id summary reporter owner description type status priority milestone component version resolution keywords cc blockedby blocking notify_on_close platform project 17358 Crash on Mac waking from sleep chimerax-bug-report@… Tom Goddard "{{{ The following bug report has been submitted: Platform: macOS-14.6.1-arm64-arm-64bit ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC) Description deLast time you used ChimeraX it crashed. This is a known crash that we are unable to fix. Here is information that may help you avoid this crash. The Qt window toolkit crashed due to a display configuration change, typically when waking from sleep or when an external display is disconnected or connected. This has only been seen on Mac computers. We hope a newer version of Qt will fix it. We update ChimeraX daily builds whenever a new Qt is released. You can check here https://www.cgl.ucsf.edu/chimerax/docs/troubleshoot.html#macdisplay to see if it has been fixed in a newer ChimeraX. Fatal Python error: Segmentation fault Thread 0x000000031c08b000 (most recent call first): File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 579 in _handle_results File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap Thread 0x000000031b07f000 (most recent call first): File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 531 in _handle_tasks File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap Thread 0x000000031a073000 (most recent call first): File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/selectors.py"", line 415 in select File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/connection.py"", line 930 in wait File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 502 in _wait_for_updates File 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""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap Thread 0x000000031805b000 (most recent call first): File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap Thread 0x000000031704f000 (most 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""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap Thread 0x0000000315037000 (most recent call first): File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap Thread 0x000000031402b000 (most 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been initialized yet UCSF ChimeraX version: 1.9 (2024-12-11) © 2016-2024 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open ""/Users/christophebernard_1/Documents/Prof > CSB/1_Labo/1_Documentation/4_Structure/Prédiction CSB et > Lara/1_TolQ_FtsA/B_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37/fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif"" Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1 --- Chain | Description A B C D E | . F G H | . > open ""/Users/christophebernard_1/Documents/Prof > CSB/1_Labo/1_Documentation/4_Structure/Prédiction CSB et > Lara/1_TolQ_FtsA/B_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37/fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif"" Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2 --- Chain | Description A B C D E | . F G H | . > open ""/Users/christophebernard_1/Documents/Prof > CSB/1_Labo/1_Documentation/4_Structure/Prédiction CSB et > Lara/1_TolQ_FtsA/B_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37/fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif"" Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3 --- Chain | Description A B C D E | . F G H | . > open ""/Users/christophebernard_1/Documents/Prof > CSB/1_Labo/1_Documentation/4_Structure/Prédiction CSB et > Lara/1_TolQ_FtsA/B_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37/fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif"" Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4 --- Chain | Description A B C D E | . F G H | . > open ""/Users/christophebernard_1/Documents/Prof > CSB/1_Labo/1_Documentation/4_Structure/Prédiction CSB et > Lara/1_TolQ_FtsA/B_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37/fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif"" Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5 --- Chain | Description A B C D E | . F G H | . > hide atoms > show cartoons Computing secondary structure > ui tool show Matchmaker > matchmaker #2-5 to #1 Computing secondary structure Parameters --- Chain pairing | bb Alignment algorithm | Needleman-Wunsch Similarity matrix | BLOSUM-62 SS fraction | 0.3 Gap open (HH/SS/other) | 18/18/6 Gap extend | 1 SS matrix | | | H | S | O ---|---|---|--- H | 6 | -9 | -6 S | | 6 | -6 O | | | 4 Iteration cutoff | 2 Matchmaker fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif, chain F (#1) with fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif, chain F (#2), sequence alignment score = 2171.2 RMSD between 401 pruned atom pairs is 0.518 angstroms; (across all 420 pairs: 1.403) Matchmaker fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif, chain F (#1) with fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif, chain F (#3), sequence alignment score = 2171.2 RMSD between 389 pruned atom pairs is 0.525 angstroms; (across all 420 pairs: 1.845) Matchmaker fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif, chain F (#1) with fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif, chain F (#4), sequence alignment score = 2171.2 RMSD between 386 pruned atom pairs is 0.435 angstroms; (across all 420 pairs: 2.095) Matchmaker fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif, chain F (#1) with fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif, chain F (#5), sequence alignment score = 2158.6 RMSD between 398 pruned atom pairs is 0.396 angstroms; (across all 420 pairs: 1.182) > hide #2 models > hide #3 models > hide #4 models > hide #5 models > hide #1 models > show #2 models > hide #2 models > show #3 models > hide #3 models > show #2 models > hide #2 models > show #3 models > hide #3 models > show #4 models > hide #4 models > show #5 models > hide #5 models > show #2 models > hide #2 models > select add #1 18549 atoms, 18857 bonds, 2410 residues, 1 model selected > select add #2 37098 atoms, 37714 bonds, 4820 residues, 2 models selected > select add #3 55647 atoms, 56571 bonds, 7230 residues, 3 models selected > select add #4 74196 atoms, 75428 bonds, 9640 residues, 4 models selected > select add #5 92745 atoms, 94285 bonds, 12050 residues, 5 models selected > ui tool show H-Bonds > hbonds sel radius 0.105 dashes 0 interModel false intraMol false intraRes > false select true reveal true log true Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: 1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif 2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif 3 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif 4 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif 5 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif 215 H-bonds H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/F ASP 73 OD2 no hydrogen 2.407 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A ARG 92 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/F MET 71 O no hydrogen 2.878 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A ARG 92 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/F ALA 72 O no hydrogen 3.014 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E PHE 222 O no hydrogen 3.637 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A HIS 99 ND1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E GLU 226 OE1 no hydrogen 3.005 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A GLN 165 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B VAL 159 O no hydrogen 1.582 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B GLU 121 OE1 no hydrogen 2.734 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B GLU 89 OE1 no hydrogen 2.421 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A PHE 222 O no hydrogen 3.485 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B HIS 99 ND1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A GLU 226 OE1 no hydrogen 2.750 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B GLN 165 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C VAL 159 O no hydrogen 1.596 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C GLU 121 OE1 no hydrogen 2.749 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C