 2.265 7ow6p_8.pdb #8/B GLY 9 CA 7ow6p_8.pdb #8/A ASP 77 OD1 -0.265 3.445 7ow6p_8.pdb #8/B VAL 3 1HG2 7ow6p_8.pdb #8/A GLN 156 NE2 -0.269 2.894 7ow6p_8.pdb #8/B VAL 3 CB 7ow6p_8.pdb #8/A TYR 99 CZ -0.275 3.675 7ow6p_8.pdb #8/B ASP 6 N 7ow6p_8.pdb #8/A GLN 70 OE1 -0.275 2.980 7ow6p_8.pdb #8/B LYS 10 CA 7ow6p_8.pdb #8/A THR 143 HG1 -0.280 2.980 7ow6p_8.pdb #8/B LYS 10 C 7ow6p_8.pdb #8/A THR 143 OG1 -0.281 3.481 7ow6p_8.pdb #8/B VAL 2 CB 7ow6p_8.pdb #8/A TYR 9 HH -0.282 2.982 7ow6p_8.pdb #8/B VAL 3 3HG2 7ow6p_8.pdb #8/A TYR 159 CD2 -0.285 2.985 7ow6p_8.pdb #8/B LYS 10 CA 7ow6p_8.pdb #8/A THR 143 OG1 -0.288 3.488 7ow6p_8.pdb #8/B VAL 8 C 7ow6p_8.pdb #8/A TRP 147 NE1 -0.292 3.617 7ow6p_8.pdb #8/B VAL 1 2HG2 7ow6p_8.pdb #8/A TRP 167 CD1 -0.293 2.993 7ow6p_8.pdb #8/B VAL 2 HA 7ow6p_8.pdb #8/A TYR 7 CE1 -0.298 2.998 7ow6p_8.pdb #8/B VAL 3 HB 7ow6p_8.pdb #8/A TYR 99 CZ -0.301 3.001 7ow6p_8.pdb #8/B LYS 10 2HB 7ow6p_8.pdb #8/A LEU 81 1HD2 -0.301 2.301 7ow6p_8.pdb #8/B GLY 9 2HA 7ow6p_8.pdb #8/A ASP 77 OD1 -0.304 2.784 7ow6p_8.pdb #8/B VAL 2 3HG2 7ow6p_8.pdb #8/A ASN 66 CB -0.309 3.009 7ow6p_8.pdb #8/B VAL 1 1H 7ow6p_8.pdb #8/A TRP 167 CD1 -0.318 3.018 7ow6p_8.pdb #8/B VAL 8 O 7ow6p_8.pdb #8/A TRP 147 CE2 -0.320 3.500 7ow6p_8.pdb #8/B LYS 10 CE 7ow6p_8.pdb #8/A ILE 95 3HD1 -0.320 3.020 7ow6p_8.pdb #8/B VAL 2 2HG1 7ow6p_8.pdb #8/A TYR 7 CZ -0.324 3.024 7ow6p_8.pdb #8/B VAL 1 N 7ow6p_8.pdb #8/A TRP 167 CG -0.325 3.650 7ow6p_8.pdb #8/B LYS 10 2HE 7ow6p_8.pdb #8/A ILE 95 1HG2 -0.326 2.326 7ow6p_8.pdb #8/B VAL 1 3HG1 7ow6p_8.pdb #8/A TRP 167 CZ2 -0.327 3.027 7ow6p_8.pdb #8/B VAL 3 N 7ow6p_8.pdb #8/A TYR 99 OH -0.331 3.056 7ow6p_8.pdb #8/B ALA 5 HA 7ow6p_8.pdb #8/A GLN 70 OE1 -0.331 2.811 7ow6p_8.pdb #8/B LYS 10 CD 7ow6p_8.pdb #8/A TYR 123 CD2 -0.337 3.737 7ow6p_8.pdb #8/B LYS 10 1HG 7ow6p_8.pdb #8/A THR 143 CG2 -0.337 3.037 7ow6p_8.pdb #8/B VAL 2 HB 7ow6p_8.pdb #8/A TYR 9 HH -0.341 2.341 7ow6p_8.pdb #8/B VAL 2 1HG2 7ow6p_8.pdb #8/A ASN 66 1HB -0.342 2.342 7ow6p_8.pdb #8/B VAL 3 N 7ow6p_8.pdb #8/A TYR 159 CZ -0.349 3.674 7ow6p_8.pdb #8/B ALA 5 CB 7ow6p_8.pdb #8/A ALA 69 3HB -0.353 3.053 7ow6p_8.pdb #8/B VAL 3 CA 7ow6p_8.pdb #8/A TYR 159 CE1 -0.354 3.754 7ow6p_8.pdb #8/B LYS 10 O 7ow6p_8.pdb #8/A THR 80 CG2 -0.356 3.536 7ow6p_8.pdb #8/B ALA 5 C 7ow6p_8.pdb #8/A GLN 155 NE2 -0.356 3.681 7ow6p_8.pdb #8/B LYS 10 1HE 7ow6p_8.pdb #8/A ILE 95 3HD1 -0.359 2.359 7ow6p_8.pdb #8/B VAL 2 CG1 7ow6p_8.pdb #8/A GLU 63 CG -0.359 3.759 7ow6p_8.pdb #8/B VAL 2 HA 7ow6p_8.pdb #8/A TYR 7 CZ -0.365 3.065 7ow6p_8.pdb #8/B VAL 1 2H 7ow6p_8.pdb #8/A TYR 171 HH -0.365 2.365 7ow6p_8.pdb #8/B VAL 2 C 7ow6p_8.pdb #8/A TYR 159 CE1 -0.366 3.766 7ow6p_8.pdb #8/B VAL 3 1HG2 7ow6p_8.pdb #8/A GLN 156 CD -0.372 3.072 7ow6p_8.pdb #8/B VAL 1 C 7ow6p_8.pdb #8/A TYR 7 CZ -0.373 3.773 7ow6p_8.pdb #8/B LYS 10 2HE 7ow6p_8.pdb #8/A ILE 95 3HG2 -0.374 2.374 7ow6p_8.pdb #8/B ASP 6 CB 7ow6p_8.pdb #8/A GLN 70 OE1 -0.376 3.556 7ow6p_8.pdb #8/B VAL 1 2H 7ow6p_8.pdb #8/A TYR 171 CZ -0.377 3.077 7ow6p_8.pdb #8/B VAL 2 CB 7ow6p_8.pdb #8/A TYR 99 OH -0.378 3.578 7ow6p_8.pdb #8/B LYS 10 CA 7ow6p_8.pdb #8/A THR 143 CG2 -0.380 3.780 7ow6p_8.pdb #8/B LYS 10 1HD 7ow6p_8.pdb #8/A LEU 81 1HD1 -0.392 2.392 7ow6p_8.pdb #8/B VAL 3 CG2 7ow6p_8.pdb #8/A GLN 156 OE1 -0.392 3.572 7ow6p_8.pdb #8/B GLY 7 N 7ow6p_8.pdb #8/A GLN 155 1HE2 -0.395 3.020 7ow6p_8.pdb #8/B VAL 2 3HG2 7ow6p_8.pdb #8/A ASN 66 1HB -0.398 2.398 7ow6p_8.pdb #8/B VAL 3 CG1 7ow6p_8.pdb #8/A TYR 99 CE2 -0.398 3.798 147 contacts > contacts #8/B:1 restrict #8/A interModel false intraMol false > ignoreHiddenModels true select true color #ff2600 reveal true log true Allowed overlap: -0.4 H-bond overlap reduction: 0.4 Ignore contacts between atoms separated by 4 bonds or less Detect intra-residue contacts: False Detect intra-molecule contacts: False 23 contacts atom1 atom2 overlap distance 7ow6p_8.pdb #8/B VAL 1 C 7ow6p_8.pdb #8/A TYR 7 HH 0.198 2.502 7ow6p_8.pdb #8/B VAL 1 C 7ow6p_8.pdb #8/A TYR 7 OH 0.189 3.011 7ow6p_8.pdb #8/B VAL 1 O 7ow6p_8.pdb #8/A TYR 159 HH 0.183 1.897 7ow6p_8.pdb #8/B VAL 1 2H 7ow6p_8.pdb #8/A TYR 171 OH 0.174 1.926 7ow6p_8.pdb #8/B VAL 1 O 7ow6p_8.pdb #8/A TYR 7 HH 0.111 1.969 7ow6p_8.pdb #8/B VAL 1 1H 7ow6p_8.pdb #8/A TRP 167 CG -0.055 2.755 7ow6p_8.pdb #8/B VAL 1 3HG1 7ow6p_8.pdb #8/A TRP 167 CE2 -0.127 2.827 7ow6p_8.pdb #8/B VAL 1 O 7ow6p_8.pdb #8/A TYR 7 OH -0.168 2.748 7ow6p_8.pdb #8/B VAL 1 2HG1 7ow6p_8.pdb #8/A TYR 59 CE1 -0.173 2.873 7ow6p_8.pdb #8/B VAL 1 N 7ow6p_8.pdb #8/A TYR 171 OH -0.174 2.899 7ow6p_8.pdb #8/B VAL 1 O 7ow6p_8.pdb #8/A TYR 7 CZ -0.206 3.386 7ow6p_8.pdb #8/B VAL 1 O 7ow6p_8.pdb #8/A TYR 159 OH -0.227 2.807 7ow6p_8.pdb #8/B VAL 1 C 7ow6p_8.pdb #8/A TYR 159 HH -0.232 2.932 7ow6p_8.pdb #8/B VAL 1 1H 7ow6p_8.pdb #8/A TRP 167 CD2 -0.244 2.944 7ow6p_8.pdb #8/B VAL 1 O 7ow6p_8.pdb #8/A TYR 7 CE1 -0.252 3.432 7ow6p_8.pdb #8/B VAL 1 CG1 7ow6p_8.pdb #8/A TYR 59 CE1 -0.254 3.654 7ow6p_8.pdb #8/B VAL 1 2HG2 7ow6p_8.pdb #8/A TRP 167 CD1 -0.293 2.993 7ow6p_8.pdb #8/B VAL 1 1H 7ow6p_8.pdb #8/A TRP 167 CD1 -0.318 3.018 7ow6p_8.pdb #8/B VAL 1 N 7ow6p_8.pdb #8/A TRP 167 CG -0.325 3.650 7ow6p_8.pdb #8/B VAL 1 3HG1 7ow6p_8.pdb #8/A TRP 167 CZ2 -0.327 3.027 7ow6p_8.pdb #8/B VAL 1 2H 7ow6p_8.pdb #8/A TYR 171 HH -0.365 2.365 7ow6p_8.pdb #8/B VAL 1 C 7ow6p_8.pdb #8/A TYR 7 CZ -0.373 3.773 7ow6p_8.pdb #8/B VAL 1 2H 7ow6p_8.pdb #8/A TYR 171 CZ -0.377 3.077 23 contacts > contacts #9/B:1 restrict #9/A interModel false intraMol false > ignoreHiddenModels true select true color #ff2600 reveal true log true Allowed overlap: -0.4 H-bond overlap reduction: 0.4 Ignore contacts between atoms separated by 4 bonds or less Detect intra-residue contacts: False Detect intra-molecule contacts: False 16 contacts atom1 atom2 overlap distance 7ow6p_9.pdb #9/B VAL 1 O 7ow6p_9.pdb #9/A TYR 7 HH 0.180 1.900 