﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
14685	Crash in garbage collection	chimerax-bug-report@…	Eric Pettersen	"{{{
The following bug report has been submitted:
Platform:        macOS-14.3.1-x86_64-i386-64bit
ChimeraX Version: 1.7.1 (2024-01-23 01:58:08 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Current thread 0x0000000200f3c240 (most recent call first):
  Garbage-collecting
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/logger.py"", line 508 in _log
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/logger.py"", line 480 in warning
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/pdb/pdb.py"", line 89 in open_pdb
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/pdb/__init__.py"", line 45 in open
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/open_command/cmd.py"", line 484 in remember_data_format
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/open_command/cmd.py"", line 513 in collated_open
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/open_command/cmd.py"", line 213 in provider_open
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py"", line 2908 in run
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/open_command/cmd.py"", line 131 in cmd_open
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py"", line 2908 in run
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/run.py"", line 49 in run
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 1979 in _open_dropped_file
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 614 in dropEvent
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 275 in event_loop
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 918 in init
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1069 in 
  File """", line 88 in _run_code
  File """", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtWebChannel, PyQt6.QtNetwork, PyQt6.QtWebEngineCore, PyQt6.QtPrintSupport, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, charset_normalizer.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.surface._surface, chimerax.pdb_lib._load_libs, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, PIL._imagingmath, chimerax.atom_search.ast, chimerax.chem_group._chem_group, chimerax.mlp._mlp, chimerax.coulombic._esp (total: 57)


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[deleted to fit within ticket limits]

> hide #!8 models

> show #!9 models

> contacts /B restrict /A interModel false intraMol false ignoreHiddenModels
> true select true color #ff2600 reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: False
    