GLU 89 OE1 no hydrogen 2.478 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B SER 227 OG fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/H ASP 369 OD2 no hydrogen 3.487 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/H ASP 73 OD2 no hydrogen 2.451 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C ARG 92 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/H MET 71 O no hydrogen 3.222 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C ARG 92 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/H MET 71 O no hydrogen 3.402 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B PHE 222 O no hydrogen 3.682 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C HIS 99 ND1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B GLU 226 OE1 no hydrogen 2.985 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C GLN 165 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D VAL 159 O no hydrogen 1.581 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D GLU 121 OE1 no hydrogen 2.758 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D GLU 89 OE1 no hydrogen 2.464 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/G ASP 73 OD2 no hydrogen 2.416 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D ARG 92 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/G MET 71 O no hydrogen 3.187 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D ARG 92 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/G ALA 72 O no hydrogen 3.084 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D ARG 95 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/G GLN 67 O no hydrogen 2.215 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C PHE 222 O no hydrogen 3.400 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D HIS 99 ND1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C GLU 226 OE1 no hydrogen 2.546 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E GLU 121 OE1 no hydrogen 2.826 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E GLU 89 OE1 no hydrogen 2.384 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D PHE 222 O no hydrogen 3.490 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E HIS 99 ND1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D GLU 226 OE1 no hydrogen 2.771 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A GLU 121 OE1 no hydrogen 2.779 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A GLU 89 OE1 no hydrogen 2.474 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/F LYS 3 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E ASP 54 OD1 no hydrogen 2.850 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/F THR 5 OG1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E TRP 57 O no hydrogen 3.473 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/G LYS 3 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C ASP 54 OD1 no hydrogen 2.621 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/A ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/E PHE 222 O no hydrogen 3.615 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/A ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/E GLU 212 OE2 no hydrogen 2.860 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/A LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B GLU 121 OE1 no hydrogen 2.562 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/A HIS 218 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B ALA 103 O no hydrogen 2.828 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/A PHE 222 O no hydrogen 3.619 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/A GLU 212 OE2 no hydrogen 2.806 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C GLU 121 OE1 no hydrogen 2.594 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B HIS 218 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C ALA 103 O no hydrogen 2.876 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B SER 227 OG fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G ASP 369 OD2 no hydrogen 3.466 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G ASP 73 OD1 no hydrogen 2.943 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G ASP 73 OD2 no hydrogen 2.681 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C ARG 92 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G MET 71 O no hydrogen 3.458 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C ARG 92 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G MET 71 O no hydrogen 3.415 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C ARG 95 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G GLN 67 O no hydrogen 2.333 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C ARG 95 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G GLN 67 O no hydrogen 3.123 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B PHE 222 O no hydrogen 3.579 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B GLU 212 OE2 no hydrogen 2.845 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/D GLU 121 OE1 no hydrogen 2.601 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C HIS 218 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/D ALA 103 O no hydrogen 2.831 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/D ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C PHE 222 O no hydrogen 3.465 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/D ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C GLU 212 OE2 no hydrogen 2.845 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/D LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/E GLU 121 OE1 no hydrogen 2.669 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/D HIS 218 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/E ALA 103 O no hydrogen 2.872 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/E ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/D PHE 222 O no hydrogen 3.562 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/E ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/D GLU 212 OE2 no hydrogen 2.936 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/E LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/A GLU 121 OE1 no hydrogen 2.672 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/E HIS 218 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/A ALA 103 O no hydrogen 2.921 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/F GLN 140 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G ASN 52 OD1 no hydrogen 2.522 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/F SER 150 N fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G ASN 170 OD1 no hydrogen 2.318 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G GLN 140 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/H ASN 52 OD1 no hydrogen 2.609 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G SER 150 N fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/H ASN 170 OD1 no hydrogen 2.325 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G LYS 169 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/F GLU 102 OE1 no hydrogen 3.341 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G ASN 170 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/F SER 150 O no hydrogen 3.099 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G LYS 173 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/F SER 150 OG no hydrogen 2.821 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G TYR 245 OH fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/F LEU 204 O no hydrogen 3.413 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G ARG 283 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/F ALA 330 O no hydrogen 3.121 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/H LYS 169 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G GLU 102 OE2 no hydrogen 3.467 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/H ASN 170 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G SER 150 O no hydrogen 3.184 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/H LYS 173 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G SER 150 OG no hydrogen 2.882 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/H TYR 245 OH fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G LEU 204 O no hydrogen 3.305 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/H ARG 283 