7ow6p_9.pdb #9/B VAL 1 C 7ow6p_9.pdb #9/A TYR 7 HH 0.170 2.530 7ow6p_9.pdb #9/B VAL 1 O 7ow6p_9.pdb #9/A TYR 159 HH 0.160 1.920 7ow6p_9.pdb #9/B VAL 1 C 7ow6p_9.pdb #9/A TYR 7 OH -0.062 3.262 7ow6p_9.pdb #9/B VAL 1 2H 7ow6p_9.pdb #9/A TYR 171 OH -0.102 2.202 7ow6p_9.pdb #9/B VAL 1 HA 7ow6p_9.pdb #9/A GLU 63 OE2 -0.153 2.633 7ow6p_9.pdb #9/B VAL 1 2H 7ow6p_9.pdb #9/A TYR 171 HH -0.166 2.166 7ow6p_9.pdb #9/B VAL 1 O 7ow6p_9.pdb #9/A TYR 159 OH -0.231 2.811 7ow6p_9.pdb #9/B VAL 1 O 7ow6p_9.pdb #9/A TYR 7 OH -0.245 2.825 7ow6p_9.pdb #9/B VAL 1 CG1 7ow6p_9.pdb #9/A TYR 59 CE2 -0.252 3.652 7ow6p_9.pdb #9/B VAL 1 N 7ow6p_9.pdb #9/A TYR 171 HH -0.267 2.892 7ow6p_9.pdb #9/B VAL 1 C 7ow6p_9.pdb #9/A TYR 159 HH -0.299 2.999 7ow6p_9.pdb #9/B VAL 1 CG1 7ow6p_9.pdb #9/A TYR 59 CD2 -0.321 3.721 7ow6p_9.pdb #9/B VAL 1 2H 7ow6p_9.pdb #9/A TYR 59 HE2 -0.365 2.365 7ow6p_9.pdb #9/B VAL 1 N 7ow6p_9.pdb #9/A TYR 171 OH -0.383 3.108 7ow6p_9.pdb #9/B VAL 1 2HG1 7ow6p_9.pdb #9/A TYR 59 CE2 -0.400 3.100 16 contacts > contacts #9/B restrict #9/A interModel false intraMol false > ignoreHiddenModels true select true color #ff2600 reveal true log true Allowed overlap: -0.4 H-bond overlap reduction: 0.4 Ignore contacts between atoms separated by 4 bonds or less Detect intra-residue contacts: False Detect intra-molecule contacts: False 124 contacts atom1 atom2 overlap distance 7ow6p_9.pdb #9/B VAL 2 HB 7ow6p_9.pdb #9/A TYR 9 OH 0.265 2.235 7ow6p_9.pdb #9/B ASP 6 OD2 7ow6p_9.pdb #9/A ARG 114 2HH2 0.187 1.893 7ow6p_9.pdb #9/B VAL 1 O 7ow6p_9.pdb #9/A TYR 7 HH 0.180 1.900 7ow6p_9.pdb #9/B GLY 9 O 7ow6p_9.pdb #9/A TRP 147 HE1 0.180 1.900 7ow6p_9.pdb #9/B LYS 10 O 7ow6p_9.pdb #9/A THR 143 HG1 0.179 1.901 7ow6p_9.pdb #9/B ASP 6 OD1 7ow6p_9.pdb #9/A ARG 114 2HH1 0.179 1.901 7ow6p_9.pdb #9/B LYS 10 H 7ow6p_9.pdb #9/A ASP 77 OD1 0.171 1.909 7ow6p_9.pdb #9/B VAL 1 C 7ow6p_9.pdb #9/A TYR 7 HH 0.170 2.530 7ow6p_9.pdb #9/B ALA 5 O 7ow6p_9.pdb #9/A GLN 155 1HE2 0.162 1.918 7ow6p_9.pdb #9/B VAL 1 O 7ow6p_9.pdb #9/A TYR 159 HH 0.160 1.920 7ow6p_9.pdb #9/B LYS 10 1HZ 7ow6p_9.pdb #9/A ASP 116 OD2 0.156 1.924 7ow6p_9.pdb #9/B VAL 2 2HG1 7ow6p_9.pdb #9/A TYR 7 CE2 0.152 2.548 7ow6p_9.pdb #9/B GLY 7 H 7ow6p_9.pdb #9/A GLN 155 OE1 0.123 1.957 7ow6p_9.pdb #9/B VAL 2 CG2 7ow6p_9.pdb #9/A ASN 66 1HB 0.114 2.586 7ow6p_9.pdb #9/B VAL 3 H 7ow6p_9.pdb #9/A TYR 99 OH 0.094 2.006 7ow6p_9.pdb #9/B ASP 6 CG 7ow6p_9.pdb #9/A ARG 114 2HH1 0.057 2.643 7ow6p_9.pdb #9/B LYS 10 OXT 7ow6p_9.pdb #9/A THR 80 1HG2 0.054 2.426 7ow6p_9.pdb #9/B VAL 2 H 7ow6p_9.pdb #9/A GLU 63 2HG 0.041 1.959 7ow6p_9.pdb #9/B VAL 3 HB 7ow6p_9.pdb #9/A TYR 99 CE1 0.036 2.664 7ow6p_9.pdb #9/B GLY 9 C 7ow6p_9.pdb #9/A TRP 147 HE1 0.004 2.696 7ow6p_9.pdb #9/B VAL 3 2HG1 7ow6p_9.pdb #9/A TYR 99 OH -0.007 2.507 7ow6p_9.pdb #9/B LYS 10 HA 7ow6p_9.pdb #9/A THR 143 3HG2 -0.023 2.023 7ow6p_9.pdb #9/B LYS 10 1HZ 7ow6p_9.pdb #9/A ASP 116 CG -0.028 2.728 7ow6p_9.pdb #9/B VAL 2 CB 7ow6p_9.pdb #9/A TYR 9 OH -0.031 3.231 7ow6p_9.pdb #9/B LYS 10 C 7ow6p_9.pdb #9/A THR 143 HG1 -0.036 2.736 7ow6p_9.pdb #9/B VAL 2 3HG1 7ow6p_9.pdb #9/A GLU 63 CG -0.044 2.744 7ow6p_9.pdb #9/B LYS 10 NZ 7ow6p_9.pdb #9/A ASP 116 OD2 -0.049 2.754 7ow6p_9.pdb #9/B VAL 2 CG2 7ow6p_9.pdb #9/A ASN 66 CB -0.051 3.451 7ow6p_9.pdb #9/B VAL 3 CG1 7ow6p_9.pdb #9/A TYR 99 CZ -0.055 3.455 7ow6p_9.pdb #9/B VAL 2 2HG1 7ow6p_9.pdb #9/A TYR 7 CD2 -0.056 2.756 7ow6p_9.pdb #9/B VAL 1 C 7ow6p_9.pdb #9/A TYR 7 OH -0.062 3.262 7ow6p_9.pdb #9/B ASP 6 CG 7ow6p_9.pdb #9/A ARG 114 2HH2 -0.067 2.767 7ow6p_9.pdb #9/B ALA 5 C 7ow6p_9.pdb #9/A GLN 155 1HE2 -0.079 2.779 7ow6p_9.pdb #9/B VAL 3 3HG2 7ow6p_9.pdb #9/A TYR 159 CG -0.084 2.784 7ow6p_9.pdb #9/B LYS 10 O 7ow6p_9.pdb #9/A TYR 84 HE2 -0.093 2.573 7ow6p_9.pdb #9/B VAL 1 2H 7ow6p_9.pdb #9/A TYR 171 OH -0.102 2.202 7ow6p_9.pdb #9/B ALA 5 O 7ow6p_9.pdb #9/A GLN 155 NE2 -0.134 2.839 7ow6p_9.pdb #9/B VAL 3 2HG1 7ow6p_9.pdb #9/A TYR 99 CZ -0.138 2.838 7ow6p_9.pdb #9/B LYS 10 H 7ow6p_9.pdb #9/A ASP 77 CG -0.149 2.849 7ow6p_9.pdb #9/B VAL 1 HA 7ow6p_9.pdb #9/A GLU 63 OE2 -0.153 2.633 7ow6p_9.pdb #9/B VAL 2 CG1 7ow6p_9.pdb #9/A TYR 7 CE2 -0.157 3.557 7ow6p_9.pdb #9/B GLY 9 O 7ow6p_9.pdb #9/A TRP 147 NE1 -0.159 2.864 7ow6p_9.pdb #9/B VAL 8 3HG2 7ow6p_9.pdb #9/A TRP 147 CD1 -0.166 2.866 7ow6p_9.pdb #9/B VAL 1 2H 7ow6p_9.pdb #9/A TYR 171 HH -0.166 2.166 7ow6p_9.pdb #9/B GLY 7 N 7ow6p_9.pdb #9/A GLN 155 OE1 -0.172 2.877 7ow6p_9.pdb #9/B VAL 3 HA 7ow6p_9.pdb #9/A TYR 159 CE1 -0.183 2.883 7ow6p_9.pdb #9/B VAL 2 3HG2 7ow6p_9.pdb #9/A ASN 66 CB -0.190 2.890 7ow6p_9.pdb #9/B ASP 6 OD2 7ow6p_9.pdb #9/A ARG 114 NH2 -0.193 2.898 7ow6p_9.pdb #9/B LYS 10 O 7ow6p_9.pdb #9/A TYR 84 CE2 -0.194 3.374 7ow6p_9.pdb #9/B LYS 10 CE 7ow6p_9.pdb #9/A ASP 116 OD2 -0.194 3.374 7ow6p_9.pdb #9/B VAL 3 CG1 7ow6p_9.pdb #9/A TYR 99 OH -0.200 3.400 7ow6p_9.pdb #9/B VAL 8 CG2 7ow6p_9.pdb #9/A TRP 147 CD1 -0.201 3.601 7ow6p_9.pdb #9/B ASP 6 OD1 7ow6p_9.pdb #9/A ARG 114 NH1 -0.205 2.910 7ow6p_9.pdb #9/B LYS 10 N 7ow6p_9.pdb #9/A ASP 77 OD1 -0.206 2.911 7ow6p_9.pdb #9/B VAL 8 1HG1 7ow6p_9.pdb #9/A LYS 146 2HE -0.206 2.206 7ow6p_9.pdb #9/B VAL 8 1HG2 7ow6p_9.pdb #9/A LYS 146 2HG -0.210 2.210 7ow6p_9.pdb #9/B LYS 10 HA 7ow6p_9.pdb #9/A THR 143 CG2 -0.213 2.913 7ow6p_9.pdb #9/B VAL 2 N 7ow6p_9.pdb #9/A GLU 63 2HG -0.214 2.839 7ow6p_9.pdb #9/B VAL 1 O 7ow6p_9.pdb #9/A TYR 159 OH -0.231 2.811 7ow6p_9.pdb #9/B LYS 10 C 7ow6p_9.pdb #9/A THR 80 1HG2 -0.232 2.932 7ow6p_9.pdb #9/B VAL 3 HA 7ow6p_9.pdb #9/A TYR 159 CD1 -0.238 2.938 7ow6p_9.pdb #9/B VAL 2 1HG2 7ow6p_9.pdb #9/A VAL 67 N -0.238 2.863 7ow6p_9.pdb #9/B GLY 7 H 7ow6p_9.pdb #9/A GLN 155 CD -0.240 2.940 7ow6p_9.pdb #9/B VAL 1 O 7ow6p_9.pdb #9/A TYR 7 OH -0.245 2.825 7ow6p_9.pdb #9/B VAL 3 CB 7ow6p_9.pdb #9/A TYR 99 CE1 -0.247 3.647 7ow6p_9.pdb #9/B VAL 3 H 7ow6p_9.pdb #9/A TYR 99 CZ -0.249 2.949 7ow6p_9.pdb #9/B VAL 1 CG1 7ow6p_9.pdb #9/A TYR 59 CE2 -0.252 3.652 7ow6p_9.pdb #9/B LYS 10 2HD 7ow6p_9.pdb #9/A LEU 81 1HD2 -0.253 2.253 7ow6p_9.pdb #9/B VAL 2 3HG2 7ow6p_9.pdb #9/A ASN 66 1HB -0.255 2.255 7ow6p_9.pdb #9/B LYS 10 O 7ow6p_9.pdb #9/A THR 143 OG1 -0.256 2.836 7ow6p_9.pdb #9/B VAL 1 N 7ow6p_9.pdb #9/A TYR 171 HH -0.267 2.892 7ow6p_9.pdb #9/B VAL 3 CB 7ow6p_9.pdb #9/A TYR 99 CZ -0.270 3.670 7ow6p_9.pdb #9/B LYS 10 2HB 7ow6p_9.pdb #9/A LEU 81 1HD1 -0.271 2.271 7ow6p_9.pdb #9/B VAL 3 HB 7ow6p_9.pdb #9/A TYR 99 CZ -0.273 2.973 7ow6p_9.pdb #9/B ASP 6 CG 7ow6p_9.pdb #9/A ARG 114 NH1 -0.275 3.600 7ow6p_9.pdb #9/B VAL 2 3HG1 7ow6p_9.pdb #9/A GLU 63 2HG -0.278 2.278 7ow6p_9.pdb #9/B VAL 2 HB 7ow6p_9.pdb #9/A TYR 99 OH -0.281 2.781 7ow6p_9.pdb #9/B ALA 5 C 7ow6p_9.pdb #9/A GLN 155 NE2 -0.282 3.607 7ow6p_9.pdb #9/B VAL 3 N 7ow6p_9.pdb #9/A TYR 99 OH -0.286 3.011 7ow6p_9.pdb #9/B VAL 8 CG1 7ow6p_9.pdb #9/A LYS 146 2HE -0.289 2.989 7ow6p_9.pdb #9/B LYS 10 CG 7ow6p_9.pdb #9/A ASP 77 CG -0.294 3.694 7ow6p_9.pdb #9/B ALA 5 HA 7ow6p_9.pdb #9/A GLN 70 OE1 -0.297 2.777 7ow6p_9.pdb #9/B VAL 1 C 7ow6p_9.pdb #9/A TYR 159 HH -0.299 2.999 7ow6p_9.pdb #9/B ALA 5 2HB 7ow6p_9.pdb #9/A ALA 69 CB -0.302 3.002 7ow6p_9.pdb #9/B VAL 3 3HG2 7ow6p_9.pdb #9/A TYR 159 CB -0.305 3.005 7ow6p_9.pdb #9/B LYS 10 1HD 7ow6p_9.pdb #9/A ASP 77 2HB -0.309 2.309 7ow6p_9.pdb #9/B ALA 5 CB 7ow6p_9.pdb #9/A ALA 69 CB -0.311 3.711 7ow6p_9.pdb #9/B LYS 10 OXT 7ow6p_9.pdb #9/A THR 80 CG2 -0.319 3.499 7ow6p_9.pdb #9/B VAL 1 CG1 7ow6p_9.pdb #9/A TYR 59 CD2 -0.321 3.721 7ow6p_9.pdb #9/B LYS 10 NZ 7ow6p_9.pdb #9/A ASP 116 CG -0.326 3.651 7ow6p_9.pdb #9/B ALA 5 2HB 7ow6p_9.pdb #9/A ALA 69 3HB -0.330 2.330 7ow6p_9.pdb #9/B LYS 10 1HB 7ow6p_9.pdb #9/A ASP 77 OD1 -0.333 2.813 7ow6p_9.pdb #9/B VAL 2 H 7ow6p_9.pdb #9/A GLU 63 CG -0.336 3.036 7ow6p_9.pdb #9/B ASP 6 HA 7ow6p_9.pdb #9/A GLN 155 OE1 -0.336 2.816 7ow6p_9.pdb #9/B VAL 8 3HG2 7ow6p_9.pdb #9/A TRP 147 NE1 -0.339 2.964 7ow6p_9.pdb #9/B VAL 2 1HG2 7ow6p_9.pdb #9/A VAL 67 CB -0.341 3.041 7ow6p_9.pdb #9/B VAL 8 CG2 7ow6p_9.pdb #9/A ALA 150 CB -0.342 3.742 7ow6p_9.pdb #9/B LYS 10 2HG 7ow6p_9.pdb #9/A ASP 77 CG -0.347 3.047 7ow6p_9.pdb #9/B VAL 8 CG2 7ow6p_9.pdb #9/A TRP 147 HD1 -0.347 3.047 7ow6p_9.pdb #9/B LYS 10 CB 7ow6p_9.pdb #9/A LEU 81 CD1 -0.353 3.753 7ow6p_9.pdb #9/B VAL 2 1HG2 7ow6p_9.pdb #9/A VAL 67 HB -0.355 2.355 7ow6p_9.pdb #9/B VAL 2 HA 7ow6p_9.pdb #9/A TYR 7 CZ -0.356 3.056 7ow6p_9.pdb #9/B VAL 3 CA 7ow6p_9.pdb #9/A TYR 159 CE1 -0.364 3.764 7ow6p_9.pdb #9/B VAL 1 2H 7ow6p_9.pdb #9/A TYR 59 HE2 -0.365 2.365 7ow6p_9.pdb #9/B LYS 10 2HB 7ow6p_9.pdb #9/A LEU 81 CD1 -0.366 3.066 7ow6p_9.pdb #9/B ASP 6 CG 7ow6p_9.pdb #9/A ARG 114 NH2 -0.366 3.691 7ow6p_9.pdb #9/B VAL 3 2HG1 7ow6p_9.pdb #9/A TYR 9 HH -0.367 2.367 7ow6p_9.pdb #9/B LYS 10 CB 7ow6p_9.pdb #9/A ASP 77 OD1 -0.370 3.550 7ow6p_9.pdb #9/B LYS 10 2HD 7ow6p_9.pdb #9/A LEU 81 CD2 -0.371 3.071 7ow6p_9.pdb #9/B GLY 9 C 7ow6p_9.pdb #9/A TRP 147 NE1 -0.372 3.697 7ow6p_9.pdb #9/B LYS 10 CA 7ow6p_9.pdb #9/A THR 143 3HG2 -0.373 3.073 7ow6p_9.pdb #9/B LYS 10 2HB 7ow6p_9.pdb #9/A THR 143 OG1 -0.376 2.876 7ow6p_9.pdb #9/B VAL 2 CG1 7ow6p_9.pdb #9/A GLU 63 CG -0.378 3.778 7ow6p_9.pdb #9/B LYS 10 CA 7ow6p_9.pdb #9/A THR 143 HG1 -0.379 3.079 7ow6p_9.pdb #9/B VAL 1 N 7ow6p_9.pdb #9/A TYR 171 OH -0.383 3.108 7ow6p_9.pdb #9/B VAL 2 1HG2 7ow6p_9.pdb #9/A VAL 67 CA -0.385 3.085 7ow6p_9.pdb #9/B GLY 7 N 7ow6p_9.pdb #9/A GLN 155 CD -0.388 3.713 7ow6p_9.pdb #9/B LYS 10 1HB 7ow6p_9.pdb #9/A ASP 77 CG -0.390 3.090 7ow6p_9.pdb #9/B LYS 10 C 7ow6p_9.pdb #9/A THR 143 OG1 -0.394 3.594 7ow6p_9.pdb #9/B LYS 10 1HD 7ow6p_9.pdb #9/A ASP 77 CG -0.394 3.094 7ow6p_9.pdb #9/B VAL 3 3HG2 7ow6p_9.pdb #9/A TYR 159 CD2 -0.395 3.095 7ow6p_9.pdb #9/B VAL 2 2HG2 7ow6p_9.pdb #9/A ASN 66 1HB -0.399 2.399 7ow6p_9.pdb #9/B VAL 1 2HG1 7ow6p_9.pdb #9/A TYR 59 CE2 -0.400 3.100 7ow6p_9.pdb #9/B LYS 10 CD 7ow6p_9.pdb #9/A LEU 81 CD2 -0.400 3.800 124 contacts > contacts #10/B restrict #10/A interModel false intraMol false > ignoreHiddenModels true select true color #ff2600 reveal true log true Allowed overlap: -0.4 H-bond overlap reduction: 0.4 Ignore contacts between atoms separated by 4 bonds or less Detect intra-residue contacts: False Detect intra-molecule contacts: False 187 contacts atom1 atom2 overlap distance 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 159 HH 0.243 1.837 7ow6p_10.pdb #10/B VAL 2 H 7ow6p_10.pdb #10/A GLU 63 OE1 0.208 1.872 7ow6p_10.pdb #10/B ASP 6 OD2 7ow6p_10.pdb #10/A ARG 114 2HH2 0.181 1.899 7ow6p_10.pdb #10/B ASP 6 OD1 7ow6p_10.pdb #10/A ARG 114 2HH1 0.180 1.900 7ow6p_10.pdb #10/B GLY 9 O 7ow6p_10.pdb #10/A TRP 147 HE1 0.178 1.902 7ow6p_10.pdb #10/B LYS 10 H 7ow6p_10.pdb #10/A ASP 77 OD1 0.177 1.903 7ow6p_10.pdb #10/B LYS 10 O 7ow6p_10.pdb #10/A THR 143 HG1 0.174 1.906 7ow6p_10.pdb #10/B VAL 1 C 7ow6p_10.pdb #10/A TYR 7 OH 0.154 3.046 7ow6p_10.pdb #10/B VAL 1 2H 7ow6p_10.pdb #10/A TYR 171 OH 0.153 1.947 7ow6p_10.pdb #10/B VAL 2 CG1 7ow6p_10.pdb #10/A TYR 9 HH 0.149 2.551 7ow6p_10.pdb #10/B LYS 10 1HZ 7ow6p_10.pdb #10/A ASP 116 OD2 0.140 1.940 7ow6p_10.pdb #10/B LYS 10 1HG 7ow6p_10.pdb #10/A ASP 77 CG 0.138 2.562 7ow6p_10.pdb #10/B VAL 2 2HG1 7ow6p_10.pdb #10/A TYR 7 CE2 0.119 2.581 7ow6p_10.pdb #10/B VAL 1 3HG1 7ow6p_10.pdb #10/A TRP 167 CE2 0.114 2.586 7ow6p_10.pdb #10/B LYS 10 1HD 7ow6p_10.pdb #10/A TYR 123 CE2 0.111 2.589 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A GLU 63 OE2 0.111 3.069 7ow6p_10.pdb #10/B VAL 3 H 7ow6p_10.pdb #10/A TYR 99 OH 0.106 1.994 7ow6p_10.pdb #10/B ASP 6 CG 7ow6p_10.pdb #10/A ARG 114 2HH2 0.103 2.597 7ow6p_10.pdb #10/B ALA 5 O 7ow6p_10.pdb #10/A GLN 155 1HE2 0.083 1.997 7ow6p_10.pdb #10/B VAL 3 H 7ow6p_10.pdb #10/A TYR 99 CZ 0.075 2.625 7ow6p_10.pdb #10/B VAL 2 HB 7ow6p_10.pdb #10/A TYR 9 OH 0.075 2.425 7ow6p_10.pdb #10/B VAL 1 CB 7ow6p_10.pdb #10/A GLU 63 OE2 0.075 3.105 7ow6p_10.pdb #10/B VAL 1 HB 7ow6p_10.pdb #10/A GLU 63 OE2 0.063 2.417 7ow6p_10.pdb #10/B ASP 6 H 7ow6p_10.pdb #10/A GLN 70 OE1 0.060 2.020 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A TRP 167 CE2 0.038 3.362 7ow6p_10.pdb #10/B VAL 3 1HG2 7ow6p_10.pdb #10/A GLN 156 NE2 0.038 2.587 7ow6p_10.pdb #10/B VAL 2 CG2 7ow6p_10.pdb #10/A ASN 66 1HB 0.035 2.665 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 7 CE1 0.015 3.165 7ow6p_10.pdb #10/B LYS 10 C 7ow6p_10.pdb #10/A THR 143 HG1 0.011 2.689 7ow6p_10.pdb #10/B VAL 1 2HG1 7ow6p_10.pdb #10/A GLU 63 OE2 0.009 2.471 7ow6p_10.pdb #10/B VAL 3 1HG2 7ow6p_10.pdb #10/A GLN 156 1HE2 0.008 1.992 7ow6p_10.pdb #10/B LYS 10 1HD 7ow6p_10.pdb #10/A TYR 123 HE2 0.005 1.995 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 7 HE1 0.001 2.479 7ow6p_10.pdb #10/B VAL 1 3HG1 7ow6p_10.pdb #10/A TRP 167 CD2 -0.000 2.700 7ow6p_10.pdb #10/B VAL 1 2HG2 7ow6p_10.pdb #10/A TRP 167 CD1 -0.001 2.701 7ow6p_10.pdb #10/B VAL 2 CG1 7ow6p_10.pdb #10/A TYR 9 OH -0.004 3.204 7ow6p_10.pdb #10/B GLY 9 C 7ow6p_10.pdb #10/A TRP 147 HE1 -0.016 2.716 7ow6p_10.pdb #10/B LYS 10 NZ 7ow6p_10.pdb #10/A ASP 116 OD2 -0.021 2.726 7ow6p_10.pdb #10/B LYS 10 O 7ow6p_10.pdb #10/A TYR 84 HE2 -0.026 2.506 7ow6p_10.pdb #10/B VAL 3 HB 7ow6p_10.pdb #10/A TYR 99 CE1 -0.037 2.737 7ow6p_10.pdb #10/B VAL 2 3HG1 7ow6p_10.pdb #10/A GLU 63 OE1 -0.042 2.522 7ow6p_10.pdb #10/B VAL 2 CB 7ow6p_10.pdb #10/A TYR 9 OH -0.043 3.243 7ow6p_10.pdb #10/B VAL 1 HA 7ow6p_10.pdb #10/A GLU 63 OE1 -0.047 2.527 7ow6p_10.pdb #10/B LYS 10 CG 7ow6p_10.pdb #10/A ASP 77 CG -0.052 3.452 7ow6p_10.pdb #10/B LYS 10 OXT 7ow6p_10.pdb #10/A THR 80 1HG2 -0.057 2.537 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A TRP 167 NE1 -0.062 3.387 7ow6p_10.pdb #10/B LYS 10 H 7ow6p_10.pdb #10/A ASP 77 CG -0.063 2.763 7ow6p_10.pdb #10/B VAL 3 2HG1 7ow6p_10.pdb #10/A TYR 99 CZ -0.069 2.769 7ow6p_10.pdb #10/B VAL 1 1H 7ow6p_10.pdb #10/A TRP 167 CG -0.072 2.772 7ow6p_10.pdb #10/B VAL 2 CG2 7ow6p_10.pdb #10/A ASN 66 CB -0.075 3.475 7ow6p_10.pdb #10/B LYS 10 2HZ 7ow6p_10.pdb #10/A TRP 147 CZ2 -0.076 2.776 7ow6p_10.pdb #10/B VAL 2 2HG2 7ow6p_10.pdb #10/A GLU 63 OE1 -0.083 2.563 7ow6p_10.pdb #10/B ASP 6 CG 7ow6p_10.pdb #10/A ARG 114 2HH1 -0.086 2.786 7ow6p_10.pdb #10/B VAL 3 HA 7ow6p_10.pdb #10/A TYR 159 CD1 -0.096 2.796 7ow6p_10.pdb #10/B LYS 10 O 7ow6p_10.pdb #10/A TYR 84 CE2 -0.098 3.278 7ow6p_10.pdb #10/B LYS 10 2HZ 7ow6p_10.pdb #10/A TRP 147 HZ2 -0.098 2.098 7ow6p_10.pdb #10/B VAL 2 CG1 7ow6p_10.pdb #10/A TYR 7 CE2 -0.100 3.500 7ow6p_10.pdb #10/B LYS 10 2HB 7ow6p_10.pdb #10/A LEU 81 1HD2 -0.102 2.102 7ow6p_10.pdb #10/B GLY 9 O 7ow6p_10.pdb #10/A TRP 147 NE1 -0.103 2.808 7ow6p_10.pdb #10/B VAL 1 CA 7ow6p_10.pdb #10/A GLU 63 OE1 -0.116 3.296 7ow6p_10.pdb #10/B VAL 3 CG1 7ow6p_10.pdb #10/A TYR 99 CZ -0.116 3.516 7ow6p_10.pdb #10/B VAL 1 3HG1 7ow6p_10.pdb #10/A TRP 167 NE1 -0.120 2.745 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 159 HE1 -0.128 2.608 7ow6p_10.pdb #10/B VAL 2 N 7ow6p_10.pdb #10/A GLU 63 OE1 -0.137 2.842 7ow6p_10.pdb #10/B VAL 2 H 7ow6p_10.pdb #10/A GLU 63 CD -0.149 2.849 7ow6p_10.pdb #10/B VAL 3 H 7ow6p_10.pdb #10/A TYR 99 CE1 -0.149 2.849 7ow6p_10.pdb #10/B VAL 1 1H 7ow6p_10.pdb #10/A TRP 167 CB -0.150 2.850 7ow6p_10.pdb #10/B VAL 8 1HG2 7ow6p_10.pdb #10/A ALA 150 2HB -0.151 2.151 7ow6p_10.pdb #10/B LYS 10 C 7ow6p_10.pdb #10/A THR 80 1HG2 -0.155 2.855 7ow6p_10.pdb #10/B VAL 3 3HG2 7ow6p_10.pdb #10/A TYR 159 CG -0.157 2.857 7ow6p_10.pdb #10/B LYS 10 HA 7ow6p_10.pdb #10/A THR 143 3HG2 -0.158 2.158 7ow6p_10.pdb #10/B VAL 2 HB 7ow6p_10.pdb #10/A TYR 99 OH -0.158 2.658 7ow6p_10.pdb #10/B VAL 2 CA 7ow6p_10.pdb #10/A TYR 99 OH -0.159 3.359 7ow6p_10.pdb #10/B VAL 2 2HG1 7ow6p_10.pdb #10/A TYR 7 CD2 -0.163 2.863 7ow6p_10.pdb #10/B LYS 10 2HG 7ow6p_10.pdb #10/A LEU 81 1HD1 -0.164 2.164 7ow6p_10.pdb #10/B VAL 3 2HG1 7ow6p_10.pdb #10/A TYR 99 OH -0.168 2.668 7ow6p_10.pdb #10/B LYS 10 CE 7ow6p_10.pdb #10/A ASP 116 OD2 -0.169 3.349 7ow6p_10.pdb #10/B VAL 2 1HG2 7ow6p_10.pdb #10/A ASN 66 1HB -0.169 2.169 7ow6p_10.pdb #10/B VAL 8 1HG2 7ow6p_10.pdb #10/A ALA 150 CB -0.170 2.870 7ow6p_10.pdb #10/B VAL 2 HA 7ow6p_10.pdb #10/A TYR 99 OH -0.171 2.671 7ow6p_10.pdb #10/B LYS 10 1HZ 7ow6p_10.pdb #10/A ASP 116 CG -0.172 2.872 7ow6p_10.pdb #10/B VAL 3 1HG2 7ow6p_10.pdb #10/A GLN 156 OE1 -0.174 2.654 7ow6p_10.pdb #10/B VAL 1 CG2 7ow6p_10.pdb #10/A TRP 167 CD1 -0.174 3.574 7ow6p_10.pdb #10/B VAL 1 CA 7ow6p_10.pdb #10/A TYR 7 OH -0.175 3.375 7ow6p_10.pdb #10/B VAL 2 2HG1 7ow6p_10.pdb #10/A TYR 9 HH -0.178 2.178 7ow6p_10.pdb #10/B VAL 2 CB 7ow6p_10.pdb #10/A TYR 99 OH -0.179 3.379 7ow6p_10.pdb #10/B VAL 3 3HG2 7ow6p_10.pdb #10/A TYR 159 CB -0.183 2.883 7ow6p_10.pdb #10/B ASP 6 OD2 7ow6p_10.pdb #10/A ARG 114 NH2 -0.184 2.889 7ow6p_10.pdb #10/B ASP 6 1HB 7ow6p_10.pdb #10/A THR 73 1HG2 -0.187 2.187 7ow6p_10.pdb #10/B VAL 3 1HG2 7ow6p_10.pdb #10/A GLN 156 CD -0.188 2.888 7ow6p_10.pdb #10/B VAL 1 CB 7ow6p_10.pdb #10/A GLU 63 CD -0.189 3.589 7ow6p_10.pdb #10/B VAL 1 C 7ow6p_10.pdb #10/A TYR 7 CZ -0.197 3.597 7ow6p_10.pdb #10/B ASP 6 OD1 7ow6p_10.pdb #10/A ARG 114 NH1 -0.197 2.902 7ow6p_10.pdb #10/B LYS 10 HA 7ow6p_10.pdb #10/A THR 143 CG2 -0.199 2.899 7ow6p_10.pdb #10/B ALA 5 C 7ow6p_10.pdb #10/A GLN 155 1HE2 -0.200 2.900 7ow6p_10.pdb #10/B VAL 1 2H 7ow6p_10.pdb #10/A TYR 171 CZ -0.202 2.902 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 159 CE1 -0.202 3.382 7ow6p_10.pdb #10/B LYS 10 N 7ow6p_10.pdb #10/A ASP 77 OD1 -0.203 2.908 7ow6p_10.pdb #10/B VAL 1 N 7ow6p_10.pdb #10/A TYR 171 OH -0.203 2.928 7ow6p_10.pdb #10/B LYS 10 CD 7ow6p_10.pdb #10/A TYR 123 CE2 -0.204 3.604 7ow6p_10.pdb #10/B VAL 8 O 7ow6p_10.pdb #10/A TRP 147 NE1 -0.210 2.915 7ow6p_10.pdb #10/B ALA 5 O 7ow6p_10.pdb #10/A GLN 