    142 contacts
                atom1                            atom2                overlap  distance
    A11_APL1_9.pdb #9/B LYS 10 OXT  A11_APL1_9.pdb #9/A THR 80 1HG2    0.257    2.223
    A11_APL1_9.pdb #9/B VAL 2 CG1   A11_APL1_9.pdb #9/A TYR 9 OH       0.204    2.996
    A11_APL1_9.pdb #9/B VAL 2 CG1   A11_APL1_9.pdb #9/A TYR 7 CE2      0.194    3.206
    A11_APL1_9.pdb #9/B SER 1 O     A11_APL1_9.pdb #9/A TYR 159 HH     0.180    1.900
    A11_APL1_9.pdb #9/B VAL 8 O     A11_APL1_9.pdb #9/A TRP 147 HE1    0.179    1.901
    A11_APL1_9.pdb #9/B SER 1 2H    A11_APL1_9.pdb #9/A TYR 171 OH     0.168    1.932
    A11_APL1_9.pdb #9/B LYS 10 O    A11_APL1_9.pdb #9/A THR 143 HG1    0.165    1.915
    A11_APL1_9.pdb #9/B LYS 10 1HZ  A11_APL1_9.pdb #9/A ASP 116 OD2    0.156    1.924
    A11_APL1_9.pdb #9/B VAL 2 3HG2  A11_APL1_9.pdb #9/A ASN 66 CB      0.140    2.560
    A11_APL1_9.pdb #9/B VAL 2 CG2   A11_APL1_9.pdb #9/A ASN 66 1HB     0.137    2.563
    A11_APL1_9.pdb #9/B VAL 2 3HG2  A11_APL1_9.pdb #9/A ASN 66 1HB     0.131    1.869
    A11_APL1_9.pdb #9/B VAL 2 O     A11_APL1_9.pdb #9/A ASN 66 2HD2    0.124    1.956
    A11_APL1_9.pdb #9/B LYS 10 C    A11_APL1_9.pdb #9/A TYR 84 HH      0.114    2.586
    A11_APL1_9.pdb #9/B LYS 10 O    A11_APL1_9.pdb #9/A TYR 84 HH      0.098    1.982
    A11_APL1_9.pdb #9/B LYS 10 H    A11_APL1_9.pdb #9/A ASP 77 OD1     0.082    1.998
    A11_APL1_9.pdb #9/B VAL 2 2HG1  A11_APL1_9.pdb #9/A TYR 7 CE2      0.080    2.620
    A11_APL1_9.pdb #9/B LYS 10 OXT  A11_APL1_9.pdb #9/A LYS 146 2HZ    0.055    2.025
    A11_APL1_9.pdb #9/B LYS 10 2HB  A11_APL1_9.pdb #9/A THR 143 OG1    0.045    2.455
    A11_APL1_9.pdb #9/B VAL 3 HB    A11_APL1_9.pdb #9/A TYR 159 CD1    0.027    2.673
    A11_APL1_9.pdb #9/B VAL 8 HB    A11_APL1_9.pdb #9/A TRP 147 CD1    0.017    2.683
    A11_APL1_9.pdb #9/B VAL 2 1HG1  A11_APL1_9.pdb #9/A TYR 9 OH       0.017    2.483
    A11_APL1_9.pdb #9/B LYS 10 O    A11_APL1_9.pdb #9/A TYR 84 HE2     0.015    2.465
    A11_APL1_9.pdb #9/B VAL 8 O     A11_APL1_9.pdb #9/A TRP 147 NE1    0.005    2.700
    A11_APL1_9.pdb #9/B VAL 2 CG2   A11_APL1_9.pdb #9/A ASN 66 CB      -0.012    3.412
    A11_APL1_9.pdb #9/B LYS 10 3HZ  A11_APL1_9.pdb #9/A TRP 147 CZ2    -0.013    2.713
    A11_APL1_9.pdb #9/B VAL 8 C     A11_APL1_9.pdb #9/A TRP 147 HE1    -0.014    2.714
    A11_APL1_9.pdb #9/B VAL 2 CG1   A11_APL1_9.pdb #9/A TYR 7 CZ       -0.024    3.424
    A11_APL1_9.pdb #9/B VAL 8 HB    A11_APL1_9.pdb #9/A TRP 147 NE1    -0.036    2.661
    A11_APL1_9.pdb #9/B VAL 2 2HG1  A11_APL1_9.pdb #9/A TYR 99 OH      -0.048    2.548
    A11_APL1_9.pdb #9/B LYS 10 1HZ  A11_APL1_9.pdb #9/A ASP 116 CG     -0.050    2.750
    A11_APL1_9.pdb #9/B LYS 10 C    A11_APL1_9.pdb #9/A THR 143 HG1    -0.059    2.759
    A11_APL1_9.pdb #9/B VAL 2 2HG1  A11_APL1_9.pdb #9/A TYR 7 CZ       -0.064    2.764
    A11_APL1_9.pdb #9/B SER 1 1HB   A11_APL1_9.pdb #9/A GLU 63 2HG     -0.067    2.067
    A11_APL1_9.pdb #9/B LYS 10 2HD  A11_APL1_9.pdb #9/A TYR 123 CE2    -0.069    2.769
    A11_APL1_9.pdb #9/B GLY 4 1HA   A11_APL1_9.pdb #9/A ASN 66 CG      -0.074    2.774
    A11_APL1_9.pdb #9/B LYS 10 C    A11_APL1_9.pdb #9/A LYS 146 1HD    -0.076    2.776
    A11_APL1_9.pdb #9/B LYS 10 3HZ  A11_APL1_9.pdb #9/A TRP 147 CH2    -0.086    2.786
    A11_APL1_9.pdb #9/B VAL 2 2HG1  A11_APL1_9.pdb #9/A TYR 7 CD2      -0.091    2.791
    A11_APL1_9.pdb #9/B LYS 10 2HG  A11_APL1_9.pdb #9/A ASP 77 CG      -0.091    2.791
    A11_APL1_9.pdb #9/B LYS 10 CB   A11_APL1_9.pdb #9/A THR 143 OG1    -0.111    3.311
    A11_APL1_9.pdb #9/B LYS 10 O    A11_APL1_9.pdb #9/A TYR 84 CE2     -0.118    3.298
    A11_APL1_9.pdb #9/B VAL 3 HB    A11_APL1_9.pdb #9/A TYR 159 CE1    -0.120    2.820
    A11_APL1_9.pdb #9/B LYS 10 OXT  A11_APL1_9.pdb #9/A THR 80 CG2     -0.124    3.304
    A11_APL1_9.pdb #9/B VAL 2 CG1   A11_APL1_9.pdb #9/A TYR 99 OH      -0.138    3.338
    A11_APL1_9.pdb #9/B LYS 10 NZ   A11_APL1_9.pdb #9/A ASP 116 OD2    -0.142    2.847
    A11_APL1_9.pdb #9/B VAL 8 C     A11_APL1_9.pdb #9/A TRP 147 NE1    -0.146    3.471
    A11_APL1_9.pdb #9/B LYS 10 C    A11_APL1_9.pdb #9/A THR 80 1HG2    -0.148    2.848
    A11_APL1_9.pdb #9/B LYS 10 HA   A11_APL1_9.pdb #9/A THR 143 3HG2   -0.151    2.151
    A11_APL1_9.pdb #9/B LYS 10 O    A11_APL1_9.pdb #9/A LYS 146 1HD    -0.153    2.633
    A11_APL1_9.pdb #9/B LYS 10 C    A11_APL1_9.pdb #9/A LYS 146 2HZ    -0.160    2.860
    A11_APL1_9.pdb #9/B LYS 10 2HB  A11_APL1_9.pdb #9/A THR 143 HG1    -0.162    2.162
    A11_APL1_9.pdb #9/B LYS 10 O    A11_APL1_9.pdb #9/A THR 143 HA     -0.165    2.645
    A11_APL1_9.pdb #9/B GLY 4 CA    A11_APL1_9.pdb #9/A ASN 66 CG      -0.172    3.572
    A11_APL1_9.pdb #9/B VAL 3 O     A11_APL1_9.pdb #9/A ASN 66 2HB     -0.173    2.653
    A11_APL1_9.pdb #9/B VAL 2 CG1   A11_APL1_9.pdb #9/A TYR 7 CD2      -0.179    3.579
    A11_APL1_9.pdb #9/B SER 1 N     A11_APL1_9.pdb #9/A TYR 171 OH     -0.181    2.906
    A11_APL1_9.pdb #9/B VAL 2 H     A11_APL1_9.pdb #9/A GLU 63 2HG     -0.181    2.181
    A11_APL1_9.pdb #9/B VAL 8 O     A11_APL1_9.pdb #9/A TRP 147 CE2    -0.186    3.366
    A11_APL1_9.pdb #9/B LYS 10 CG   A11_APL1_9.pdb #9/A ASP 77 CG      -0.186    3.586
    A11_APL1_9.pdb #9/B SER 1 C     A11_APL1_9.pdb #9/A TYR 7 OH       -0.189    3.389
    A11_APL1_9.pdb #9/B VAL 2 O     A11_APL1_9.pdb #9/A ASN 66 ND2     -0.193    2.898
    A11_APL1_9.pdb #9/B SER 1 N     A11_APL1_9.pdb #9/A TRP 167 CG     -0.206    3.531
    A11_APL1_9.pdb #9/B GLY 4 1HA   A11_APL1_9.pdb #9/A ASN 66 OD1     -0.213    2.693
    A11_APL1_9.pdb #9/B VAL 2 HA    A11_APL1_9.pdb #9/A TYR 99 HH      -0.215    2.215
    A11_APL1_9.pdb #9/B VAL 3 CB    A11_APL1_9.pdb #9/A TYR 159 CD1    -0.217    3.617
    A11_APL1_9.pdb #9/B LYS 10 1HD  A11_APL1_9.pdb #9/A ASP 77 2HB     -0.221    2.221
    A11_APL1_9.pdb #9/B VAL 8 CB    A11_APL1_9.pdb #9/A TRP 147 CD1    -0.223    3.623
    A11_APL1_9.pdb #9/B LYS 10 NZ   A11_APL1_9.pdb #9/A TRP 147 CH2    -0.223    3.548
    A11_APL1_9.pdb #9/B LYS 10 O    A11_APL1_9.pdb #9/A THR 143 CA     -0.224    3.404
    A11_APL1_9.pdb #9/B LYS 10 CD   A11_APL1_9.pdb #9/A LEU 81 1HD1    -0.224    2.924
    A11_APL1_9.pdb #9/B LYS 10 CD   A11_APL1_9.pdb #9/A LEU 81 1HD2    -0.227    2.927
    A11_APL1_9.pdb #9/B VAL 2 CB    A11_APL1_9.pdb #9/A TYR 9 OH       -0.232    3.432
    A11_APL1_9.pdb #9/B VAL 2 CB    A11_APL1_9.pdb #9/A TYR 99 OH      -0.232    3.432
    A11_APL1_9.pdb #9/B LYS 10 C    A11_APL1_9.pdb #9/A TYR 84 OH      -0.233    3.433
    A11_APL1_9.pdb #9/B VAL 8 CB    A11_APL1_9.pdb #9/A TRP 147 NE1    -0.241    3.566
    A11_APL1_9.pdb #9/B LYS 10 CD   A11_APL1_9.pdb #9/A LEU 81 CD1     -0.247    3.647
    A11_APL1_9.pdb #9/B GLY 4 N     A11_APL1_9.pdb #9/A ASN 66 ND2     -0.249    3.499
    A11_APL1_9.pdb #9/B LYS 10 CA   A11_APL1_9.pdb #9/A THR 143 HG1    -0.249    2.949
    A11_APL1_9.pdb #9/B SER 1 O     A11_APL1_9.pdb #9/A TYR 159 OH     -0.251    2.831
    A11_APL1_9.pdb #9/B LYS 10 CD   A11_APL1_9.pdb #9/A LEU 81 CD2     -0.253    3.653
    A11_APL1_9.pdb #9/B LYS 10 OXT  A11_APL1_9.pdb #9/A LYS 146 NZ     -0.254    2.959
    A11_APL1_9.pdb #9/B LYS 10 CB   A11_APL1_9.pdb #9/A THR 143 HG1    -0.255    2.955
    A11_APL1_9.pdb #9/B VAL 2 2HG1  A11_APL1_9.pdb #9/A TYR 99 HH      -0.264    2.264
    A11_APL1_9.pdb #9/B SER 1 N     A11_APL1_9.pdb #9/A TRP 167 CD1    -0.267    3.592
    A11_APL1_9.pdb #9/B SER 1 2HB   A11_APL1_9.pdb #9/A TYR 59 CE1     -0.267    2.967
    A11_APL1_9.pdb #9/B SER 1 1HB   A11_APL1_9.pdb #9/A GLU 63 CG      -0.268    2.968
    A11_APL1_9.pdb #9/B LYS 10 H    A11_APL1_9.pdb #9/A ASP 77 CG      -0.272    2.972
    A11_APL1_9.pdb #9/B SER 1 C     A11_APL1_9.pdb #9/A TYR 159 HH     -0.275    2.975
    A11_APL1_9.pdb #9/B VAL 2 C     A11_APL1_9.pdb #9/A ASN 66 2HD2    -0.276    2.976
    A11_APL1_9.pdb #9/B SER 1 1H    A11_APL1_9.pdb #9/A TRP 167 CD1    -0.280    2.980
    A11_APL1_9.pdb #9/B GLY 4 N     A11_APL1_9.pdb #9/A ASN 66 CG      -0.288    3.613
    A11_APL1_9.pdb #9/B LYS 10 1HG  A11_APL1_9.pdb #9/A THR 143 CG2    -0.289    2.989
    A11_APL1_9.pdb #9/B VAL 3 HB    A11_APL1_9.pdb #9/A TYR 159 CG     -0.292    2.992
    A11_APL1_9.pdb #9/B VAL 2 3HG1  A11_APL1_9.pdb #9/A TYR 7 CE2      -0.294    2.994
    A11_APL1_9.pdb #9/B LYS 10 O    A11_APL1_9.pdb #9/A THR 143 OG1    -0.295    2.875
    A11_APL1_9.pdb #9/B LYS 10 2HZ  A11_APL1_9.pdb #9/A TYR 123 CD2    -0.299    2.999
    A11_APL1_9.pdb #9/B LYS 10 N    A11_APL1_9.pdb #9/A ASP 77 OD1     -0.299    3.004
    A11_APL1_9.pdb #9/B VAL 2 2HG1  A11_APL1_9.pdb #9/A TYR 9 OH       -0.303    2.803
    A11_APL1_9.pdb #9/B SER 1 N     A11_APL1_9.pdb #9/A TYR 59 HE1     -0.305    2.930
    A11_APL1_9.pdb #9/B SER 1 2H    A11_APL1_9.pdb #9/A TYR 171 HH     -0.306    2.306
    A11_APL1_9.pdb #9/B VAL 2 HB    A11_APL1_9.pdb #9/A TYR 9 HH       -0.306    2.306
    A11_APL1_9.pdb #9/B VAL 8 CG2   A11_APL1_9.pdb #9/A ALA 152 2HB    -0.313    3.013
    A11_APL1_9.pdb #9/B VAL 8 1HG2  A11_APL1_9.pdb #9/A ALA 152 2HB    -0.314    2.314
    A11_APL1_9.pdb #9/B LYS 10 CB   A11_APL1_9.pdb #9/A LEU 81 CD1     -0.318    3.718
    A11_APL1_9.pdb #9/B VAL 2 CA    A11_APL1_9.pdb #9/A TYR 99 HH      -0.320    3.020
    A11_APL1_9.pdb #9/B GLY 4 CA    A11_APL1_9.pdb #9/A ASN 66 OD1     -0.321    3.501
    A11_APL1_9.pdb #9/B LYS 10 2HD  A11_APL1_9.pdb #9/A LEU 81 1HD1    -0.323    2.323
    A11_APL1_9.pdb #9/B GLY 9 O     A11_APL1_9.pdb #9/A LYS 146 CD     -0.325    3.505
    A11_APL1_9.pdb #9/B VAL 8 O     A11_APL1_9.pdb #9/A TRP 147 CZ2    -0.327    3.507
    A11_APL1_9.pdb #9/B GLY 4 1HA   A11_APL1_9.pdb #9/A ASN 66 CB      -0.327    3.027
    A11_APL1_9.pdb #9/B LYS 10 2HG  A11_APL1_9.pdb #9/A ASP 77 OD2     -0.340    2.820
    A11_APL1_9.pdb #9/B LYS 10 C    A11_APL1_9.pdb #9/A LYS 146 CD     -0.342    3.742
    A11_APL1_9.pdb #9/B LYS 10 O    A11_APL1_9.pdb #9/A TYR 84 OH      -0.344    2.924
    A11_APL1_9.pdb #9/B LYS 10 3HZ  A11_APL1_9.pdb #9/A TRP 147 HZ2    -0.345    2.345
    A11_APL1_9.pdb #9/B VAL 2 HB    A11_APL1_9.pdb #9/A TYR 9 OH       -0.349    2.849
    A11_APL1_9.pdb #9/B SER 1 1H    A11_APL1_9.pdb #9/A TRP 167 CG     -0.351    3.051
    A11_APL1_9.pdb #9/B VAL 2 CB    A11_APL1_9.pdb #9/A TYR 99 HH      -0.358    3.058
    A11_APL1_9.pdb #9/B VAL 2 2HG1  A11_APL1_9.pdb #9/A TYR 7 CE1      -0.359    3.059
    A11_APL1_9.pdb #9/B LYS 10 NZ   A11_APL1_9.pdb #9/A TRP 147 CZ2    -0.359    3.684
    A11_APL1_9.pdb #9/B LYS 10 O    A11_APL1_9.pdb #9/A TYR 84 CZ      -0.365    3.545
    A11_APL1_9.pdb #9/B VAL 2 CG1   A11_APL1_9.pdb #9/A TYR 99 HH      -0.370    3.070
    A11_APL1_9.pdb #9/B VAL 3 C     A11_APL1_9.pdb #9/A ASN 66 ND2     -0.370    3.695
    A11_APL1_9.pdb #9/B LYS 10 CB   A11_APL1_9.pdb #9/A LEU 81 1HD1    -0.374    3.074
    A11_APL1_9.pdb #9/B LYS 10 NZ   A11_APL1_9.pdb #9/A TRP 147 HH2    -0.374    2.999
    A11_APL1_9.pdb #9/B VAL 2 HA    A11_APL1_9.pdb #9/A TYR 159 OH     -0.376    2.876
    A11_APL1_9.pdb #9/B LYS 10 NZ   A11_APL1_9.pdb #9/A ASP 116 CG     -0.377    3.702
    A11_APL1_9.pdb #9/B VAL 2 HB    A11_APL1_9.pdb #9/A TYR 99 OH      -0.379    2.879
    A11_APL1_9.pdb #9/B VAL 8 1HG1  A11_APL1_9.pdb #9/A ALA 150 CB     -0.379    3.079
    A11_APL1_9.pdb #9/B LYS 10 2HG  A11_APL1_9.pdb #9/A ASP 77 OD1     -0.379    2.859
    A11_APL1_9.pdb #9/B LYS 10 CA   A11_APL1_9.pdb #9/A THR 143 OG1    -0.383    3.583
    A11_APL1_9.pdb #9/B VAL 3 CB    A11_APL1_9.pdb #9/A TYR 159 CE1    -0.384    3.784
    A11_APL1_9.pdb #9/B LYS 10 1HZ  A11_APL1_9.pdb #9/A ASP 116 CB     -0.386    3.086
    A11_APL1_9.pdb #9/B VAL 8 CG1   A11_APL1_9.pdb #9/A TRP 147 CD1    -0.387    3.787
    A11_APL1_9.pdb #9/B VAL 2 2HG2  A11_APL1_9.pdb #9/A GLU 63 2HG     -0.387    2.387
    A11_APL1_9.pdb #9/B LYS 10 CD   A11_APL1_9.pdb #9/A ASP 77 CG      -0.391    3.791
    A11_APL1_9.pdb #9/B LYS 10 OXT  A11_APL1_9.pdb #9/A LYS 146 1HD    -0.393    2.873
    A11_APL1_9.pdb #9/B GLY 9 C     A11_APL1_9.pdb #9/A TRP 147 HE1    -0.393    3.093
    A11_APL1_9.pdb #9/B VAL 2 2HG1  A11_APL1_9.pdb #9/A TYR 7 CG       -0.395    3.095
    A11_APL1_9.pdb #9/B SER 1 3H    A11_APL1_9.pdb #9/A TRP 167 CD1    -0.397    3.097
    A11_APL1_9.pdb #9/B LYS 10 OXT  A11_APL1_9.pdb #9/A LYS 146 CD     -0.397    3.577
    A11_APL1_9.pdb #9/B LYS 10 2HB  A11_APL1_9.pdb #9/A LEU 81 1HD1    -0.397    2.397
    A11_APL1_9.pdb #9/B SER 1 1H    A11_APL1_9.pdb #9/A TRP 167 NE1    -0.399    3.024
    