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G ALA 330 O no hydrogen 3.044 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/A ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/E PHE 222 O no hydrogen 3.651 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/A LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/B GLU 121 OE1 no hydrogen 2.993 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/A ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/B GLU 89 OE1 no hydrogen 2.401 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/B ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/A PHE 222 O no hydrogen 3.633 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/B LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/C GLU 121 OE1 no hydrogen 2.899 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/B ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/C GLU 89 OE1 no hydrogen 2.485 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/C GLN 67 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G ASP 66 OD1 no hydrogen 3.117 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/C GLN 70 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G ASP 73 OD1 no hydrogen 2.578 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/C ARG 95 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G GLN 67 O no hydrogen 2.727 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/C LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/D GLU 121 OE1 no hydrogen 2.762 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/C ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/D GLU 89 OE1 no hydrogen 2.399 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/D ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/C PHE 222 O no hydrogen 3.526 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/D LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/E GLU 121 OE1 no hydrogen 2.911 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/D ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/E GLU 89 OE1 no hydrogen 2.449 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/E ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/D PHE 222 O no hydrogen 3.602 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/E LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/A GLU 121 OE1 no hydrogen 3.011 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/E ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/A GLU 89 OE1 no hydrogen 2.418 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/F TYR 139 OH fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G GLU 124 OE2 no hydrogen 3.118 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/F GLN 140 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G ASN 52 OD1 no hydrogen 2.869 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/F SER 150 N fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G ASN 170 OD1 no hydrogen 2.438 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/F SER 150 OG fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G ASN 170 OD1 no hydrogen 3.254 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/F LYS 325 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G TYR 245 OH no hydrogen 3.549 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G LYS 86 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/F TYR 139 O no hydrogen 3.011 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G TYR 139 OH fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H GLU 124 OE2 no hydrogen 3.181 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G GLN 140 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H ASN 52 OD1 no hydrogen 2.827 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G ASN 145 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H ASP 53 OD1 no hydrogen 3.550 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G SER 150 N fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H ASN 170 OD1 no hydrogen 2.495 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G SER 150 OG fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H ASN 170 OD1 no hydrogen 3.331 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G ASN 170 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/F SER 150 O no hydrogen 3.185 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G LYS 173 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/F GLY 148 O no hydrogen 3.223 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G LYS 173 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/F SER 150 OG no hydrogen 2.797 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G ARG 283 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/F ALA 330 O no hydrogen 2.945 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G ARG 283 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/F GLN 355 OE1 no hydrogen 2.361 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G ARG 283 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/F ALA 330 O no hydrogen 2.366 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G LYS 325 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H TYR 245 OH no hydrogen 3.548 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H LYS 86 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G TYR 139 O no hydrogen 2.877 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H ASN 170 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G SER 150 O no hydrogen 3.224 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H LYS 173 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G GLY 148 O no hydrogen 3.142 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H LYS 173 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G SER 150 OG no hydrogen 2.897 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H ARG 283 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G ALA 330 O no hydrogen 2.832 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H ARG 283 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G GLN 355 OE1 no hydrogen 2.412 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/H ARG 283 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/G ALA 330 O no hydrogen 2.381 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E GLU 211 OE1 no hydrogen 3.177 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E GLU 211 OE2 no hydrogen 2.688 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A ASN 117 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E ASN 208 OD1 no hydrogen 3.574 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B GLU 121 OE1 no hydrogen 2.951 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B GLU 89 OE1 no hydrogen 2.973 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B GLU 89 OE2 no hydrogen 2.414 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A GLU 211 OE1 no hydrogen 3.174 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A GLU 211 OE2 no hydrogen 2.747 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B ASN 117 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A ASN 208 OD1 no hydrogen 3.692 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C GLU 121 OE1 no hydrogen 2.932 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C GLU 89 OE1 no hydrogen 2.968 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C GLU 89 OE2 no hydrogen 2.407 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B GLU 211 OE1 no hydrogen 3.314 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B GLU 211 OE2 no hydrogen 2.698 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C ASN 117 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B ASN 208 OD1 no hydrogen 3.620 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D GLU 121 OE1 no hydrogen 2.881 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C GLU 211 OE1 no hydrogen 3.180 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C GLU 211 OE2 no hydrogen 2.689 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D ASN 117 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C ASN 208 OD1 no hydrogen 3.623 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E GLU 121 OE1 no hydrogen 2.833 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E GLU 89 OE1 no hydrogen 2.906 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E GLU 