155 NE2 -0.211 2.916 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 159 OH -0.216 2.796 7ow6p_10.pdb #10/B VAL 1 HA 7ow6p_10.pdb #10/A GLU 63 CD -0.216 2.916 7ow6p_10.pdb #10/B VAL 1 2HG1 7ow6p_10.pdb #10/A TYR 59 CE1 -0.219 2.919 7ow6p_10.pdb #10/B VAL 8 CG2 7ow6p_10.pdb #10/A ALA 150 CB -0.219 3.619 7ow6p_10.pdb #10/B ALA 5 CB 7ow6p_10.pdb #10/A ALA 69 CB -0.220 3.620 7ow6p_10.pdb #10/B LYS 10 CD 7ow6p_10.pdb #10/A THR 143 1HG2 -0.221 2.921 7ow6p_10.pdb #10/B VAL 8 O 7ow6p_10.pdb #10/A TRP 147 HE1 -0.222 2.302 7ow6p_10.pdb #10/B ASP 6 OD2 7ow6p_10.pdb #10/A GLN 70 1HE2 -0.228 2.308 7ow6p_10.pdb #10/B VAL 1 3HG1 7ow6p_10.pdb #10/A TRP 167 CG -0.234 2.934 7ow6p_10.pdb #10/B ASP 6 CG 7ow6p_10.pdb #10/A ARG 114 NH2 -0.235 3.560 7ow6p_10.pdb #10/B VAL 1 3HG1 7ow6p_10.pdb #10/A TRP 167 CD1 -0.241 2.941 7ow6p_10.pdb #10/B VAL 2 HA 7ow6p_10.pdb #10/A TYR 7 CE1 -0.247 2.947 7ow6p_10.pdb #10/B LYS 10 CB 7ow6p_10.pdb #10/A LEU 81 1HD2 -0.253 2.953 7ow6p_10.pdb #10/B ASP 6 CG 7ow6p_10.pdb #10/A GLN 70 OE1 -0.255 3.435 7ow6p_10.pdb #10/B VAL 3 CB 7ow6p_10.pdb #10/A TYR 99 CE1 -0.258 3.658 7ow6p_10.pdb #10/B VAL 3 3HG2 7ow6p_10.pdb #10/A TYR 159 CD2 -0.259 2.959 7ow6p_10.pdb #10/B LYS 10 2HZ 7ow6p_10.pdb #10/A TRP 147 CH2 -0.259 2.959 7ow6p_10.pdb #10/B LYS 10 O 7ow6p_10.pdb #10/A THR 143 OG1 -0.261 2.841 7ow6p_10.pdb #10/B VAL 1 C 7ow6p_10.pdb #10/A TYR 7 CE1 -0.263 3.663 7ow6p_10.pdb #10/B VAL 3 N 7ow6p_10.pdb #10/A TYR 99 OH -0.264 2.989 7ow6p_10.pdb #10/B VAL 3 N 7ow6p_10.pdb #10/A TYR 99 CZ -0.268 3.593 7ow6p_10.pdb #10/B ALA 5 CB 7ow6p_10.pdb #10/A ALA 69 3HB -0.270 2.970 7ow6p_10.pdb #10/B VAL 1 2HG1 7ow6p_10.pdb #10/A GLU 63 CD -0.272 2.972 7ow6p_10.pdb #10/B ALA 5 HA 7ow6p_10.pdb #10/A GLN 70 OE1 -0.274 2.754 7ow6p_10.pdb #10/B VAL 2 1HG2 7ow6p_10.pdb #10/A ASN 66 CB -0.279 2.979 7ow6p_10.pdb #10/B LYS 10 1HG 7ow6p_10.pdb #10/A ASP 77 OD2 -0.280 2.760 7ow6p_10.pdb #10/B GLY 4 C 7ow6p_10.pdb #10/A GLN 155 NE2 -0.282 3.607 7ow6p_10.pdb #10/B GLY 9 CA 7ow6p_10.pdb #10/A ASP 77 OD1 -0.283 3.463 7ow6p_10.pdb #10/B VAL 1 3HG2 7ow6p_10.pdb #10/A TYR 159 HE1 -0.285 2.285 7ow6p_10.pdb #10/B LYS 10 2HB 7ow6p_10.pdb #10/A LEU 81 CD2 -0.286 2.986 7ow6p_10.pdb #10/B ASP 6 CG 7ow6p_10.pdb #10/A GLN 70 1HE2 -0.287 2.987 7ow6p_10.pdb #10/B LYS 10 CA 7ow6p_10.pdb #10/A THR 143 HG1 -0.287 2.987 7ow6p_10.pdb #10/B ALA 5 2HB 7ow6p_10.pdb #10/A ALA 69 3HB -0.288 2.288 7ow6p_10.pdb #10/B VAL 1 CA 7ow6p_10.pdb #10/A GLU 63 CD -0.288 3.688 7ow6p_10.pdb #10/B LYS 10 CD 7ow6p_10.pdb #10/A TYR 123 HE2 -0.290 2.990 7ow6p_10.pdb #10/B VAL 2 CB 7ow6p_10.pdb #10/A TYR 9 HH -0.292 2.992 7ow6p_10.pdb #10/B VAL 1 HB 7ow6p_10.pdb #10/A GLU 63 CD -0.293 2.993 7ow6p_10.pdb #10/B VAL 2 C 7ow6p_10.pdb #10/A TYR 159 CE1 -0.296 3.696 7ow6p_10.pdb #10/B VAL 3 HA 7ow6p_10.pdb #10/A TYR 159 CG -0.296 2.996 7ow6p_10.pdb #10/B VAL 3 CG2 7ow6p_10.pdb #10/A GLN 156 NE2 -0.307 3.632 7ow6p_10.pdb #10/B VAL 1 C 7ow6p_10.pdb #10/A TYR 159 HH -0.312 3.012 7ow6p_10.pdb #10/B VAL 2 1HG1 7ow6p_10.pdb #10/A TYR 9 HH -0.313 2.313 7ow6p_10.pdb #10/B VAL 1 2HG1 7ow6p_10.pdb #10/A TYR 59 HE1 -0.317 2.317 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A GLU 63 CD -0.318 3.718 7ow6p_10.pdb #10/B LYS 10 1HG 7ow6p_10.pdb #10/A ASP 77 OD1 -0.319 2.799 7ow6p_10.pdb #10/B VAL 3 N 7ow6p_10.pdb #10/A TYR 99 CE1 -0.322 3.647 7ow6p_10.pdb #10/B VAL 2 CG1 7ow6p_10.pdb #10/A GLU 63 OE1 -0.323 3.503 7ow6p_10.pdb #10/B ASP 6 N 7ow6p_10.pdb #10/A GLN 70 OE1 -0.323 3.028 7ow6p_10.pdb #10/B VAL 3 CG1 7ow6p_10.pdb #10/A TYR 99 CE2 -0.323 3.723 7ow6p_10.pdb #10/B LYS 10 CA 7ow6p_10.pdb #10/A THR 143 OG1 -0.325 3.525 7ow6p_10.pdb #10/B VAL 3 CG2 7ow6p_10.pdb #10/A GLN 156 1HE2 -0.328 3.028 7ow6p_10.pdb #10/B LYS 10 C 7ow6p_10.pdb #10/A THR 143 OG1 -0.328 3.528 7ow6p_10.pdb #10/B VAL 2 2HG1 7ow6p_10.pdb #10/A TYR 7 CZ -0.329 3.029 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A TYR 59 HE1 -0.329 3.029 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A TRP 167 CD2 -0.330 3.730 7ow6p_10.pdb #10/B VAL 1 C 7ow6p_10.pdb #10/A GLU 63 OE1 -0.336 3.516 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 159 CZ -0.337 3.517 7ow6p_10.pdb #10/B LYS 10 2HD 7ow6p_10.pdb #10/A THR 143 1HG2 -0.341 2.341 7ow6p_10.pdb #10/B VAL 3 CB 7ow6p_10.pdb #10/A TYR 99 CZ -0.342 3.742 7ow6p_10.pdb #10/B GLY 9 C 7ow6p_10.pdb #10/A TRP 147 NE1 -0.344 3.669 7ow6p_10.pdb #10/B VAL 1 CG2 7ow6p_10.pdb #10/A ARG 163 2HB -0.350 3.050 7ow6p_10.pdb #10/B VAL 2 CG2 7ow6p_10.pdb #10/A GLU 63 OE1 -0.352 3.532 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A TRP 167 CD1 -0.355 3.755 7ow6p_10.pdb #10/B VAL 3 2HG1 7ow6p_10.pdb #10/A TYR 99 CE2 -0.357 3.057 7ow6p_10.pdb #10/B LYS 10 2HD 7ow6p_10.pdb #10/A THR 143 CG2 -0.359 3.059 7ow6p_10.pdb #10/B VAL 8 C 7ow6p_10.pdb #10/A TRP 147 HE1 -0.360 3.060 7ow6p_10.pdb #10/B LYS 10 CD 7ow6p_10.pdb #10/A THR 143 CG2 -0.361 3.761 7ow6p_10.pdb #10/B LYS 10 O 7ow6p_10.pdb #10/A TYR 84 CZ -0.361 3.541 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 7 CZ -0.367 3.547 7ow6p_10.pdb #10/B VAL 3 CG2 7ow6p_10.pdb #10/A GLN 156 OE1 -0.368 3.548 7ow6p_10.pdb #10/B VAL 2 CG2 7ow6p_10.pdb #10/A ASN 66 2HD2 -0.369 3.069 7ow6p_10.pdb #10/B LYS 10 N 7ow6p_10.pdb #10/A ASP 77 CG -0.375 3.700 7ow6p_10.pdb #10/B VAL 1 CB 7ow6p_10.pdb #10/A GLU 63 OE1 -0.376 3.556 7ow6p_10.pdb #10/B LYS 10 2HG 7ow6p_10.pdb #10/A LEU 81 CD1 -0.376 3.076 7ow6p_10.pdb #10/B LYS 10 2HD 7ow6p_10.pdb #10/A TRP 147 CZ2 -0.376 3.076 7ow6p_10.pdb #10/B ASP 6 CG 7ow6p_10.pdb #10/A ARG 114 NH1 -0.377 3.702 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A TRP 167 CZ2 -0.379 3.779 7ow6p_10.pdb #10/B ALA 5 2HB 7ow6p_10.pdb #10/A ASN 66 O -0.382 2.862 7ow6p_10.pdb #10/B LYS 10 CB 7ow6p_10.pdb #10/A LEU 81 CD2 -0.384 3.784 7ow6p_10.pdb #10/B VAL 2 CG1 7ow6p_10.pdb #10/A TYR 7 CZ -0.385 3.785 