  
142 contacts  

> contacts /B:1 restrict /A interModel false intraMol false ignoreHiddenModels
> true select true color #ff2600 reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: False
    
    17 contacts
                atom1                           atom2               overlap  distance
    A11_APL1_9.pdb #9/B SER 1 O    A11_APL1_9.pdb #9/A TYR 159 HH    0.180    1.900
    A11_APL1_9.pdb #9/B SER 1 2H   A11_APL1_9.pdb #9/A TYR 171 OH    0.168    1.932
    A11_APL1_9.pdb #9/B SER 1 1HB  A11_APL1_9.pdb #9/A GLU 63 2HG    -0.067    2.067
    A11_APL1_9.pdb #9/B SER 1 N    A11_APL1_9.pdb #9/A TYR 171 OH    -0.181    2.906
    A11_APL1_9.pdb #9/B SER 1 C    A11_APL1_9.pdb #9/A TYR 7 OH      -0.189    3.389
    A11_APL1_9.pdb #9/B SER 1 N    A11_APL1_9.pdb #9/A TRP 167 CG    -0.206    3.531
    A11_APL1_9.pdb #9/B SER 1 O    A11_APL1_9.pdb #9/A TYR 159 OH    -0.251    2.831
    A11_APL1_9.pdb #9/B SER 1 N    A11_APL1_9.pdb #9/A TRP 167 CD1   -0.267    3.592
    A11_APL1_9.pdb #9/B SER 1 2HB  A11_APL1_9.pdb #9/A TYR 59 CE1    -0.267    2.967
    A11_APL1_9.pdb #9/B SER 1 1HB  A11_APL1_9.pdb #9/A GLU 63 CG     -0.268    2.968
    A11_APL1_9.pdb #9/B SER 1 C    A11_APL1_9.pdb #9/A TYR 159 HH    -0.275    2.975
    A11_APL1_9.pdb #9/B SER 1 1H   A11_APL1_9.pdb #9/A TRP 167 CD1   -0.280    2.980
    A11_APL1_9.pdb #9/B SER 1 N    A11_APL1_9.pdb #9/A TYR 59 HE1    -0.305    2.930
    A11_APL1_9.pdb #9/B SER 1 2H   A11_APL1_9.pdb #9/A TYR 171 HH    -0.306    2.306
    A11_APL1_9.pdb #9/B SER 1 1H   A11_APL1_9.pdb #9/A TRP 167 CG    -0.351    3.051
    A11_APL1_9.pdb #9/B SER 1 3H   A11_APL1_9.pdb #9/A TRP 167 CD1   -0.397    3.097
    A11_APL1_9.pdb #9/B SER 1 1H   A11_APL1_9.pdb #9/A TRP 167 NE1   -0.399    3.024
    

  
17 contacts  

> hide #!9 models

> show #!10 models

> contacts /B:1 restrict /A interModel false intraMol false ignoreHiddenModels
> true select true color #ff2600 reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: False
    
    35 contacts
                 atom1                             atom2                overlap  distance
    A11_APL1_10.pdb #10/B SER 1 O    A11_APL1_10.pdb #10/A TYR 159 HH    0.241    1.839
    A11_APL1_10.pdb #10/B SER 1 HA   A11_APL1_10.pdb #10/A GLU 63 CD     0.163    2.537
    A11_APL1_10.pdb #10/B SER 1 HG   A11_APL1_10.pdb #10/A GLU 63 OE2    0.156    1.924
    A11_APL1_10.pdb #10/B SER 1 C    A11_APL1_10.pdb #10/A TYR 7 OH      0.088    3.112
    A11_APL1_10.pdb #10/B SER 1 HA   A11_APL1_10.pdb #10/A GLU 63 OE1    0.084    2.396
    A11_APL1_10.pdb #10/B SER 1 N    A11_APL1_10.pdb #10/A TYR 7 OH      0.021    2.704
    A11_APL1_10.pdb #10/B SER 1 CA   A11_APL1_10.pdb #10/A TYR 7 OH      -0.008    3.208
    A11_APL1_10.pdb #10/B SER 1 N    A11_APL1_10.pdb #10/A TYR 171 OH    -0.048    2.773
    A11_APL1_10.pdb #10/B SER 1 CB   A11_APL1_10.pdb #10/A TRP 167 CD1   -0.095    3.495
    A11_APL1_10.pdb #10/B SER 1 2HB  A11_APL1_10.pdb #10/A TRP 167 CD1   -0.106    2.806
    A11_APL1_10.pdb #10/B SER 1 HA   A11_APL1_10.pdb #10/A GLU 63 OE2    -0.109    2.589
    A11_APL1_10.pdb #10/B SER 1 HG   A11_APL1_10.pdb #10/A GLU 63 CD     -0.147    2.847
    A11_APL1_10.pdb #10/B SER 1 O    A11_APL1_10.pdb #10/A TYR 159 HE1   -0.156    2.636
    A11_APL1_10.pdb #10/B SER 1 CA   A11_APL1_10.pdb #10/A GLU 63 OE1    -0.186    3.366
    A11_APL1_10.pdb #10/B SER 1 CA   A11_APL1_10.pdb #10/A GLU 63 CD     -0.191    3.591
    A11_APL1_10.pdb #10/B SER 1 1H   A11_APL1_10.pdb #10/A TYR 171 OH    -0.196    2.296
    A11_APL1_10.pdb #10/B SER 1 3H   A11_APL1_10.pdb #10/A TYR 7 OH      -0.201    2.301
    A11_APL1_10.pdb #10/B SER 1 2H   A11_APL1_10.pdb #10/A TYR 171 OH    -0.201    2.301
    A11_APL1_10.pdb #10/B SER 1 O    A11_APL1_10.pdb #10/A TYR 159 OH    -0.219    2.799
    A11_APL1_10.pdb #10/B SER 1 1H   A11_APL1_10.pdb #10/A TYR 171 CZ    -0.233    2.933
    A11_APL1_10.pdb #10/B SER 1 C    A11_APL1_10.pdb #10/A TYR 7 CZ      -0.233    3.633
    A11_APL1_10.pdb #10/B SER 1 C    A11_APL1_10.pdb #10/A TYR 7 CE1     -0.239    3.639
    A11_APL1_10.pdb #10/B SER 1 CB   A11_APL1_10.pdb #10/A GLU 63 OE2    -0.244    3.424
    A11_APL1_10.pdb #10/B SER 1 O    A11_APL1_10.pdb #10/A TYR 159 CE1   -0.254    3.434
    A11_APL1_10.pdb #10/B SER 1 C    A11_APL1_10.pdb #10/A TYR 159 HH    -0.260    2.960
    A11_APL1_10.pdb #10/B SER 1 N    A11_APL1_10.pdb #10/A TYR 171 CZ    -0.271    3.596
    A11_APL1_10.pdb #10/B SER 1 OG   A11_APL1_10.pdb #10/A GLU 63 OE2    -0.287    2.867
    A11_APL1_10.pdb #10/B SER 1 N    A11_APL1_10.pdb #10/A TYR 171 CE2   -0.293    3.618
    A11_APL1_10.pdb #10/B SER 1 CA   A11_APL1_10.pdb #10/A GLU 63 OE2    -0.296    3.476
    A11_APL1_10.pdb #10/B SER 1 CB   A11_APL1_10.pdb #10/A TRP 167 CG    -0.317    3.717
    A11_APL1_10.pdb #10/B SER 1 1H   A11_APL1_10.pdb #10/A TYR 171 CE2   -0.336    3.036
    A11_APL1_10.pdb #10/B SER 1 N    A11_APL1_10.pdb #10/A TYR 171 HE2   -0.339    2.964
    A11_APL1_10.pdb #10/B SER 1 O    A11_APL1_10.pdb #10/A TYR 159 CZ    -0.382    3.562
    A11_APL1_10.pdb #10/B SER 1 2H   A11_APL1_10.pdb #10/A TYR 7 OH      -0.395    2.495
    A11_APL1_10.pdb #10/B SER 1 2HB  A11_APL1_10.pdb #10/A TRP 167 CG    -0.399    3.099
    