89 OE2 no hydrogen 2.418 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G ASP 73 OD2 no hydrogen 2.734 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E ARG 95 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G GLN 67 O no hydrogen 3.099 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D GLU 211 OE1 no hydrogen 3.301 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D GLU 211 OE2 no hydrogen 2.774 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A GLU 121 OE1 no hydrogen 2.783 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A GLU 89 OE1 no hydrogen 2.892 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A GLU 89 OE2 no hydrogen 2.419 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/F GLN 140 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G VAL 51 O no hydrogen 2.480 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/F SER 150 N fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G ASN 170 OD1 no hydrogen 2.289 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/F SER 150 OG fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G ASN 170 OD1 no hydrogen 3.455 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/F LYS 325 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G TYR 245 OH no hydrogen 3.519 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G GLN 140 NE2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/H VAL 51 O no hydrogen 2.499 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G SER 150 N fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/H ASN 170 OD1 no hydrogen 2.380 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G SER 150 OG fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/H ASN 170 OD1 no hydrogen 3.469 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G ASN 170 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/F SER 150 O no hydrogen 3.027 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G LYS 173 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/F GLY 148 O no hydrogen 2.816 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G LYS 173 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/F SER 150 OG no hydrogen 2.943 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G ARG 283 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/F ALA 330 O no hydrogen 3.329 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G ARG 283 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/F ALA 330 O no hydrogen 2.925 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G LYS 325 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/H SER 241 OG no hydrogen 3.125 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G LYS 325 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/H TYR 245 OH no hydrogen 3.506 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G THR 368 OG1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D THR 223 O no hydrogen 3.427 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/H LYS 86 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G TYR 139 O no hydrogen 3.151 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/H ASN 170 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G SER 150 O no hydrogen 3.146 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/H LYS 173 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G GLY 148 O no hydrogen 2.822 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/H LYS 173 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G SER 150 OG no hydrogen 3.030 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/H ARG 283 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G ALA 330 O no hydrogen 3.176 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/H ARG 283 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G ALA 330 O no hydrogen 2.881 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A ARG 73 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/G ASP 73 O no hydrogen 3.531 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/G ASP 73 OD1 no hydrogen 2.992 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/G ASP 73 OD2 no hydrogen 2.754 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A ARG 92 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/G MET 71 O no hydrogen 3.263 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A ARG 92 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/G MET 71 O no hydrogen 2.893 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A ARG 95 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/G GLN 67 O no hydrogen 3.458 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E PHE 222 O no hydrogen 3.424 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B GLU 121 OE1 no hydrogen 2.678 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B GLU 89 OE1 no hydrogen 2.725 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B GLU 89 OE2 no hydrogen 2.602 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B ARG 73 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/F ASP 73 O no hydrogen 3.514 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/F ASP 73 OD1 no hydrogen 3.406 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/F ASP 73 OD2 no hydrogen 2.572 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B ARG 95 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/F GLN 67 O no hydrogen 3.142 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A PHE 222 O no hydrogen 3.430 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C GLU 121 OE1 no hydrogen 2.708 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C GLU 89 OE1 no hydrogen 2.727 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C GLU 89 OE2 no hydrogen 2.539 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B PHE 222 O no hydrogen 3.386 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B GLU 212 OE2 no hydrogen 2.961 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D GLU 121 OE1 no hydrogen 2.782 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D GLU 89 OE1 no hydrogen 2.705 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D GLU 89 OE2 no hydrogen 2.516 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C PHE 222 O no hydrogen 3.503 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C GLU 212 OE2 no hydrogen 2.907 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E GLU 121 OE1 no hydrogen 2.689 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E GLU 89 OE1 no hydrogen 2.668 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E GLU 89 OE2 no hydrogen 2.618 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/H ASP 73 OD1 no hydrogen 3.272 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/H ASP 73 OD2 no hydrogen 2.822 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E ARG 92 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/H MET 71 O no hydrogen 2.999 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E ARG 92 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/H MET 71 O no hydrogen 3.541 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E ARG 95 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/H GLN 67 O no hydrogen 2.567 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E ASN 97 ND2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D PHE 222 O no hydrogen 3.462 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A GLU 121 OE1 no hydrogen 2.605 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A GLU 89 OE1 no hydrogen 2.805 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A GLU 89 OE2 no hydrogen 2.507 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/F LYS 3 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A ASP 54 OD1 no hydrogen 2.922 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/F THR 5 OG1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A TRP 57 O no hydrogen 1.980 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/F TYR 370 OH fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B ARG 95 O no hydrogen 2.777 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/G LYS 3 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E ASP 54 OD1 no hydrogen 3.115 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/G THR 5 OG1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E TRP 57 O no hydrogen 3.267 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/H