7ow6p_10.pdb #10/B GLY 9 2HA 7ow6p_10.pdb #10/A ASP 77 OD1 -0.391 2.871 7ow6p_10.pdb #10/B ALA 5 C 7ow6p_10.pdb #10/A GLN 155 NE2 -0.391 3.716 7ow6p_10.pdb #10/B VAL 2 N 7ow6p_10.pdb #10/A TYR 7 CZ -0.395 3.720 7ow6p_10.pdb #10/B VAL 1 N 7ow6p_10.pdb #10/A TRP 167 CB -0.396 3.721 7ow6p_10.pdb #10/B VAL 3 CA 7ow6p_10.pdb #10/A TYR 159 CD1 -0.396 3.796 187 contacts > contacts #10/B:1 restrict #10/A interModel false intraMol false > ignoreHiddenModels true select true color #ff2600 reveal true log true Allowed overlap: -0.4 H-bond overlap reduction: 0.4 Ignore contacts between atoms separated by 4 bonds or less Detect intra-residue contacts: False Detect intra-molecule contacts: False 50 contacts atom1 atom2 overlap distance 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 159 HH 0.243 1.837 7ow6p_10.pdb #10/B VAL 1 C 7ow6p_10.pdb #10/A TYR 7 OH 0.154 3.046 7ow6p_10.pdb #10/B VAL 1 2H 7ow6p_10.pdb #10/A TYR 171 OH 0.153 1.947 7ow6p_10.pdb #10/B VAL 1 3HG1 7ow6p_10.pdb #10/A TRP 167 CE2 0.114 2.586 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A GLU 63 OE2 0.111 3.069 7ow6p_10.pdb #10/B VAL 1 CB 7ow6p_10.pdb #10/A GLU 63 OE2 0.075 3.105 7ow6p_10.pdb #10/B VAL 1 HB 7ow6p_10.pdb #10/A GLU 63 OE2 0.063 2.417 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A TRP 167 CE2 0.038 3.362 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 7 CE1 0.015 3.165 7ow6p_10.pdb #10/B VAL 1 2HG1 7ow6p_10.pdb #10/A GLU 63 OE2 0.009 2.471 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 7 HE1 0.001 2.479 7ow6p_10.pdb #10/B VAL 1 3HG1 7ow6p_10.pdb #10/A TRP 167 CD2 -0.000 2.700 7ow6p_10.pdb #10/B VAL 1 2HG2 7ow6p_10.pdb #10/A TRP 167 CD1 -0.001 2.701 7ow6p_10.pdb #10/B VAL 1 HA 7ow6p_10.pdb #10/A GLU 63 OE1 -0.047 2.527 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A TRP 167 NE1 -0.062 3.387 7ow6p_10.pdb #10/B VAL 1 1H 7ow6p_10.pdb #10/A TRP 167 CG -0.072 2.772 7ow6p_10.pdb #10/B VAL 1 CA 7ow6p_10.pdb #10/A GLU 63 OE1 -0.116 3.296 7ow6p_10.pdb #10/B VAL 1 3HG1 7ow6p_10.pdb #10/A TRP 167 NE1 -0.120 2.745 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 159 HE1 -0.128 2.608 7ow6p_10.pdb #10/B VAL 1 1H 7ow6p_10.pdb #10/A TRP 167 CB -0.150 2.850 7ow6p_10.pdb #10/B VAL 1 CG2 7ow6p_10.pdb #10/A TRP 167 CD1 -0.174 3.574 7ow6p_10.pdb #10/B VAL 1 CA 7ow6p_10.pdb #10/A TYR 7 OH -0.175 3.375 7ow6p_10.pdb #10/B VAL 1 CB 7ow6p_10.pdb #10/A GLU 63 CD -0.189 3.589 7ow6p_10.pdb #10/B VAL 1 C 7ow6p_10.pdb #10/A TYR 7 CZ -0.197 3.597 7ow6p_10.pdb #10/B VAL 1 2H 7ow6p_10.pdb #10/A TYR 171 CZ -0.202 2.902 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 159 CE1 -0.202 3.382 7ow6p_10.pdb #10/B VAL 1 N 7ow6p_10.pdb #10/A TYR 171 OH -0.203 2.928 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 159 OH -0.216 2.796 7ow6p_10.pdb #10/B VAL 1 HA 7ow6p_10.pdb #10/A GLU 63 CD -0.216 2.916 7ow6p_10.pdb #10/B VAL 1 2HG1 7ow6p_10.pdb #10/A TYR 59 CE1 -0.219 2.919 7ow6p_10.pdb #10/B VAL 1 3HG1 7ow6p_10.pdb #10/A TRP 167 CG -0.234 2.934 7ow6p_10.pdb #10/B VAL 1 3HG1 7ow6p_10.pdb #10/A TRP 167 CD1 -0.241 2.941 7ow6p_10.pdb #10/B VAL 1 C 7ow6p_10.pdb #10/A TYR 7 CE1 -0.263 3.663 7ow6p_10.pdb #10/B VAL 1 2HG1 7ow6p_10.pdb #10/A GLU 63 CD -0.272 2.972 7ow6p_10.pdb #10/B VAL 1 3HG2 7ow6p_10.pdb #10/A TYR 159 HE1 -0.285 2.285 7ow6p_10.pdb #10/B VAL 1 CA 7ow6p_10.pdb #10/A GLU 63 CD -0.288 3.688 7ow6p_10.pdb #10/B VAL 1 HB 7ow6p_10.pdb #10/A GLU 63 CD -0.293 2.993 7ow6p_10.pdb #10/B VAL 1 C 7ow6p_10.pdb #10/A TYR 159 HH -0.312 3.012 7ow6p_10.pdb #10/B VAL 1 2HG1 7ow6p_10.pdb #10/A TYR 59 HE1 -0.317 2.317 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A GLU 63 CD -0.318 3.718 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A TYR 59 HE1 -0.329 3.029 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A TRP 167 CD2 -0.330 3.730 7ow6p_10.pdb #10/B VAL 1 C 7ow6p_10.pdb #10/A GLU 63 OE1 -0.336 3.516 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 159 CZ -0.337 3.517 7ow6p_10.pdb #10/B VAL 1 CG2 7ow6p_10.pdb #10/A ARG 163 2HB -0.350 3.050 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A TRP 167 CD1 -0.355 3.755 7ow6p_10.pdb #10/B VAL 1 O 7ow6p_10.pdb #10/A TYR 7 CZ -0.367 3.547 7ow6p_10.pdb #10/B VAL 1 CB 7ow6p_10.pdb #10/A GLU 63 OE1 -0.376 3.556 7ow6p_10.pdb #10/B VAL 1 CG1 7ow6p_10.pdb #10/A TRP 167 CZ2 -0.379 3.779 7ow6p_10.pdb #10/B VAL 1 N 7ow6p_10.pdb #10/A TRP 167 CB -0.396 3.721 50 contacts > rmsd #1/B to #2/B RMSD between 132 atom pairs is 1.154 > rmsd #1/B to #3/B RMSD between 132 atom pairs is 1.052 > rmsd #1/B to #4/B RMSD between 132 atom pairs is 1.800 > rmsd #1/B to #5/B RMSD between 132 atom pairs is 1.795 > rmsd #1/B to #6/B RMSD between 132 atom pairs is 0.933 > rmsd #1/B to #7/B RMSD between 132 atom pairs is 1.429 > rmsd #1/B to #8/B RMSD between 132 atom pairs is 1.131 > rmsd #1/B to #9/B RMSD between 132 atom pairs is 1.133 > rmsd #1/B to #10/B RMSD between 132 atom pairs is 0.957 > rmsd #2/B to #3/B RMSD between 132 atom pairs is 1.613 > rmsd #2/B to #4/B RMSD between 132 atom pairs is 1.632 > rmsd #2/B to #5/B RMSD between 132 atom pairs is 1.981 > rmsd #2/B to #6/B RMSD between 132 atom pairs is 1.467 > rmsd #2/B to #7/B RMSD between 132 atom pairs is 1.788 > rmsd #2/B to #8/B RMSD between 132 atom pairs is 1.606 > rmsd #2/B to #9/B RMSD between 132 atom pairs is 1.562 > rmsd #2/B to #10/B RMSD between 132 atom pairs is 1.554 > rmsd #3/B to #4/B RMSD between 132 atom pairs is 1.739 > rmsd #3/B to #5/B RMSD between 132 atom pairs is 1.682 > rmsd #3/B to #6/B RMSD between 132 atom pairs is 0.568 > rmsd #3/B to #7/B RMSD between 132 atom pairs is 1.588 > rmsd #3/B to #8/B RMSD between 132 atom pairs is 0.444 > rmsd #3/B to #9/B RMSD between 132 atom pairs is 1.355 > rmsd #3/B to #10/B RMSD between 132 atom pairs is 0.859 > rmsd #4/B to #5/B RMSD between 132 atom pairs is 1.660 > rmsd #4/B to #6/B RMSD between 132 atom pairs is 1.724 > rmsd #4/B to #7/B RMSD between 132 atom pairs is 1.542 > rmsd #4/B to #8/B RMSD between 132 atom pairs is 1.589 > rmsd #4/B to #9/B RMSD between 132 atom pairs is 1.640 > rmsd #4/B to #10/B RMSD between 132 atom pairs is 1.788 > rmsd #5/B to #6/B RMSD between 132 atom pairs is 1.734 > rmsd #5/B to #7/B RMSD between 132 atom pairs is 1.588 > rmsd #5/B to #8/B RMSD between 132 atom pairs is 1.548 > rmsd #5/B to #9/B RMSD between 132 atom pairs is 1.689 > rmsd #5/B to #10/B RMSD between 132 atom pairs is 1.671 > rmsd #6/B to #7/B RMSD between 132 atom pairs is 1.520 > rmsd #6/B to #8/B RMSD between 132 atom pairs is 0.641 > rmsd #6/B to #9/B RMSD between 132 atom pairs is 1.241 > rmsd #6/B to #10/B RMSD between 132 atom pairs is 0.779 > rmsd #7/B to #8/B RMSD between 132 atom pairs is 1.461 > rmsd #7/B to #9/B RMSD between 132 atom pairs is 0.967 > rmsd #7/B to #10/B RMSD between 132 atom pairs is 1.345 > rmsd #8/B to #9/B RMSD between 132 atom pairs is 1.162 > rmsd #8/B to #10/B RMSD between 132 atom pairs is 0.959 > rmsd #9/B to #10/B RMSD between 132 atom pairs is 1.299 > close all > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow6_APL1/7ow6APL1_1.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow6_APL1/7ow6APL1_1.pdb --- warnings | Ignored bad PDB record found on line 4479 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4480 #BEGIN_POSE_ENERGIES_TABLE 65df59cca7dd8_P3_0020.pdb Ignored bad PDB record found on line 4481 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4482 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4483 pose -1040.68 122.393 525.833 2.22833 1.27082 -24.4306 -46.0975 -104.758 -29.3599 -27.7886 -7.15944 0.368672 0.268076 0.0981092 6.58248 68.7577 201.8 -22.19 -61.45 -434.312 304 messages similar to the above omitted Chain information for 7ow6APL1_1.pdb #1 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow6_APL1/7ow6APL1_2.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow6_APL1/7ow6APL1_2.pdb --- warnings | Ignored bad PDB record found on line 4479 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4480 #BEGIN_POSE_ENERGIES_TABLE 65df59cca7dd8_P4_0024.pdb Ignored bad PDB record found on line 4481 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4482 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4483 pose -1043.81 124.634 528.999 2.21414 1.26868 -23.9934 -46.0975 -104.758 -33.145 -24.7282 -7.15908 0.367269 0.268843 0.0981094 7.03761 69.1522 199.345 -22.0091 -61.45 -433.763 304 messages similar to the above omitted Chain information for 7ow6APL1_2.pdb #2 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow6_APL1/7ow6APL1_3.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow6_APL1/7ow6APL1_3.pdb --- warnings | Ignored bad PDB record found on line 4479 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4480 #BEGIN_POSE_ENERGIES_TABLE 65df59cca7dd8_P4_0012.pdb Ignored bad PDB record found on line 4481 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4482 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4483 pose -1038.61 126.557 524.658 2.20998 1.26975 -24.2789 -46.0975 -104.758 -29.3155 -27.3837 -7.15906 0.369855 0.269801 0.0981088 6.65507 68.7667 196.881 -21.8497 -61.45 -433.171 304 messages similar to the above omitted Chain information for 7ow6APL1_3.pdb #3 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow6_APL1/7ow6APL1_4.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow6_APL1/7ow6APL1_4.pdb --- warnings | Ignored bad PDB record found on line 4479 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4480 #BEGIN_POSE_ENERGIES_TABLE 65df59cca7dd8_P3_0012.pdb Ignored bad PDB record found on line 4481 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4482 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4483 pose -1038.62 124.567 522.942 2.21346 1.26898 -23.7332 -46.0975 -104.758 -30.0994 -23.2907 -7.16066 0.374587 0.269232 0.0981079 6.75715 69.3489 196.66 -22.2108 -61.45 -432.924 304 messages similar to the above omitted Chain information for 7ow6APL1_4.pdb #4 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow6_APL1/7ow6APL1_5.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow6_APL1/7ow6APL1_5.pdb --- warnings | Ignored bad PDB record found on line 4479 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4480 #BEGIN_POSE_ENERGIES_TABLE 65df59cca7dd8_P3_0036.pdb Ignored bad PDB record found on line 4481 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4482 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4483 pose -1039.99 123.74 524.492 2.20264 1.26995 -23.84 -46.0975 -104.758 -30.7869 -23.6412 -7.15795 0.375194 0.268556 0.0981074 6.97848 69.7504 197.662 -22.0112 -61.45 -432.897 304 messages similar to the above omitted Chain information for 7ow6APL1_5.pdb #5 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow6_APL1/7ow6APL1_6.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow6_APL1/7ow6APL1_6.pdb --- warnings | Ignored bad PDB record found on line 4479 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4480 #BEGIN_POSE_ENERGIES_TABLE 65df59cca7dd8_P3_0025.pdb Ignored bad PDB record found on line 4481 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4482 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4483 pose -1040.62 125.765 525.523 2.21114 1.27086 -23.8658 -46.0975 -104.758 -31.4483 -23.8233 -7.13823 0.35349 0.27559 0.0981104 6.97354 68.953 197.029 -22.1397 -61.45 -432.892 304 messages similar to the above omitted Chain information for 7ow6APL1_6.pdb #6 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow6_APL1/7ow6APL1_7.