  
35 contacts  

> contacts /B restrict /A interModel false intraMol false ignoreHiddenModels
> true select true color #ff2600 reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: False
    
    161 contacts
                 atom1                              atom2                 overlap  distance
    A11_APL1_10.pdb #10/B SER 1 O     A11_APL1_10.pdb #10/A TYR 159 HH     0.241    1.839
    A11_APL1_10.pdb #10/B LYS 10 CD   A11_APL1_10.pdb #10/A THR 143 OG1    0.228    2.972
    A11_APL1_10.pdb #10/B LYS 10 H    A11_APL1_10.pdb #10/A ASP 77 OD1     0.218    1.862
    A11_APL1_10.pdb #10/B VAL 2 H     A11_APL1_10.pdb #10/A GLU 63 OE1     0.201    1.879
    A11_APL1_10.pdb #10/B LYS 10 C    A11_APL1_10.pdb #10/A THR 80 HG1     0.184    2.516
    A11_APL1_10.pdb #10/B SER 1 HA    A11_APL1_10.pdb #10/A GLU 63 CD      0.163    2.537
    A11_APL1_10.pdb #10/B LYS 10 O    A11_APL1_10.pdb #10/A THR 80 1HG2    0.163    2.317
    A11_APL1_10.pdb #10/B VAL 8 O     A11_APL1_10.pdb #10/A TRP 147 CH2    0.161    3.019
    A11_APL1_10.pdb #10/B SER 1 HG    A11_APL1_10.pdb #10/A GLU 63 OE2     0.156    1.924
    A11_APL1_10.pdb #10/B VAL 2 2HG1  A11_APL1_10.pdb #10/A TYR 7 CE2      0.154    2.546
    A11_APL1_10.pdb #10/B LYS 10 1HD  A11_APL1_10.pdb #10/A THR 143 OG1    0.145    2.355
    A11_APL1_10.pdb #10/B LYS 10 N    A11_APL1_10.pdb #10/A TRP 147 HH2    0.139    2.486
    A11_APL1_10.pdb #10/B LYS 10 NZ   A11_APL1_10.pdb #10/A ASP 77 CG      0.131    3.194
    A11_APL1_10.pdb #10/B LYS 10 O    A11_APL1_10.pdb #10/A LYS 146 NZ     0.128    2.577
    A11_APL1_10.pdb #10/B VAL 3 H     A11_APL1_10.pdb #10/A TYR 99 OH      0.125    1.975
    A11_APL1_10.pdb #10/B LYS 10 OXT  A11_APL1_10.pdb #10/A THR 80 HG1     0.107    1.973
    A11_APL1_10.pdb #10/B VAL 2 CG2   A11_APL1_10.pdb #10/A ASN 66 1HB     0.105    2.595
    A11_APL1_10.pdb #10/B LYS 10 CG   A11_APL1_10.pdb #10/A TRP 147 CH2    0.104    3.296
    A11_APL1_10.pdb #10/B VAL 3 H     A11_APL1_10.pdb #10/A TYR 99 CZ      0.102    2.598
    A11_APL1_10.pdb #10/B VAL 2 2HG2  A11_APL1_10.pdb #10/A GLU 63 OE1     0.098    2.382
    A11_APL1_10.pdb #10/B SER 1 C     A11_APL1_10.pdb #10/A TYR 7 OH       0.088    3.112
    A11_APL1_10.pdb #10/B SER 1 HA    A11_APL1_10.pdb #10/A GLU 63 OE1     0.084    2.396
    A11_APL1_10.pdb #10/B LYS 10 O    A11_APL1_10.pdb #10/A LYS 146 3HZ    0.076    2.004
    A11_APL1_10.pdb #10/B VAL 2 CG1   A11_APL1_10.pdb #10/A TYR 9 HH       0.069    2.631
    A11_APL1_10.pdb #10/B LYS 10 CD   A11_APL1_10.pdb #10/A THR 143 HG1    0.065    2.635
    A11_APL1_10.pdb #10/B VAL 2 HA    A11_APL1_10.pdb #10/A TYR 99 OH      0.031    2.469
    A11_APL1_10.pdb #10/B VAL 2 CG2   A11_APL1_10.pdb #10/A ASN 66 CB      0.025    3.375
    A11_APL1_10.pdb #10/B SER 1 N     A11_APL1_10.pdb #10/A TYR 7 OH       0.021    2.704
    A11_APL1_10.pdb #10/B LYS 10 1HD  A11_APL1_10.pdb #10/A THR 143 HG1    0.005    1.995
    A11_APL1_10.pdb #10/B LYS 10 2HD  A11_APL1_10.pdb #10/A THR 143 CG2    -0.006    2.706
    A11_APL1_10.pdb #10/B SER 1 CA    A11_APL1_10.pdb #10/A TYR 7 OH       -0.008    3.208
    A11_APL1_10.pdb #10/B GLY 9 C     A11_APL1_10.pdb #10/A TRP 147 HH2    -0.009    2.709
    A11_APL1_10.pdb #10/B VAL 2 CG1   A11_APL1_10.pdb #10/A TYR 9 OH       -0.010    3.210
    A11_APL1_10.pdb #10/B VAL 2 2HG1  A11_APL1_10.pdb #10/A TYR 9 HH       -0.013    2.013
    A11_APL1_10.pdb #10/B VAL 2 3HG1  A11_APL1_10.pdb #10/A GLU 63 OE1     -0.020    2.500
    A11_APL1_10.pdb #10/B LYS 10 1HE  A11_APL1_10.pdb #10/A ASP 77 2HB     -0.021    2.021
    A11_APL1_10.pdb #10/B LYS 10 3HZ  A11_APL1_10.pdb #10/A ASP 77 CG      -0.027    2.727
    A11_APL1_10.pdb #10/B VAL 2 CA    A11_APL1_10.pdb #10/A TYR 99 OH      -0.028    3.228
    A11_APL1_10.pdb #10/B VAL 2 CG1   A11_APL1_10.pdb #10/A TYR 7 CE2      -0.036    3.436
    A11_APL1_10.pdb #10/B LYS 10 C    A11_APL1_10.pdb #10/A THR 80 1HG2    -0.043    2.743
    A11_APL1_10.pdb #10/B VAL 2 HB    A11_APL1_10.pdb #10/A TYR 9 OH       -0.047    2.547
    A11_APL1_10.pdb #10/B SER 1 N     A11_APL1_10.pdb #10/A TYR 171 OH     -0.048    2.773
    A11_APL1_10.pdb #10/B LYS 10 1HG  A11_APL1_10.pdb #10/A TRP 147 CH2    -0.056    2.756
    A11_APL1_10.pdb #10/B VAL 3 HB    A11_APL1_10.pdb #10/A TYR 99 CE1     -0.061    2.761
    A11_APL1_10.pdb #10/B LYS 10 N    A11_APL1_10.pdb #10/A ASP 77 OD1     -0.067    2.772
    A11_APL1_10.pdb #10/B LYS 10 H    A11_APL1_10.pdb #10/A ASP 77 CG      -0.082    2.782
    A11_APL1_10.pdb #10/B VAL 2 H     A11_APL1_10.pdb #10/A GLU 63 CD      -0.093    2.793
    A11_APL1_10.pdb #10/B LYS 10 CE   A11_APL1_10.pdb #10/A ASP 77 2HB     -0.094    2.794
    A11_APL1_10.pdb #10/B SER 1 CB    A11_APL1_10.pdb #10/A TRP 167 CD1    -0.095    3.495
    A11_APL1_10.pdb #10/B VAL 3 HA    A11_APL1_10.pdb #10/A TYR 159 CE1    -0.098    2.798
    A11_APL1_10.pdb #10/B LYS 10 O    A11_APL1_10.pdb #10/A THR 80 CG2     -0.103    3.283
    A11_APL1_10.pdb #10/B SER 1 2HB   A11_APL1_10.pdb #10/A TRP 167 CD1    -0.106    2.806
    A11_APL1_10.pdb #10/B SER 1 HA    A11_APL1_10.pdb #10/A GLU 63 OE2     -0.109    2.589
    A11_APL1_10.pdb #10/B LYS 10 1HE  A11_APL1_10.pdb #10/A ASP 77 CB      -0.110    2.810
    A11_APL1_10.pdb #10/B VAL 3 3HG2  A11_APL1_10.pdb #10/A TYR 159 CD2    -0.111    2.811
    A11_APL1_10.pdb #10/B VAL 3 3HG2  A11_APL1_10.pdb #10/A TYR 159 CG     -0.112    2.812
    A11_APL1_10.pdb #10/B VAL 3 2HG1  A11_APL1_10.pdb #10/A TYR 99 CZ      -0.115    2.815
    A11_APL1_10.pdb #10/B VAL 2 CB    A11_APL1_10.pdb #10/A TYR 9 OH       -0.118    3.318
    A11_APL1_10.pdb #10/B LYS 10 CD   A11_APL1_10.pdb #10/A THR 143 CG2    -0.121    3.521
    A11_APL1_10.pdb #10/B GLY 9 CA    A11_APL1_10.pdb #10/A THR 73 3HG2    -0.127    2.827
    A11_APL1_10.pdb #10/B VAL 2 2HG1  A11_APL1_10.pdb #10/A TYR 7 CD2      -0.130    2.830
    A11_APL1_10.pdb #10/B LYS 10 CE   A11_APL1_10.pdb #10/A ASP 77 CG      -0.132    3.532
    A11_APL1_10.pdb #10/B VAL 3 HA    A11_APL1_10.pdb #10/A TYR 159 CD1    -0.138    2.838
    A11_APL1_10.pdb #10/B SER 1 HG    A11_APL1_10.pdb #10/A GLU 63 CD      -0.147    2.847
    A11_APL1_10.pdb #10/B LYS 10 2HE  A11_APL1_10.pdb #10/A LEU 81 1HD1    -0.154    2.154
    A11_APL1_10.pdb #10/B SER 1 O     A11_APL1_10.pdb #10/A TYR 159 HE1    -0.156    2.636
    A11_APL1_10.pdb #10/B VAL 3 CG1   A11_APL1_10.pdb #10/A TYR 99 CZ      -0.158    3.558
    A11_APL1_10.pdb #10/B VAL 2 1HG2  A11_APL1_10.pdb #10/A ASN 66 1HB     -0.161    2.161
    A11_APL1_10.pdb #10/B LYS 10 2HD  A11_APL1_10.pdb #10/A THR 143 1HG2   -0.164    2.164
    A11_APL1_10.pdb #10/B LYS 10 NZ   A11_APL1_10.pdb #10/A ASP 77 OD2     -0.170    2.875
    A11_APL1_10.pdb #10/B VAL 2 CB    A11_APL1_10.pdb #10/A TYR 99 OH      -0.173    3.373
    A11_APL1_10.pdb #10/B LYS 10 1HE  A11_APL1_10.pdb #10/A ASP 77 CG      -0.174    2.874
    A11_APL1_10.pdb #10/B GLY 7 CA    A11_APL1_10.pdb #10/A GLN 155 OE1    -0.175    3.355
    A11_APL1_10.pdb #10/B VAL 2 N     A11_APL1_10.pdb #10/A GLU 63 OE1     -0.182    2.887
    A11_APL1_10.pdb #10/B VAL 2 CG2   A11_APL1_10.pdb #10/A GLU 63 OE1     -0.186    3.366
    A11_APL1_10.pdb #10/B SER 1 CA    A11_APL1_10.pdb #10/A GLU 63 OE1     -0.186    3.366
    A11_APL1_10.pdb #10/B LYS 10 1HG  A11_APL1_10.pdb #10/A THR 143 3HG2   -0.189    2.189
    A11_APL1_10.pdb #10/B LYS 10 N    A11_APL1_10.pdb #10/A TRP 147 CH2    -0.190    3.515
    A11_APL1_10.pdb #10/B SER 1 CA    A11_APL1_10.pdb #10/A GLU 63 CD      -0.191    3.591