LYS 3 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D ASP 54 OD1 no hydrogen 3.037 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/H THR 5 OG1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D TRP 57 O no hydrogen 2.088 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/H TYR 370 OH fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E ARG 95 O no hydrogen 3.194 N/A 215 hydrogen bonds found > ui tool show H-Bonds > hbonds sel radius 0.105 dashes 0 interModel false saltOnly true intraMol > false intraRes false select true reveal true log true Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: 1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif 2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif 3 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif 4 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif 5 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif 94 H-bonds H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/F ASP 73 OD2 no hydrogen 2.407 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A HIS 99 ND1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E GLU 226 OE1 no hydrogen 3.005 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B GLU 121 OE1 no hydrogen 2.734 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B GLU 89 OE1 no hydrogen 2.421 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B HIS 99 ND1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A GLU 226 OE1 no hydrogen 2.750 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C GLU 121 OE1 no hydrogen 2.749 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C GLU 89 OE1 no hydrogen 2.478 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/H ASP 73 OD2 no hydrogen 2.451 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C HIS 99 ND1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/B GLU 226 OE1 no hydrogen 2.985 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D GLU 121 OE1 no hydrogen 2.758 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D GLU 89 OE1 no hydrogen 2.464 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/G ASP 73 OD2 no hydrogen 2.416 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D HIS 99 ND1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C GLU 226 OE1 no hydrogen 2.546 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E GLU 121 OE1 no hydrogen 2.826 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E GLU 89 OE1 no hydrogen 2.384 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E HIS 99 ND1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/D GLU 226 OE1 no hydrogen 2.771 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A GLU 121 OE1 no hydrogen 2.779 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/A GLU 89 OE1 no hydrogen 2.474 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/F LYS 3 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/E ASP 54 OD1 no hydrogen 2.850 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/G LYS 3 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1/C ASP 54 OD1 no hydrogen 2.621 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/A ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/E GLU 212 OE2 no hydrogen 2.860 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/A LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B GLU 121 OE1 no hydrogen 2.562 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/A GLU 212 OE2 no hydrogen 2.806 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C GLU 121 OE1 no hydrogen 2.594 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G ASP 73 OD1 no hydrogen 2.943 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G ASP 73 OD2 no hydrogen 2.681 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/B GLU 212 OE2 no hydrogen 2.845 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/D GLU 121 OE1 no hydrogen 2.601 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/D ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/C GLU 212 OE2 no hydrogen 2.845 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/D LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/E GLU 121 OE1 no hydrogen 2.669 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/E ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/D GLU 212 OE2 no hydrogen 2.936 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/E LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/A GLU 121 OE1 no hydrogen 2.672 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G LYS 169 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/F GLU 102 OE1 no hydrogen 3.341 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/H LYS 169 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2/G GLU 102 OE2 no hydrogen 3.467 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/A LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/B GLU 121 OE1 no hydrogen 2.993 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/A ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/B GLU 89 OE1 no hydrogen 2.401 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/B LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/C GLU 121 OE1 no hydrogen 2.899 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/B ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/C GLU 89 OE1 no hydrogen 2.485 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/C LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/D GLU 121 OE1 no hydrogen 2.762 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/C ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/D GLU 89 OE1 no hydrogen 2.399 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/D LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/E GLU 121 OE1 no hydrogen 2.911 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/D ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/E GLU 89 OE1 no hydrogen 2.449 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/E LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/A GLU 121 OE1 no hydrogen 3.011 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/E ARG 219 NE fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_2.cif #3/A GLU 89 OE1 no hydrogen 2.418 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E GLU 211 OE1 no hydrogen 3.177 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E GLU 211 OE2 no hydrogen 2.688 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B GLU 121 OE1 no hydrogen 2.951 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B GLU 89 OE1 no hydrogen 2.973 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B GLU 89 OE2 no hydrogen 2.414 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A GLU 211 OE1 no hydrogen 3.174 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A GLU 211 OE2 no hydrogen 2.747 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C GLU 121 OE1 no hydrogen 2.932 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C GLU 89 OE1 no hydrogen 2.968 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C GLU 89 OE2 no hydrogen 2.407 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B GLU 211 OE1 no hydrogen 3.314 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/B GLU 211 OE2 no hydrogen 2.698 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D GLU 121 OE1 no hydrogen 2.881 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C GLU 211 OE1 no hydrogen 3.180 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/C GLU 211 OE2 no hydrogen 2.689 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E GLU 121 OE1 no hydrogen 2.833 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E GLU 89 OE1 no hydrogen 2.906 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E GLU 89 OE2 no hydrogen 2.418 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/G ASP 73 OD2 no hydrogen 2.734 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D GLU 211 OE1 no hydrogen 3.301 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E ARG 113 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/D GLU 211 OE2 no hydrogen 2.774 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A GLU 121 OE1 no hydrogen 2.783 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A GLU 89 OE1 no hydrogen 2.892 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/E ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_3.cif #4/A GLU 89 OE2 no hydrogen 2.419 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/G ASP 73 OD1 no hydrogen 2.992 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/G ASP 73 OD2 no hydrogen 2.754 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B GLU 121 OE1 no hydrogen 2.678 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B GLU 89 OE1 no hydrogen 2.725 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B GLU 89 OE2 no hydrogen 2.602 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/F ASP 73 OD1 no hydrogen 3.406 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/F ASP 73 OD2 no hydrogen 2.572 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C GLU 121 OE1 no hydrogen 2.708 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C GLU 89 OE1 no hydrogen 2.727 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C GLU 89 OE2 no hydrogen 2.539 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/B GLU 212 OE2 no hydrogen 2.961 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D GLU 121 OE1 no hydrogen 2.782 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D GLU 89 OE1 no hydrogen 2.705 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D GLU 89 OE2 no hydrogen 2.516 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D ARG 118 NH2 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/C GLU 212 OE2 no hydrogen 2.907 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E GLU 121 OE1 no hydrogen 2.689 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E GLU 89 OE1 no hydrogen 2.668 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E GLU 89 OE2 no hydrogen 2.618 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/H ASP 73 OD1 no hydrogen 3.272 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E LYS 88 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/H ASP 73 OD2 no hydrogen 2.822 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E LYS 201 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A GLU 121 OE1 no hydrogen 2.605 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A GLU 89 OE1 no hydrogen 2.805 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E ARG 219 NH1 fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A GLU 89 OE2 no hydrogen 2.507 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/F LYS 3 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/A ASP 54 OD1 no hydrogen 2.922 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/G LYS 3 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/E ASP 54 OD1 no hydrogen 3.115 N/A fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/H LYS 3 NZ fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_4.cif #5/D ASP 54 OD1 no hydrogen 3.037 N/A 94 hydrogen bonds found > show #!1 models > select add #1 18679 atoms, 18857 bonds, 20 pseudobonds, 2522 residues, 6 models selected > select add #2 37201 atoms, 37714 bonds, 34 pseudobonds, 4906 residues, 7 models selected > select subtract #1 18652 atoms, 18857 bonds, 14 pseudobonds, 2496 residues, 5 models selected > select subtract #2 103 atoms, 86 residues, 3 models selected > select add #3 18632 atoms, 18857 bonds, 10 pseudobonds, 2476 residues, 4 models selected > select subtract #3 83 atoms, 66 residues, 2 models selected > select add #4 18593 atoms, 18857 bonds, 24 pseudobonds, 2446 residues, 3 models selected > select subtract #4 44 atoms, 36 residues, 1 model selected > select add #5 18549 atoms, 18857 bonds, 26 pseudobonds, 2410 residues, 2 models selected > select subtract #5 Nothing selected > hide #!1 models > show #!2 models > hide #!2 models > show #!1 models > hide #!1 models > show #!2 models > hide #!2 models > show #!3 models > hide #!3 models > show #!3 models > hide #!3 models > show #!4 models > hide #!4 models > show #!5 models > hide #!5 models > show #!2 models > show #!1 models > hide #!1 models > log metadata #1 No models had metadata > log chains #1 Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1 --- Chain | Description A B C D E | . F G H | . > log metadata #1 No models had metadata > log chains #1 Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_0.cif #1 --- Chain | Description A B C D E | . F G H | . > log metadata #2 No models had metadata > log chains #2 Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2 --- Chain | Description A B C D E | . F G H | . > ui tool show ""Model Panel"" > ui dockable false ""Model Panel"" > ui dockable true ""Model Panel"" > undo Alignment identifier is 1 Alignment identifier is 2 > ui tool show ""Model Panel"" > ui tool show ""Command Line Interface"" > ui tool show ""File History"" > hide #!1 models > ui tool show ""Selection Inspector"" > hide #!2 models > show #!2 models > log metadata #2 No models had metadata > log chains #2 Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2 --- Chain | Description A B C D E | . F G H | . > log metadata #2 No models had metadata > log chains #2 Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2 --- Chain | Description A B C D E | . F G H | . > ui tool show ""Selection Inspector"" > ui tool show ""Send to Quest"" > ui tool show ""Side View"" > ui tool show Toolbar > log metadata #2 No models had metadata > log chains #2 Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2 --- Chain | Description A B C D E | . F G H | . > ui tool show ""File History"" > ui tool show Log > hide #2.1 models > select add #2 18549 atoms, 18857 bonds, 14 pseudobonds, 2410 residues, 2 models selected > color (#!2 & sel) forest green > hide sel atoms > select #2/C:1-230 1803 atoms, 1837 bonds, 230 residues, 1 model selected > sequence chain #2/A#2/B#2/C#2/D#2/E Alignment identifier is 1 > select #2/C:1-230 1803 atoms, 1837 bonds, 230 residues, 1 model selected > select #2/A:1-230 1803 atoms, 1837 bonds, 230 residues, 1 model selected > color sel light gray > select #2/B:1-230 1803 atoms, 1837 bonds, 230 residues, 1 model selected > color sel gray > select #2/B:1-230 1803 atoms, 1837 bonds, 230 residues, 1 model selected > select #2/B:1-230 1803 atoms, 1837 bonds, 230 residues, 1 model selected > select #2/B:1-230 1803 atoms, 1837 bonds, 230 residues, 1 model selected > log metadata #2 No models had metadata > log chains #2 Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2 --- Chain | Description A B C D E | . F G H | . > select #2/B:1-230 1803 atoms, 1837 bonds, 230 residues, 1 model selected > sequence chain #2/A#2/B#2/C#2/D#2/E Alignment identifier is 2 > select #2/B:1-230 1803 atoms, 1837 bonds, 230 residues, 1 model selected > color sel hot pink > color sel gray > select #2/D:1-230 1803 atoms, 1837 bonds, 230 residues, 1 model selected > color sel dark gray > select #2/E:1-230 1803 atoms, 1837 bonds, 230 residues, 1 model selected > color sel dim gray > log metadata #2 No models had metadata > log chains #2 Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2 --- Chain | Description A B C D E | . F G H | . > sequence chain #2/F#2/G#2/H Alignment identifier is 3 > select #2/F-H:1 24 atoms, 21 bonds, 3 residues, 1 model selected > select #2/F-H:1-85 1821 atoms, 1827 bonds, 255 residues, 1 model selected > color sel blue > select #2/F-H:86 27 atoms, 24 bonds, 3 residues, 1 model selected > select #2/F-H:86-164 1881 atoms, 1911 bonds, 237 residues, 1 model selected > color sel yellow > select #2/F-H:165 24 atoms, 21 bonds, 3 residues, 1 model selected > select #2/F-H:165-194 678 atoms, 681 bonds, 90 residues, 1 model selected > color sel blue > select #2/F-H:195 18 atoms, 15 bonds, 3 residues, 1 model selected > select #2/F-H:195-231 804 atoms, 807 bonds, 111 residues, 1 model selected > color sel magenta > select #2/F-H:232 24 atoms, 21 bonds, 3 residues, 1 model selected > select #2/F-H:232-311 1803 atoms, 1836 bonds, 240 residues, 1 model selected > color sel lime > select #2/F-H:312 24 atoms, 21 bonds, 3 residues, 1 model selected > select #2/F-H:312-358 1068 atoms, 1077 bonds, 141 residues, 1 model selected > color sel magenta > select #2/F-H:359 12 atoms, 9 bonds, 3 residues, 1 model selected > select #2/F-H:359-420 1479 atoms, 1515 bonds, 186 residues, 1 model selected > color sel blue > select :73.h Expected an objects specifier or a keyword > select:73.h Unknown command: select:73.h > select :150.a Expected an objects specifier or a keyword > close #3 > close #1 > close #4 > close #5 > select :150.a Expected an objects specifier or a keyword > close #2.1 > select :150.a Expected an objects specifier or a keyword > select #1:88.a Expected an objects specifier or a keyword > select #2:88.a Expected an objects specifier or a keyword > select chainG Expected an objects specifier or a keyword > select /G 3178 atoms, 3224 bonds, 420 residues, 1 model selected > select /F-H:163-164 48 atoms, 48 bonds, 6 residues, 1 model selected > select /F-H:163-166 96 atoms, 96 bonds, 12 residues, 1 model selected > select /F-H:159-160 54 atoms, 54 bonds, 6 residues, 1 model selected > select /F-H:159-184 606 atoms, 609 bonds, 78 residues, 1 model selected > select > /F-H:9-15,19-27,33-42,78-83,89-98,125-132,134-137,153-164,181-187,206-211,216-222,225-232,274-277,286-289,331-335,356-358,364-366 2580 atoms, 2565 bonds, 339 residues, 1 model selected > select /G 3178 atoms, 3224 bonds, 420 residues, 1 model selected > select /G:73 8 atoms, 7 bonds, 1 residue, 1 model selected > color sel red > style sel sphere Changed 8 atom styles > style sel sphere Changed 8 atom styles > show sel surfaces > color (#!2 & sel) red > show sel atoms > hide sel surfaces > select /G:67 9 atoms, 8 bonds, 1 residue, 1 model selected > show sel atoms > color (#!2 & sel) orange > select /C:88 9 atoms, 8 bonds, 1 residue, 1 model selected > log metadata #2 No models had metadata > log chains #2 Chain information for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif #2 --- Chain | Description A B C D E | . F G H | . > sequence chain #2/A#2/B#2/C#2/D#2/E Alignment identifier is 1 > select /C:88 9 atoms, 8 bonds, 1 residue, 1 model selected > show sel atoms > color sel red > select /C:95 11 atoms, 10 bonds, 1 residue, 1 model selected > show sel atoms > color sel orange > save ""/Users/christophebernard_1/Documents/Prof > CSB/1_Labo/1_Documentation/4_Structure/Prédiction CSB et > Lara/1_TolQ_FtsA/B_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37/fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cxs"" > select /C:92 11 atoms, 10 bonds, 1 residue, 1 model selected > show sel atoms > color sel orange > select /G:71 8 atoms, 7 bonds, 1 residue, 1 model selected > show sel atoms > color (#!2 & sel) orange > select /F:102 9 atoms, 8 bonds, 1 residue, 1 model selected > show sel atoms > color sel red > select /F:140 9 atoms, 8 bonds, 1 residue, 1 model selected > show sel atoms > color sel orange > select /F:150 COLOR ORANGE Expected a keyword > select /F:150 Color orage Expected a keyword > select /F:150 6 atoms, 5 bonds, 1 residue, 1 model selected > show sel atoms > color sel orange > select /F:204 8 atoms, 7 bonds, 1 residue, 1 model selected > color sel orange > show sel atoms > select /F:330 5 atoms, 4 bonds, 1 residue, 1 model selected > color sel orange > show sel atoms > select /G:330 5 atoms, 4 bonds, 1 residue, 1 model selected > color (#!2 & sel) orange > show sel atoms > select /G:102 9 atoms, 8 bonds, 1 residue, 1 model selected > show sel atoms > color (#!2 & sel) red > select /G:140 9 atoms, 8 bonds, 1 residue, 1 model selected > show sel atoms > color (#!2 & sel) orange > select /G:150 6 atoms, 5 bonds, 1 residue, 1 model selected > show sel atoms > color (#!2 & sel) orange > select /G:204 8 atoms, 7 bonds, 1 residue, 1 model selected > show sel atoms > color (#!2 & sel) orange > select /G:170 8 atoms, 7 bonds, 1 residue, 1 model selected > show sel atoms > color (#!2 & sel) orange > select /G:169 9 atoms, 8 bonds, 1 residue, 1 model selected > show sel atoms > color (#!2 & sel) red > select /G:52 8 atoms, 7 bonds, 1 residue, 1 model selected > show sel atoms > color (#!2 & sel) orange > select /G:170 8 atoms, 7 bonds, 1 residue, 1 model selected > show sel atoms > color (#!2 & sel) orange > select /G:173 9 atoms, 8 bonds, 1 residue, 1 model selected > show sel atoms > color (#!2 & sel) orange > select /G:245 12 atoms, 12 bonds, 1 residue, 1 model selected > color (#!2 & sel) orange > select /G:283 11 atoms, 10 bonds, 1 residue, 1 model selected > show sel atoms > color (#!2 & sel) orange > select /H:283 11 atoms, 10 bonds, 1 residue, 1 model selected > show sel atoms > color sel orange > select /H:169 9 atoms, 8 bonds, 1 residue, 1 model selected > show sel atoms > hide sel atoms > show sel atoms > color sel red > select /H:52 8 atoms, 7 bonds, 1 residue, 1 model selected > show sel atoms > color sel orange > select /H:170 8 atoms, 7 bonds, 1 residue, 1 model selected > show sel atoms > color sel orange > select /H:173 9 atoms, 8 bonds, 1 residue, 1 model selected > color sel orange > select /H:245 12 atoms, 12 bonds, 1 residue, 1 model selected > show sel atoms > color sel orange > movie record > turn y 2 180 > wait 180 > movie encode /Users/christophebernard_1/Desktop/movie8.mp4 Movie saved to /Users/christophebernard_1/Desktop/movie8.mp4 > ui tool show ""AlphaFold Error Plot"" > alphafold pae #2 file ""/Users/christophebernard_1/Documents/Prof > CSB/1_Labo/1_Documentation/4_Structure/Prédiction CSB et > Lara/1_TolQ_FtsA/B_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37/fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_full_data_1.json"" > color /C:5 lime > color /F:75 magenta > color bfactor #2 palette alphafold 18549 atoms, 2410 residues, 1 surfaces, atom bfactor range 17.5 to 92.7 > movie record > turn y 2 180 > wait 180 > movie encode /Users/christophebernard_1/Desktop/movie9.mp4 Movie saved to /Users/christophebernard_1/Desktop/movie9.mp4 > undo > redo > undo > redo > coulombic sel Using Amber 20 recommended default charges and atom types for standard residues Coulombic values for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_H SES surface #2.2: minimum, -21.40, mean -2.23, maximum 10.18 To also show corresponding color key, enter the above coulombic command and add key true > hide #2.2 models > hide #2.1 models > hide #!2 models > show #!2 models > show #2.1 models > show #2.2 models > hide #2.1 models > hide #2.2 models > show #2.1 models > show #2.2 models > mlp sel Map values for surface ""fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_H SES surface"": minimum -31.91, mean -4.95, maximum 23.37 To also show corresponding color key, enter the above mlp command and add key true > select add #2 18549 atoms, 18857 bonds, 2410 residues, 2 models selected > mlp sel Map values for surface ""fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_A SES surface"": minimum -27.02, mean -2.232, maximum 24.17 Map values for surface ""fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_B SES surface"": minimum -26.6, mean -2.26, maximum 25.08 Map values for surface ""fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_C SES surface"": minimum -27.21, mean -2.297, maximum 24.27 Map values for surface ""fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_D SES surface"": minimum -27.12, mean -2.259, maximum 23.59 Map values for surface ""fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_E SES surface"": minimum -27.07, mean -2.29, maximum 25.08 Map values for surface ""fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_F SES surface"": minimum -31.93, mean -5.001, maximum 24.52 Map values for surface ""fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_G SES surface"": minimum -32.02, mean -5.035, maximum 24.52 Map values for surface ""fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_H SES surface"": minimum -31.91, mean -4.95, maximum 23.37 To also show corresponding color key, enter the above mlp command and add key true > movie record > turn y 2 180 > wait 180 > movie encode /Users/christophebernard_1/Desktop/movie10.mp4 Movie saved to /Users/christophebernard_1/Desktop/movie10.mp4 > coulombic sel Using Amber 20 recommended default charges and atom types for standard residues Coulombic values for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_A SES surface #2.3: minimum, -17.67, mean -1.00, maximum 13.72 Coulombic values for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_B SES surface #2.4: minimum, -17.65, mean -1.01, maximum 14.10 Coulombic values for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_C SES surface #2.5: minimum, -17.21, mean -1.02, maximum 13.54 Coulombic values for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_D