Opened 6 months ago

Closed 6 months ago

#17358 closed defect (duplicate)

Crash on Mac waking from sleep

Reported by: chimerax-bug-report@… Owned by: Tom Goddard
Priority: normal Milestone:
Component: Window Toolkit Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description (last modified by pett) 

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 "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 522 in _handle_workers
  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 0x0000000319067000 (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 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 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 0x0000000316043000 (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 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 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 0x000000031301f000 (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 0x0000000312013000 (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

Current thread 0x00000001ec018f40 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 330 in event_loop
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1054 in init
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1217 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.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, charset_normalizer.md, requests.packages.charset_normalizer.md, requests.packages.chardet.md, PIL._imaging, kiwisolver._cext, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.surface._surface, chimerax.pdb_lib._load_libs, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.pdb._pdbio, PIL._imagingmath, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, chimerax.atom_search.ast, chimerax.chem_group._chem_group, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, chimerax.coulombic._esp, chimerax.mlp._mlp, lxml._elementpath, lxml.etree (total: 65)


{"app_name":"ChimeraX","timestamp":"2025-04-10 15:35:26.00 +0200","app_version":"1.9.0","slice_uuid":"17982d98-65bc-3327-8526-577ec996453c","build_version":"1.9.0.0","platform":1,"bundleID":"edu.ucsf.cgl.ChimeraX","share_with_app_devs":0,"is_first_party":0,"bug_type":"309","os_version":"macOS 14.6.1 (23G93)","roots_installed":0,"name":"ChimeraX","incident_id":"23046E4E-AD0D-4E8E-9EDD-9EAD077FEBA4"}
{
  "uptime" : 230000,
  "procRole" : "Background",
  "version" : 2,
  "userID" : 504,
  "deployVersion" : 210,
  "modelCode" : "MacBookPro18,3",
  "coalitionID" : 3182,
  "osVersion" : {
    "train" : "macOS 14.6.1",
    "build" : "23G93",
    "releaseType" : "User"
  },
  "captureTime" : "2025-04-10 15:35:10.0791 +0200",
  "codeSigningMonitor" : 1,
  "incident" : "23046E4E-AD0D-4E8E-9EDD-9EAD077FEBA4",
  "pid" : 95538,
  "translated" : false,
  "cpuType" : "ARM-64",
  "roots_installed" : 0,
  "bug_type" : "309",
  "procLaunch" : "2025-04-09 12:00:37.3844 +0200",
  "procStartAbsTime" : 4630596763495,
  "procExitAbsTime" : 5735295268015,
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX-1.9.app\/Contents\/MacOS\/ChimeraX",
  "bundleInfo" : {"CFBundleShortVersionString":"1.9.0","CFBundleVersion":"1.9.0.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
  "storeInfo" : {"deviceIdentifierForVendor":"369AFA8A-C426-5061-AC1A-14374D62D880","thirdParty":true},
  "parentProc" : "launchd",
  "parentPid" : 1,
  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "DDB467F0-ED21-0693-2997-F8955A98C4E4",
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
  "codeSigningValidationCategory" : 6,
  "codeSigningTrustLevel" : 4294967295,
  "instructionByteStream" : {"beforePC":"fyMD1f17v6n9AwCRd+D\/l78DAJH9e8Go\/w9f1sADX9YQKYDSARAA1A==","atPC":"AwEAVH8jA9X9e7+p\/QMAkWzg\/5e\/AwCR\/XvBqP8PX9bAA1\/WcAqA0g=="},
  "wakeTime" : 11,
  "sleepWakeUUID" : "B23B54E7-4707-46ED-9094-755B19BAAAF4",
  "sip" : "enabled",
  "vmRegionInfo" : "0x169 is not in any region.  Bytes before following region: 4371250839\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      __TEXT                      1048c0000-1048c4000    [   16K] r-x\/r-x SM=COW  \/Applications\/ChimeraX-1.9.app\/Contents\/MacOS\/ChimeraX",
  "exception" : {"codes":"0x0000000000000001, 0x0000000000000169","rawCodes":[1,361],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x0000000000000169"},
  "termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":95538},
  "ktriageinfo" : "VM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\n",
  "vmregioninfo" : "0x169 is not in any region.  Bytes before following region: 4371250839\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      __TEXT                      1048c0000-1048c4000    [   16K] r-x\/r-x SM=COW  \/Applications\/ChimeraX-1.9.app\/Contents\/MacOS\/ChimeraX",
  "extMods" : {"caller":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"system":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"targeted":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"warnings":0},
  "faultingThread" : 0,
  "threads" : 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===== Log before crash start =====
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  

> 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

Change History (2)

comment:1 by pett, 6 months ago

Component: Unassigned → Window Toolkit
Description: modified (diff)
Owner: set to Tom Goddard
Platform: → all
Project: → ChimeraX
Status: new → assigned
Summary: ChimeraX bug report submission → Crash on Mac waking from sleep

comment:2 by pett, 6 months ago

Resolution: → duplicate
Status: assigned → closed
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