    A11_APL1_10.pdb #10/B VAL 3 H     A11_APL1_10.pdb #10/A TYR 99 CE1     -0.196    2.896
    A11_APL1_10.pdb #10/B SER 1 1H    A11_APL1_10.pdb #10/A TYR 171 OH     -0.196    2.296
    A11_APL1_10.pdb #10/B SER 1 3H    A11_APL1_10.pdb #10/A TYR 7 OH       -0.201    2.301
    A11_APL1_10.pdb #10/B SER 1 2H    A11_APL1_10.pdb #10/A TYR 171 OH     -0.201    2.301
    A11_APL1_10.pdb #10/B LYS 10 2HG  A11_APL1_10.pdb #10/A TRP 147 CH2    -0.204    2.904
    A11_APL1_10.pdb #10/B VAL 2 1HG2  A11_APL1_10.pdb #10/A ASN 66 CB      -0.207    2.907
    A11_APL1_10.pdb #10/B VAL 8 O     A11_APL1_10.pdb #10/A TRP 147 HH2    -0.209    2.689
    A11_APL1_10.pdb #10/B LYS 10 3HZ  A11_APL1_10.pdb #10/A ASP 77 OD2     -0.214    2.294
    A11_APL1_10.pdb #10/B LYS 10 CE   A11_APL1_10.pdb #10/A ASP 77 CB      -0.217    3.617
    A11_APL1_10.pdb #10/B SER 1 O     A11_APL1_10.pdb #10/A TYR 159 OH     -0.219    2.799
    A11_APL1_10.pdb #10/B GLY 9 1HA   A11_APL1_10.pdb #10/A THR 73 3HG2    -0.220    2.220
    A11_APL1_10.pdb #10/B VAL 2 HA    A11_APL1_10.pdb #10/A TYR 7 CE1      -0.225    2.925
    A11_APL1_10.pdb #10/B VAL 3 N     A11_APL1_10.pdb #10/A TYR 99 CZ      -0.228    3.553
    A11_APL1_10.pdb #10/B LYS 10 2HD  A11_APL1_10.pdb #10/A THR 143 OG1    -0.230    2.730
    A11_APL1_10.pdb #10/B LYS 10 1HG  A11_APL1_10.pdb #10/A TRP 147 CZ3    -0.232    2.932
    A11_APL1_10.pdb #10/B SER 1 1H    A11_APL1_10.pdb #10/A TYR 171 CZ     -0.233    2.933
    A11_APL1_10.pdb #10/B SER 1 C     A11_APL1_10.pdb #10/A TYR 7 CZ       -0.233    3.633
    A11_APL1_10.pdb #10/B VAL 3 CA    A11_APL1_10.pdb #10/A TYR 159 CE1    -0.235    3.635
    A11_APL1_10.pdb #10/B VAL 3 H     A11_APL1_10.pdb #10/A TYR 99 HH      -0.237    2.237
    A11_APL1_10.pdb #10/B LYS 10 C    A11_APL1_10.pdb #10/A THR 80 OG1     -0.238    3.438
    A11_APL1_10.pdb #10/B SER 1 C     A11_APL1_10.pdb #10/A TYR 7 CE1      -0.239    3.639
    A11_APL1_10.pdb #10/B LYS 10 1HB  A11_APL1_10.pdb #10/A ASP 77 OD1     -0.240    2.720
    A11_APL1_10.pdb #10/B SER 1 CB    A11_APL1_10.pdb #10/A GLU 63 OE2     -0.244    3.424
    A11_APL1_10.pdb #10/B LYS 10 O    A11_APL1_10.pdb #10/A LYS 146 2HZ    -0.245    2.325
    A11_APL1_10.pdb #10/B VAL 3 N     A11_APL1_10.pdb #10/A TYR 99 OH      -0.248    2.973
    A11_APL1_10.pdb #10/B LYS 10 NZ   A11_APL1_10.pdb #10/A ASP 77 CB      -0.249    3.574
    A11_APL1_10.pdb #10/B VAL 3 2HG1  A11_APL1_10.pdb #10/A TYR 99 OH      -0.251    2.751
    A11_APL1_10.pdb #10/B SER 1 O     A11_APL1_10.pdb #10/A TYR 159 CE1    -0.254    3.434
    A11_APL1_10.pdb #10/B VAL 2 HB    A11_APL1_10.pdb #10/A TYR 99 OH      -0.254    2.754
    A11_APL1_10.pdb #10/B SER 1 C     A11_APL1_10.pdb #10/A TYR 159 HH     -0.260    2.960
    A11_APL1_10.pdb #10/B VAL 2 N     A11_APL1_10.pdb #10/A TYR 7 CZ       -0.262    3.587
    A11_APL1_10.pdb #10/B LYS 10 CA   A11_APL1_10.pdb #10/A TRP 147 HH2    -0.263    2.963
    A11_APL1_10.pdb #10/B LYS 10 2HE  A11_APL1_10.pdb #10/A LEU 81 1HD2    -0.267    2.267
    A11_APL1_10.pdb #10/B VAL 2 CG1   A11_APL1_10.pdb #10/A GLU 63 OE1     -0.268    3.448
    A11_APL1_10.pdb #10/B SER 1 N     A11_APL1_10.pdb #10/A TYR 171 CZ     -0.271    3.596
    A11_APL1_10.pdb #10/B LYS 10 C    A11_APL1_10.pdb #10/A THR 80 CG2     -0.282    3.682
    A11_APL1_10.pdb #10/B VAL 2 CG1   A11_APL1_10.pdb #10/A MET 45 CE      -0.286    3.686
    A11_APL1_10.pdb #10/B VAL 3 CB    A11_APL1_10.pdb #10/A TYR 99 CE1     -0.287    3.687
    A11_APL1_10.pdb #10/B SER 1 OG    A11_APL1_10.pdb #10/A GLU 63 OE2     -0.287    2.867
    A11_APL1_10.pdb #10/B VAL 2 2HG1  A11_APL1_10.pdb #10/A TYR 9 OH       -0.290    2.790
    A11_APL1_10.pdb #10/B LYS 10 CE   A11_APL1_10.pdb #10/A LEU 81 1HD2    -0.292    2.992
    A11_APL1_10.pdb #10/B LYS 10 1HZ  A11_APL1_10.pdb #10/A ASP 77 CG      -0.293    2.993
    A11_APL1_10.pdb #10/B SER 1 N     A11_APL1_10.pdb #10/A TYR 171 CE2    -0.293    3.618
    A11_APL1_10.pdb #10/B SER 1 CA    A11_APL1_10.pdb #10/A GLU 63 OE2     -0.296    3.476
    A11_APL1_10.pdb #10/B VAL 3 CG1   A11_APL1_10.pdb #10/A TYR 99 CE2     -0.300    3.700
    A11_APL1_10.pdb #10/B VAL 8 O     A11_APL1_10.pdb #10/A TRP 147 CZ3    -0.305    3.485
    A11_APL1_10.pdb #10/B LYS 10 CG   A11_APL1_10.pdb #10/A TRP 147 HH2    -0.308    3.008
    A11_APL1_10.pdb #10/B SER 1 CB    A11_APL1_10.pdb #10/A TRP 167 CG     -0.317    3.717
    A11_APL1_10.pdb #10/B VAL 3 N     A11_APL1_10.pdb #10/A TYR 99 CE1     -0.318    3.643
    A11_APL1_10.pdb #10/B GLY 9 C     A11_APL1_10.pdb #10/A TRP 147 CH2    -0.318    3.718
    A11_APL1_10.pdb #10/B LYS 10 CB   A11_APL1_10.pdb #10/A ASP 77 OD1     -0.319    3.499
    A11_APL1_10.pdb #10/B LYS 10 CA   A11_APL1_10.pdb #10/A TRP 147 CH2    -0.319    3.719
    A11_APL1_10.pdb #10/B VAL 3 CG2   A11_APL1_10.pdb #10/A TYR 159 CD2    -0.324    3.724
    A11_APL1_10.pdb #10/B LYS 10 CG   A11_APL1_10.pdb #10/A THR 143 3HG2   -0.331    3.031
    A11_APL1_10.pdb #10/B LYS 10 CG   A11_APL1_10.pdb #10/A THR 143 HG1    -0.331    3.031
    A11_APL1_10.pdb #10/B LYS 10 OXT  A11_APL1_10.pdb #10/A THR 80 OG1     -0.332    2.912
    A11_APL1_10.pdb #10/B VAL 3 CA    A11_APL1_10.pdb #10/A TYR 159 CZ     -0.333    3.733
    A11_APL1_10.pdb #10/B GLY 9 1HA   A11_APL1_10.pdb #10/A THR 73 CG2     -0.334    3.034
    A11_APL1_10.pdb #10/B VAL 3 2HG1  A11_APL1_10.pdb #10/A TYR 99 CE2     -0.335    3.035
    A11_APL1_10.pdb #10/B SER 1 1H    A11_APL1_10.pdb #10/A TYR 171 CE2    -0.336    3.036
    A11_APL1_10.pdb #10/B SER 1 N     A11_APL1_10.pdb #10/A TYR 171 HE2    -0.339    2.964
    A11_APL1_10.pdb #10/B LYS 10 C    A11_APL1_10.pdb #10/A LYS 146 3HZ    -0.343    3.043
    A11_APL1_10.pdb #10/B VAL 2 1HG1  A11_APL1_10.pdb #10/A MET 45 CE      -0.344    3.044
    A11_APL1_10.pdb #10/B VAL 3 CB    A11_APL1_10.pdb #10/A TYR 99 CZ      -0.344    3.744
    A11_APL1_10.pdb #10/B VAL 3 N     A11_APL1_10.pdb #10/A TYR 159 CZ     -0.344    3.669
    A11_APL1_10.pdb #10/B VAL 2 2HG1  A11_APL1_10.pdb #10/A TYR 7 CZ       -0.352    3.052
    A11_APL1_10.pdb #10/B VAL 2 CG1   A11_APL1_10.pdb #10/A TYR 7 CZ       -0.353    3.753
    A11_APL1_10.pdb #10/B VAL 2 CG1   A11_APL1_10.pdb #10/A MET 45 3HE     -0.354    3.054
    A11_APL1_10.pdb #10/B LYS 10 HA   A11_APL1_10.pdb #10/A TRP 147 CZ3    -0.368    3.068
    A11_APL1_10.pdb #10/B VAL 2 HB    A11_APL1_10.pdb #10/A TYR 99 HH      -0.377    2.377
    A11_APL1_10.pdb #10/B LYS 10 2HE  A11_APL1_10.pdb #10/A LEU 81 CD1     -0.378    3.078
    A11_APL1_10.pdb #10/B VAL 3 2HG1  A11_APL1_10.pdb #10/A TYR 99 HH      -0.382    2.382
    A11_APL1_10.pdb #10/B SER 1 O     A11_APL1_10.pdb #10/A TYR 159 CZ     -0.382    3.562
    A11_APL1_10.pdb #10/B VAL 2 CA    A11_APL1_10.pdb #10/A TYR 7 CE1      -0.384    3.784
    A11_APL1_10.pdb #10/B LYS 10 CG   A11_APL1_10.pdb #10/A TRP 147 CZ3    -0.385    3.785
    A11_APL1_10.pdb #10/B LYS 10 NZ   A11_APL1_10.pdb #10/A ASP 77 2HB     -0.385    3.010
    A11_APL1_10.pdb #10/B VAL 2 3HG2  A11_APL1_10.pdb #10/A ASN 66 CB      -0.385    3.085
    A11_APL1_10.pdb #10/B LYS 10 1HZ  A11_APL1_10.pdb #10/A ASP 77 CB      -0.385    3.085
    A11_APL1_10.pdb #10/B VAL 2 CA    A11_APL1_10.pdb #10/A TYR 7 CZ       -0.387    3.787
    A11_APL1_10.pdb #10/B VAL 2 C     A11_APL1_10.pdb #10/A TYR 159 CE1    -0.389    3.789
    A11_APL1_10.pdb #10/B SER 1 2H    A11_APL1_10.pdb #10/A TYR 7 OH       -0.395    2.495
    A11_APL1_10.pdb #10/B SER 1 2HB   A11_APL1_10.pdb #10/A TRP 167 CG     -0.399    3.099
    