SES surface #2.6: minimum, -17.64, mean -1.01, maximum 25.55 Coulombic values for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_E SES surface #2.7: minimum, -17.46, mean -1.01, maximum 13.95 Coulombic values for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_F SES surface #2.8: minimum, -17.12, mean -2.22, maximum 9.68 Coulombic values for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_G SES surface #2.1: minimum, -18.54, mean -2.26, maximum 10.05 Coulombic values for fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cif_H SES surface #2.2: minimum, -21.40, mean -2.23, maximum 10.18 To also show corresponding color key, enter the above coulombic command and add key true > movie record > turn y 2 180 > wait 180 > movie encode /Users/christophebernard_1/Desktop/movie11.mp4 Movie saved to /Users/christophebernard_1/Desktop/movie11.mp4 > save /Users/christophebernard_1/Desktop/image1.png supersample 3 > save /Users/christophebernard_1/Desktop/image2.png supersample 3 > show sel cartoons > hide sel surfaces > show sel cartoons > close #2 > open ""/Users/christophebernard_1/Documents/Prof > CSB/1_Labo/1_Documentation/4_Structure/Prédiction CSB et > Lara/1_TolQ_FtsA/B_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37/fold_b_1_3_2_tolq_penta_ftsax3_2025_04_09_11_37_model_1.cxs"" opened ChimeraX session > movie record > turn y 2 180 > wait 180 > movie encode /Users/christophebernard_1/Desktop/movie12.mp4 Movie saved to /Users/christophebernard_1/Desktop/movie12.mp4 > movie record > turn y 2 180 > wait 180 > movie encode /Users/christophebernard_1/Desktop/movie13.mp4 Movie saved to /Users/christophebernard_1/Desktop/movie13.mp4 ===== Log before crash end ===== Log: Startup Messages --- note | available bundle cache has not been initialized yet UCSF ChimeraX version: 1.9 (2024-12-11) © 2016-2024 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX OpenGL version: 4.1 Metal - 88.1 OpenGL renderer: Apple M1 Pro OpenGL vendor: Apple Python: 3.11.4 Locale: UTF-8 Qt version: PyQt6 6.7.1, Qt 6.7.1 Qt runtime version: 6.7.3 Qt platform: cocoa Hardware: Hardware Overview: Model Name: MacBook Pro Model Identifier: MacBookPro18,3 Model Number: Z15J000Y8FN/A Chip: Apple M1 Pro Total Number of Cores: 8 (6 performance and 2 efficiency) Memory: 16 GB System Firmware Version: 10151.140.19 OS Loader Version: 10151.140.19 Software: System Software Overview: System Version: macOS 14.6.1 (23G93) Kernel Version: Darwin 23.6.0 Time since boot: 8 jours, 1 heure et 44 minutes Graphics/Displays: Apple M1 Pro: Chipset Model: Apple M1 Pro Type: GPU Bus: Built-In Total Number of Cores: 14 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: 1.0.0 anyio: 4.7.0 appdirs: 1.4.4 appnope: 0.1.4 asttokens: 3.0.0 auditwheel: 6.1.0 babel: 2.16.0 beautifulsoup4: 4.12.3 blockdiag: 3.0.0 blosc2: 3.0.0 build: 1.2.1 certifi: 2023.11.17 cftime: 1.6.4.post1 charset-normalizer: 3.4.0 ChimeraX-AddCharge: 1.5.18 ChimeraX-AddH: 2.2.6 ChimeraX-AlignmentAlgorithms: 2.0.2 ChimeraX-AlignmentHdrs: 3.5 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.16.1 ChimeraX-AlphaFold: 1.0.1 ChimeraX-AltlocExplorer: 1.1.2 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.58.8 ChimeraX-AtomicLibrary: 14.1.11 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.4 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 3.0.0 ChimeraX-BondRot: 2.0.4 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.13.1 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.4.0 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.4 ChimeraX-ChangeChains: 1.1 ChimeraX-CheckWaters: 1.4 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.3 ChimeraX-ColorActions: 1.0.5 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.6 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.9 ChimeraX-CoreFormats: 1.2 ChimeraX-coulombic: 1.4.4 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2.6 ChimeraX-DistMonitor: 1.4.2 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: 1.4.1 ChimeraX-Hbonds: 2.5 ChimeraX-Help: 1.3 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.3 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-IUPAC: 1.0 ChimeraX-KVFinder: 1.2.1 ChimeraX-Label: 1.1.14 ChimeraX-ListInfo: 1.2.2 ChimeraX-Log: 1.2 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.9.1 ChimeraX-Map: 1.3 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: 2.1.6 ChimeraX-MCopy: 1.0 ChimeraX-MDcrds: 2.7.2 ChimeraX-MedicalToolbar: 1.1 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.14.2 ChimeraX-MMTF: 2.2 ChimeraX-ModelArchive: 1.0 ChimeraX-Modeller: 1.5.18 ChimeraX-ModelPanel: 1.5 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-MutationScores: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.2 ChimeraX-NMRSTAR: 1.0.2 ChimeraX-NRRD: 1.2 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.14 ChimeraX-OrthoPick: 1.0.1 ChimeraX-PDB: 2.7.6 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: 1.1.2 ChimeraX-PubChem: 2.2 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.2 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.6.2 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.3.1 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-Segmentations: 3.5.6 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.14 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.2.0 ChimeraX-ShowSequences: 1.0.3 ChimeraX-SideView: 1.0.1 ChimeraX-SimilarStructures: 1.0.1 ChimeraX-Smiles: 2.1.2 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.18.1 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.2.1 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.5 ChimeraX-TapeMeasure: 1.0 ChimeraX-TaskManager: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.2.3 ChimeraX-ToolshedUtils: 1.2.4 ChimeraX-Topography: 1.0 ChimeraX-ToQuest: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.41 ChimeraX-Umap: 1.0 ChimeraX-uniprot: 2.3.1 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.4.4 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: 1.1.4 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.2.2 contourpy: 1.3.1 cxservices: 1.2.3 cycler: 0.12.1 Cython: 3.0.10 debugpy: 1.8.9 decorator: 5.1.1 docutils: 0.21.2 executing: 2.1.0 filelock: 3.15.4 fonttools: 4.55.3 funcparserlib: 2.0.0a0 glfw: 2.8.0 grako: 3.16.5 h11: 0.14.0 h5py: 3.12.1 html2text: 2024.2.26 httpcore: 1.0.7 httpx: 0.28.1 idna: 3.10 ihm: 1.3 imagecodecs: 2024.6.1 imagesize: 1.4.1 ipykernel: 6.29.5 ipython: 8.26.0 ipywidgets: 8.1.5 jedi: 0.19.1 Jinja2: 3.1.4 jupyter_client: 8.6.2 jupyter_core: 5.7.2 jupyterlab_widgets: 3.0.13 kiwisolver: 1.4.7 line_profiler: 4.1.3 lxml: 5.2.2 lz4: 4.3.3 MarkupSafe: 3.0.2 matplotlib: 3.9.2 matplotlib-inline: 0.1.7 msgpack: 1.0.8 ndindex: 1.9.2 nest-asyncio: 1.6.0 netCDF4: 1.6.5 networkx: 3.3 nibabel: 5.2.0 nptyping: 2.5.0 numexpr: 2.10.2 numpy: 1.26.4 openvr: 1.26.701 packaging: 23.2 ParmEd: 4.2.2 parso: 0.8.4 pep517: 0.13.1 pexpect: 4.9.0 pillow: 10.4.0 pip: 24.2 pkginfo: 1.11.1 platformdirs: 4.3.6 prompt_toolkit: 3.0.48 psutil: 6.0.0 ptyprocess: 0.7.0 pure_eval: 0.2.3 py-cpuinfo: 9.0.0 pycollada: 0.8 pydicom: 2.4.4 pyelftools: 0.31 Pygments: 2.18.0 pynmrstar: 3.3.4 pynrrd: 1.0.0 PyOpenGL: 3.1.7 PyOpenGL-accelerate: 3.1.7 pyopenxr: 1.0.3401 pyparsing: 3.2.0 pyproject_hooks: 1.2.0 PyQt6-commercial: 6.7.1 PyQt6-Qt6: 6.7.3 PyQt6-WebEngine-commercial: 6.7.0 PyQt6-WebEngine-Qt6: 6.7.3 PyQt6-WebEngineSubwheel-Qt6: 6.7.3 PyQt6_sip: 13.8.0 python-dateutil: 2.9.0.post0 pytz: 2024.2 pyzmq: 26.2.0 qtconsole: 5.5.2 QtPy: 2.4.2 qtshim: 1.0 RandomWords: 0.4.0 requests: 2.32.3 scipy: 1.14.0 setuptools: 72.1.0 sfftk-rw: 0.8.1 six: 1.16.0 sniffio: 1.3.1 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.6 Sphinx: 8.0.2 sphinx-autodoc-typehints: 2.2.3 sphinxcontrib-applehelp: 2.0.0 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 2.0.0 sphinxcontrib-htmlhelp: 2.1.0 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 2.0.0 sphinxcontrib-serializinghtml: 2.0.0 stack-data: 0.6.3 superqt: 0.6.3 tables: 3.10.1 tcia_utils: 1.5.1 tifffile: 2024.7.24 tinyarray: 1.2.4 tornado: 6.4.2 traitlets: 5.14.3 typing_extensions: 4.12.2 tzdata: 2024.2 urllib3: 2.2.3 wcwidth: 0.2.13 webcolors: 24.6.0 wheel: 0.43.0 wheel-filename: 1.4.1 widgetsnbextension: 4.0.13 }}} " defect assigned normal Window Toolkit all ChimeraX