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow6_APL1/7ow6APL1_7.pdb --- warnings | Ignored bad PDB record found on line 4479 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4480 #BEGIN_POSE_ENERGIES_TABLE 65df59cca7dd8_P3_0047.pdb Ignored bad PDB record found on line 4481 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4482 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4483 pose -1041.33 124.811 527.242 2.20779 1.26998 -24.255 -46.0975 -104.758 -29.7195 -24.5727 -7.16993 0.369405 0.273583 0.0981123 7.13696 69.1931 195.948 -21.9356 -61.45 -432.735 304 messages similar to the above omitted Chain information for 7ow6APL1_7.pdb #7 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow6_APL1/7ow6APL1_8.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow6_APL1/7ow6APL1_8.pdb --- warnings | Ignored bad PDB record found on line 4479 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4480 #BEGIN_POSE_ENERGIES_TABLE 65df59cca7dd8_P4_0029.pdb Ignored bad PDB record found on line 4481 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4482 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4483 pose -1042.32 123.818 527.599 2.22611 1.27011 -24.317 -46.0975 -104.758 -30.5052 -24.1911 -7.15942 0.363325 0.26995 0.0981108 7.04719 69.1378 198.741 -22.4474 -61.45 -432.676 304 messages similar to the above omitted Chain information for 7ow6APL1_8.pdb #8 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow6_APL1/7ow6APL1_9.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow6_APL1/7ow6APL1_9.pdb --- warnings | Ignored bad PDB record found on line 4479 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4480 #BEGIN_POSE_ENERGIES_TABLE 65df59cca7dd8_P1_0017.pdb Ignored bad PDB record found on line 4481 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4482 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4483 pose -1037.57 122.935 523.319 2.21816 1.27226 -23.9762 -46.0975 -104.758 -28.0874 -24.5065 -7.15806 0.364206 0.271392 0.098106 6.52711 69.0278 197.226 -22.0705 -61.45 -432.413 310 messages similar to the above omitted Chain information for 7ow6APL1_9.pdb #9 --- Chain | Description A | No description available B | No description available > open ""/Users/amandahuff/Library/CloudStorage/OneDrive- > JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 > NEW/7ow6_APL1/7ow6APL1_10.pdb"" Summary of feedback from opening /Users/amandahuff/Library/CloudStorage/OneDrive- JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow6_APL1/7ow6APL1_10.pdb --- warnings | Ignored bad PDB record found on line 4479 # All scores below are weighted scores, not raw scores. Ignored bad PDB record found on line 4480 #BEGIN_POSE_ENERGIES_TABLE 65df59cca7dd8_P4_0002.pdb Ignored bad PDB record found on line 4481 label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref total Ignored bad PDB record found on line 4482 weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56 0.32 1 NA Ignored bad PDB record found on line 4483 pose -1040.55 124.079 525.701 2.2314 1.27077 -24.1295 -46.0975 -104.758 -30.9468 -25.2219 -7.14957 0.362734 0.271901 0.0981073 7.14983 69.0382 199.71 -21.9028 -61.45 -432.291 304 messages similar to the above omitted Chain information for 7ow6APL1_10.pdb #10 --- Chain | Description A | No description available B | No description available > mlp /B Map values for surface ""7ow6APL1_3.pdb_B SES surface"": minimum -21.85, mean -5.41, maximum 16.63 Map values for surface ""7ow6APL1_10.pdb_B SES surface"": minimum -23.56, mean -5.192, maximum 17.31 Map values for surface ""7ow6APL1_6.pdb_B SES surface"": minimum -24.46, mean -5.366, maximum 16.92 Map values for surface ""7ow6APL1_9.pdb_B SES surface"": minimum -21.55, mean -5.28, maximum 16.12 Map values for surface ""7ow6APL1_8.pdb_B SES surface"": minimum -23.75, mean -5.18, maximum 16.58 Map values for surface ""7ow6APL1_1.pdb_B SES surface"": minimum -20.82, mean -5.371, maximum 16.92 Map values for surface ""7ow6APL1_5.pdb_B SES surface"": minimum -24.66, mean -5.167, maximum 16.42 Map values for surface ""7ow6APL1_4.pdb_B SES surface"": minimum -23.62, mean -5.143, maximum 16.88 Map values for surface ""7ow6APL1_2.pdb_B SES surface"": minimum -24.08, mean -5.298, maximum 17.37 Map values for surface ""7ow6APL1_7.pdb_B SES surface"": minimum -23.52, mean -5.163, maximum 17.12 > coulombic /B ===== Log before crash end ===== Log: Startup Messages --- warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR bundle with that from NMRSTAR bundle 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: 4.1 Metal - 88 OpenGL renderer: Apple M1 Pro OpenGL vendor: Apple Python: 3.11.2 Locale: UTF-8 Qt version: PyQt6 6.3.1, Qt 6.3.1 Qt runtime version: 6.3.2 Qt platform: cocoa Hardware: Hardware Overview: Model Name: MacBook Pro Model Identifier: MacBookPro18,3 Model Number: MKGQ3LL/A Chip: Unknown Total Number of Cores: 10 (8 performance and 2 efficiency) Memory: 16 GB System Firmware Version: 10151.81.1 OS Loader Version: 10151.81.1 Software: System Software Overview: System Version: macOS 14.3.1 (23D60) Kernel Version: Darwin 23.3.0 Time since boot: 15 days, 15 hours, 38 minutes Graphics/Displays: Apple M1 Pro: Chipset Model: Apple M1 Pro Type: GPU Bus: Built-In Total Number of Cores: 16 Vendor: Apple (0x106b) Metal Support: Metal 3 Displays: Color LCD: Display Type: Built-in Liquid Retina XDR Display Resolution: 3024 x 1964 Retina Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: Yes Connection Type: Internal Installed Packages: alabaster: 0.7.16 appdirs: 1.4.4 appnope: 0.1.3 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: 2022.12.7 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-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 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: 21.3 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 setuptools-scm: 7.0.5 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 }}} " defect closed normal Core duplicate Tom Goddard all ChimeraX