  
161 contacts  

> H-Bonds /B:1

Unknown command: H-Bonds /B:1  

> hbonds /B:1

140 hydrogen bonds found  

> hbonds #1/B:1

10 hydrogen bonds found  

> hbonds #2/B:1

15 hydrogen bonds found  

> hbonds #3/B:1

15 hydrogen bonds found  

> hbonds #4/B:1

15 hydrogen bonds found  

> hbonds #5/B:1

15 hydrogen bonds found  

> hbonds #6/B:1

15 hydrogen bonds found  

> hbonds #7/B:1

15 hydrogen bonds found  

> hbonds #8/B:1

19 hydrogen bonds found  

> hbonds #9/B:1

6 hydrogen bonds found  

> hbonds #10/B:1

15 hydrogen bonds found  

> mlp /B

Map values for surface ""A11_APL1_4.pdb_B SES surface"": minimum -20.66, mean
-3.55, maximum 16.65  
Map values for surface ""A11_APL1_8.pdb_B SES surface"": minimum -20.82, mean
-3.784, maximum 16.1  
Map values for surface ""A11_APL1_1.pdb_B SES surface"": minimum -19.11, mean
-3.834, maximum 16.78  
Map values for surface ""A11_APL1_5.pdb_B SES surface"": minimum -20.03, mean
-3.684, maximum 16.31  
Map values for surface ""A11_APL1_7.pdb_B SES surface"": minimum -21.43, mean
-3.668, maximum 17.69  
Map values for surface ""A11_APL1_2.pdb_B SES surface"": minimum -20.1, mean
-3.764, maximum 17.27  
Map values for surface ""A11_APL1_6.pdb_B SES surface"": minimum -19.44, mean
-3.73, maximum 17.07  
Map values for surface ""A11_APL1_9.pdb_B SES surface"": minimum -20.01, mean
-3.594, maximum 16.81  
Map values for surface ""A11_APL1_10.pdb_B SES surface"": minimum -19.46, mean
-3.809, maximum 17.35  
Map values for surface ""A11_APL1_3.pdb_B SES surface"": minimum -19.85, mean
-3.667, maximum 15.95  

> coloumbic /B

Unknown command: coloumbic /B  

> coluombic /B

Unknown command: coluombic /B  

> coulombic /B

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for A11_APL1_1.pdb_B SES surface #1.2: minimum, -9.76, mean
1.46, maximum 10.26  
Coulombic values for A11_APL1_2.pdb_B SES surface #2.2: minimum, -9.82, mean
1.62, maximum 10.68  
Coulombic values for A11_APL1_3.pdb_B SES surface #3.2: minimum, -9.46, mean
1.57, maximum 10.61  
Coulombic values for A11_APL1_4.pdb_B SES surface #4.2: minimum, -9.34, mean
1.76, maximum 10.85  
Coulombic values for A11_APL1_5.pdb_B SES surface #5.2: minimum, -9.71, mean
1.62, maximum 10.43  
Coulombic values for A11_APL1_6.pdb_B SES surface #6.2: minimum, -10.44, mean
1.61, maximum 10.81  
Coulombic values for A11_APL1_7.pdb_B SES surface #7.2: minimum, -10.04, mean
1.69, maximum 10.74  
Coulombic values for A11_APL1_8.pdb_B SES surface #8.2: minimum, -9.26, mean
1.65, maximum 11.26  
Coulombic values for A11_APL1_9.pdb_B SES surface #9.2: minimum, -9.84, mean
1.65, maximum 9.50  
Coulombic values for A11_APL1_10.pdb_B SES surface #10.2: minimum, -9.73, mean
1.61, maximum 10.55  

> show #11 models

> show #!9 models

> show #!8 models

> show #!7 models

> show #!6 models

> show #!5 models

> show #!4 models

> show #!3 models

> show #!2 models

> show #!1 models

> rmsd #1/B to #2/B

RMSD between 105 atom pairs is 1.311  

> rmsd #1/B to #3/B

RMSD between 105 atom pairs is 1.839  

> rmsd #1/B to #4/B

RMSD between 105 atom pairs is 2.146  

> rmsd #1/B to #5/B

RMSD between 105 atom pairs is 1.651  

> rmsd #1/B to #6/B

RMSD between 105 atom pairs is 1.535  

> rmsd #1/B to #7/B

RMSD between 105 atom pairs is 1.994  

> rmsd #1/B to #8/B

RMSD between 105 atom pairs is 1.827  

> rmsd #1/B to #9/B

RMSD between 105 atom pairs is 2.454  

> rmsd #1/B to #10/B

RMSD between 105 atom pairs is 1.855  

> rmsd #2/B to #3/B

RMSD between 105 atom pairs is 1.566  

> rmsd #2/B to #4/B

RMSD between 105 atom pairs is 1.668  

> rmsd #2/B to #5/B

RMSD between 105 atom pairs is 1.303  

> rmsd #2/B to #6/B

RMSD between 105 atom pairs is 2.007  

> rmsd #2/B to #7/B

RMSD between 105 atom pairs is 1.742  

> rmsd #2/B to #8/B

RMSD between 105 atom pairs is 1.876  

> rmsd #2/B to #9/B

RMSD between 105 atom pairs is 2.436  

> rmsd #2/B to #10/B

RMSD between 105 atom pairs is 1.788  

> rmsd #3/B to #4/B

RMSD between 105 atom pairs is 1.946  

> rmsd #3/B to #5/B

RMSD between 105 atom pairs is 1.102  

> rmsd #3/B to #6/B

RMSD between 105 atom pairs is 1.649  

> rmsd #3/B to #7/B

RMSD between 105 atom pairs is 1.829  

> rmsd #3/B to #8/B

RMSD between 105 atom pairs is 1.800  

> rmsd #3/B to #9/B

RMSD between 105 atom pairs is 2.396  

> rmsd #3/B to #10/B

RMSD between 105 atom pairs is 2.211  

> rmsd #4/B to #5/B

RMSD between 105 atom pairs is 1.718  

> rmsd #4/B to #6/B

RMSD between 105 atom pairs is 2.160  

> rmsd #4/B to #7/B

RMSD between 105 atom pairs is 1.139  

> rmsd #4/B to #8/B

RMSD between 105 atom pairs is 1.848  

> rmsd #4/B to #9/B

RMSD between 105 atom pairs is 1.880  

> rmsd #4/B to #10/B

RMSD between 105 atom pairs is 2.311  

> rmsd #5/B to #6/B

RMSD between 105 atom pairs is 1.888  

> rmsd #5/B to #7/B

RMSD between 105 atom pairs is 1.556  

> rmsd #5/B to #8/B

RMSD between 105 atom pairs is 1.631  

> rmsd #5/B to #9/B

RMSD between 105 atom pairs is 2.266  

> rmsd #5/B to #10/B

RMSD between 105 atom pairs is 1.959  

> rmsd #6/B to #7/B

RMSD between 105 atom pairs is 2.001  

> rmsd #6/B to #7/B

RMSD between 105 atom pairs is 2.001  

> rmsd #6/B to #8/B

RMSD between 105 atom pairs is 1.746  

> rmsd #6/B to #9/B

RMSD between 105 atom pairs is 2.176  

> rmsd #6/B to #10/B

RMSD between 105 atom pairs is 2.215  

> rmsd #7/B to #8/B

RMSD between 105 atom pairs is 1.865  

> rmsd #7/B to #9/B

RMSD between 105 atom pairs is 1.668  

> rmsd #7/B to #10/B

RMSD between 105 atom pairs is 2.062  

> rmsd #8/B to #9/B

RMSD between 105 atom pairs is 2.070  

> rmsd #8/B to #10/B

RMSD between 105 atom pairs is 2.310  

> rmsd #9/B to #10/B

RMSD between 105 atom pairs is 2.724  

> select /A

43500 atoms, 44120 bonds, 2760 residues, 10 models selected  

> hide sel atoms

> select clear

> hide #!1 models

> show #!1 models

> hide #!2 models

> hide #!3 models

> hide #!4 models

> hide #!5 models

> hide #!6 models

> hide #!7 models

> hide #!8 models

> hide #!9 models

> hide #!10 models

> save ""/Users/amandahuff/OneDrive - Johns
> Hopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11 NEW/7ow4_APL1/APL1
> electrostatic charge of anchor mod.png"" width 663 height 635 supersample 3

> close all

> open ""/Users/amandahuff/Library/CloudStorage/OneDrive-
> JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
> NEW/7ow4_parental/A11Parental_1.pdb""

Summary of feedback from opening
/Users/amandahuff/Library/CloudStorage/OneDrive-
JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
NEW/7ow4_parental/A11Parental_1.pdb  
---  
warnings | Ignored bad PDB record found on line 4462  
# All scores below are weighted scores, not raw scores.  
  
Ignored bad PDB record found on line 4463  
#BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P4_0016.pdb  
  
Ignored bad PDB record found on line 4464  
label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb
hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih
dslf_ca_dih rama omega fa_dun p_aa_pp ref total  
  
Ignored bad PDB record found on line 4465  
weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56
0.32 1 NA  
  
Ignored bad PDB record found on line 4466  
pose -1056.43 100.034 532.197 2.12118 0.768788 -23.2915 -55.3316 -125.482
-30.4497 -27.5533 -7.16081 0.470131 0.567418 0.10012 -13.4304 62.2158 191.788
-26.3016 -60.28 -535.444  
  
302 messages similar to the above omitted  
  
Chain information for A11Parental_1.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> open ""/Users/amandahuff/Library/CloudStorage/OneDrive-
> JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
> NEW/7ow4_parental/A11Parental_2.pdb""

Summary of feedback from opening
/Users/amandahuff/Library/CloudStorage/OneDrive-
JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
NEW/7ow4_parental/A11Parental_2.pdb  
---  
warnings | Ignored bad PDB record found on line 4462  
# All scores below are weighted scores, not raw scores.  
  
Ignored bad PDB record found on line 4463  
#BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P3_0030.pdb  
  
Ignored bad PDB record found on line 4464  
label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb
hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih
dslf_ca_dih rama omega fa_dun p_aa_pp ref total  
  
Ignored bad PDB record found on line 4465  
weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56
0.32 1 NA  
  
Ignored bad PDB record found on line 4466  
pose -1058.61 99.6619 535.441 2.1172 0.769511 -23.5686 -55.3316 -125.482
-30.4127 -27.5263 -7.1665 0.474333 0.575353 0.100124 -12.3879 62.5159 190.52
-24.9437 -60.28 -533.536  
  
302 messages similar to the above omitted  
  
Chain information for A11Parental_2.pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> open ""/Users/amandahuff/Library/CloudStorage/OneDrive-
> JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
> NEW/7ow4_parental/A11Parental_3.pdb""

Summary of feedback from opening
/Users/amandahuff/Library/CloudStorage/OneDrive-
JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
NEW/7ow4_parental/A11Parental_3.pdb  
---  
warnings | Ignored bad PDB record found on line 4462  
# All scores below are weighted scores, not raw scores.  
  
Ignored bad PDB record found on line 4463  
#BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P3_0002.pdb  
  
Ignored bad PDB record found on line 4464  
label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb
hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih
dslf_ca_dih rama omega fa_dun p_aa_pp ref total  
  
Ignored bad PDB record found on line 4465  
weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56
0.32 1 NA  
  
Ignored bad PDB record found on line 4466  
pose -1062.46 103.437 536.258 2.13772 0.772106 -23.7008 -55.3316 -125.482
-28.3903 -26.5414 -7.16226 0.484369 0.554829 0.100115 -13.6575 62.2546 190.477
-26.0162 -60.28 -532.547  
  
302 messages similar to the above omitted  
  
Chain information for A11Parental_3.pdb #3  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> open ""/Users/amandahuff/Library/CloudStorage/OneDrive-
> JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
> NEW/7ow4_parental/A11Parental_4.pdb""

Summary of feedback from opening
/Users/amandahuff/Library/CloudStorage/OneDrive-
JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
NEW/7ow4_parental/A11Parental_4.pdb  
---  
warnings | Ignored bad PDB record found on line 4462  
# All scores below are weighted scores, not raw scores.  
  
Ignored bad PDB record found on line 4463  
#BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P4_0045.pdb  
  
Ignored bad PDB record found on line 4464  
label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb
hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih
dslf_ca_dih rama omega fa_dun p_aa_pp ref total  
  
Ignored bad PDB record found on line 4465  
weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56
0.32 1 NA  
  
Ignored bad PDB record found on line 4466  
pose -1055.06 99.8695 531.158 2.1606 0.769757 -23.2958 -55.3316 -125.482
-30.4361 -25.6974 -7.17506 0.479723 0.555341 0.100118 -13.7748 62.2325 192.781
-26.0363 -60.28 -532.463  
  
302 messages similar to the above omitted  
  
Chain information for A11Parental_4.pdb #4  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> open ""/Users/amandahuff/Library/CloudStorage/OneDrive-
> JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
> NEW/7ow4_parental/A11Parental_5.pdb""

Summary of feedback from opening
/Users/amandahuff/Library/CloudStorage/OneDrive-
JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
NEW/7ow4_parental/A11Parental_5.pdb  
---  
warnings | Ignored bad PDB record found on line 4462  
# All scores below are weighted scores, not raw scores.  
  
Ignored bad PDB record found on line 4463  
#BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P3_0021.pdb  
  
Ignored bad PDB record found on line 4464  
label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb
hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih
dslf_ca_dih rama omega fa_dun p_aa_pp ref total  
  
Ignored bad PDB record found on line 4465  
weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56
0.32 1 NA  
  
Ignored bad PDB record found on line 4466  
pose -1055.18 100.752 534.05 2.1259 0.769161 -23.5847 -55.3316 -125.482
-29.5717 -27.1518 -7.25526 0.450411 0.601285 0.100124 -13.7343 62.1444 190.125
-25.8772 -60.28 -532.331  
  
302 messages similar to the above omitted  
  
Chain information for A11Parental_5.pdb #5  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> open ""/Users/amandahuff/Library/CloudStorage/OneDrive-
> JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
> NEW/7ow4_parental/A11Parental_6.pdb""

Summary of feedback from opening
/Users/amandahuff/Library/CloudStorage/OneDrive-
JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
NEW/7ow4_parental/A11Parental_6.pdb  
---  
warnings | Ignored bad PDB record found on line 4462  
# All scores below are weighted scores, not raw scores.  
  
Ignored bad PDB record found on line 4463  
#BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P3_0012.pdb  
  
Ignored bad PDB record found on line 4464  
label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb
hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih
dslf_ca_dih rama omega fa_dun p_aa_pp ref total  
  
Ignored bad PDB record found on line 4465  
weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56
0.32 1 NA  
  
Ignored bad PDB record found on line 4466  
pose -1061.79 102.409 536.863 2.11486 0.769798 -23.1526 -55.3316 -125.482
-35.2917 -24.2608 -7.17361 0.470738 0.568717 0.100117 -12.1372 62.6794 192.655
-25.8527 -60.28 -532.125  
  
302 messages similar to the above omitted  
  
Chain information for A11Parental_6.pdb #6  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> open ""/Users/amandahuff/Library/CloudStorage/OneDrive-
> JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
> NEW/7ow4_parental/A11Parental_7.pdb""

Summary of feedback from opening
/Users/amandahuff/Library/CloudStorage/OneDrive-
JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
NEW/7ow4_parental/A11Parental_7.pdb  
---  
warnings | Ignored bad PDB record found on line 4462  
# All scores below are weighted scores, not raw scores.  
  
Ignored bad PDB record found on line 4463  
#BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P3_0026.pdb  
  
Ignored bad PDB record found on line 4464  
label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb
hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih
dslf_ca_dih rama omega fa_dun p_aa_pp ref total  
  
Ignored bad PDB record found on line 4465  
weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56
0.32 1 NA  
  
Ignored bad PDB record found on line 4466  
pose -1062.63 104.992 536.085 2.12978 0.766762 -23.5496 -55.3316 -125.482
-32.9465 -25.2512 -7.17277 0.474606 0.560914 0.100113 -12.3153 62.4889 190.974
-25.4827 -60.28 -531.866  
  
302 messages similar to the above omitted  
  
Chain information for A11Parental_7.pdb #7  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> open ""/Users/amandahuff/Library/CloudStorage/OneDrive-
> JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
> NEW/7ow4_parental/A11Parental_8.pdb""

Summary of feedback from opening
/Users/amandahuff/Library/CloudStorage/OneDrive-
JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
NEW/7ow4_parental/A11Parental_8.pdb  
---  
warnings | Ignored bad PDB record found on line 4462  
# All scores below are weighted scores, not raw scores.  
  
Ignored bad PDB record found on line 4463  
#BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P4_0001.pdb  
  
Ignored bad PDB record found on line 4464  
label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb
hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih
dslf_ca_dih rama omega fa_dun p_aa_pp ref total  
  
Ignored bad PDB record found on line 4465  
weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56
0.32 1 NA  
  
Ignored bad PDB record found on line 4466  
pose -1064.93 101.232 539.26 2.13185 0.770792 -23.5228 -55.3316 -125.482
-33.1658 -25.3525 -7.1595 0.47766 0.563003 0.100119 -9.83864 63.2235 190.387
-24.111 -60.28 -531.027  
  
302 messages similar to the above omitted  
  
Chain information for A11Parental_8.pdb #8  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> open ""/Users/amandahuff/Library/CloudStorage/OneDrive-
> JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
> NEW/7ow4_parental/A11Parental_9.pdb""

Summary of feedback from opening
/Users/amandahuff/Library/CloudStorage/OneDrive-
JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
NEW/7ow4_parental/A11Parental_9.pdb  
---  
warnings | Ignored bad PDB record found on line 4462  
# All scores below are weighted scores, not raw scores.  
  
Ignored bad PDB record found on line 4463  
#BEGIN_POSE_ENERGIES_TABLE 65de52b14b55f_P3_0042.pdb  
  
Ignored bad PDB record found on line 4464  
label fa_atr fa_rep fa_sol fa_intra_rep pro_close fa_pair hbond_sr_bb
hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih
dslf_ca_dih rama omega fa_dun p_aa_pp ref total  
  
Ignored bad PDB record found on line 4465  
weights 0.8 0.44 0.65 0.004 1 0.49 0.585 1.17 1.17 1.1 1 1 1 1 0.2 0.5 0.56
0.32 1 NA  
  
Ignored bad PDB record found on line 4466  
pose -1066.52 103.861 539.874 2.14491 0.76745 -22.982 -55.3316 -125.482
-34.5666 -26.6943 -7.16661 0.471623 0.565113 0.100113 -9.16255 62.49 193.066
-25.1916 -60.28 -530.038  
  
302 messages similar to the above omitted  
  
Chain information for A11Parental_9.pdb #9  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> open ""/Users/amandahuff/Library/CloudStorage/OneDrive-
> JohnsHopkins/Jaffee_Lab/APL_project/KRAS_APL_models/A11
> NEW/7ow4_parental/A11Parental_10.pdb""


===== Log before crash end =====

Log:
Startup Messages  
---  
warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR
bundle with that from NMRSTAR bundle  
  
UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 Metal - 88
OpenGL renderer: Apple M1 Pro
OpenGL vendor: Apple

Python: 3.11.2
Locale: UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro18,3
      Model Number: MKGQ3LL/A
      Chip: Unknown
      Total Number of Cores: 10 (8 performance and 2 efficiency)
      Memory: 16 GB
      System Firmware Version: 10151.81.1
      OS Loader Version: 10151.81.1

Software:

    System Software Overview:

      System Version: macOS 14.3.1 (23D60)
      Kernel Version: Darwin 23.3.0
      Time since boot: 10 days, 13 hours, 58 minutes

Graphics/Displays:

    Apple M1 Pro:

      Chipset Model: Apple M1 Pro
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 16
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina XDR Display
          Resolution: 3024 x 1964 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.16
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.4.1
    Babel: 2.14.0
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 0.10.0
    certifi: 2022.12.7
    cftime: 1.6.3
    charset-normalizer: 3.3.2
    ChimeraX-AddCharge: 1.5.13
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.4.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.12.2
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.49.1
    ChimeraX-AtomicLibrary: 12.1.5
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3.2
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.10.5
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.2
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.3.2
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.5
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.7.1
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.2
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-Label: 1.1.8
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.1.6
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.1.4
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.6.1
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12.1
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.14
    ChimeraX-ModelPanel: 1.4
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.1
    ChimeraX-NRRD: 1.1
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.13.1
    ChimeraX-PDB: 2.7.3
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.2
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.11
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.2
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.12.4
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1.2
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.2.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.33.3
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.3.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.3
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.1
    contourpy: 1.2.0
    cxservices: 1.2.2
    cycler: 0.12.1
    Cython: 0.29.33
    debugpy: 1.8.0
    decorator: 5.1.1
    docutils: 0.19
    executing: 2.0.1
    filelock: 3.9.0
    fonttools: 4.47.2
    funcparserlib: 2.0.0a0
    glfw: 2.6.4
    grako: 3.16.5
    h5py: 3.10.0
    html2text: 2020.1.16
    idna: 3.6
    ihm: 0.38
    imagecodecs: 2023.9.18
    imagesize: 1.4.1
    ipykernel: 6.23.2
    ipython: 8.14.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.1.1
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.2.0
    jupyter-core: 5.7.1
    jupyterlab-widgets: 3.0.9
    kiwisolver: 1.4.5
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.4
    matplotlib: 3.7.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.6.0
    netCDF4: 1.6.2
    networkx: 3.1
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.8
    numpy: 1.25.1
    openvr: 1.23.701
    packaging: 21.3
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pexpect: 4.9.0
    pickleshare: 0.7.5
    pillow: 10.2.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 4.1.0
    prompt-toolkit: 3.0.43
    psutil: 5.9.5
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.16.1
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.2801
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.3.1
    PyQt6-Qt6: 6.3.2
    PyQt6-sip: 13.4.0
    PyQt6-WebEngine-commercial: 6.3.1
    PyQt6-WebEngine-Qt6: 6.3.2
    python-dateutil: 2.8.2
    pytz: 2023.3.post1
    pyzmq: 25.1.2
    qtconsole: 5.4.3
    QtPy: 2.4.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.11.1
    setuptools: 67.4.0
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.5
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.8
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.6
    sphinxcontrib-htmlhelp: 2.0.5
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.7
    sphinxcontrib-serializinghtml: 1.1.10
    stack-data: 0.6.3
    superqt: 0.5.0
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2023.7.18
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.4
    traitlets: 5.9.0
    typing-extensions: 4.9.0
    tzdata: 2023.4
    urllib3: 2.1.0
    wcwidth: 0.2.13
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.9

}}}
"	defect	accepted	normal		Core				Tom Goddard				all	ChimeraX
