﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
7591	Crash in movie encode (fork ffmpeg)	t.sixma@…	Eric Pettersen	"{{{
The following bug report has been submitted:
Platform:        macOS-10.16-x86_64-i386-64bit
ChimeraX Version: 1.4 (2022-06-03 23:39:42 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
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    ""name"" : ""Python"",
    ""CFBundleVersion"" : ""3.9.11""
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    ""base"" : 4600393728,
    ""size"" : 1589248,
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    ""path"" : ""\/Applications\/ChimeraX-1.4.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/PyQt6\/QtCore.abi3.so"",
    ""name"" : ""QtCore.abi3.so""
  },
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    ""arch"" : ""x86_64"",
    ""base"" : 4945420288,
    ""size"" : 5226496,
    ""uuid"" : ""97d356c9-7652-3ff7-be10-198e30670243"",
    ""path"" : ""\/Applications\/ChimeraX-1.4.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/PyQt6\/Qt6\/lib\/QtCore.framework\/Versions\/A\/QtCore"",
    ""name"" : ""QtCore""
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    ""base"" : 5015486464,
    ""size"" : 4997120,
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    ""path"" : ""\/Applications\/ChimeraX-1.4.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/PyQt6\/Qt6\/lib\/QtWidgets.framework\/Versions\/A\/QtWidgets"",
    ""name"" : ""QtWidgets""
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    ""size"" : 2818048,
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    ""path"" : ""\/Applications\/ChimeraX-1.4.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/PyQt6\/QtWidgets.abi3.so"",
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    ""size"" : 655360,
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    ""path"" : ""\/Applications\/ChimeraX-1.4.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/PyQt6\/Qt6\/plugins\/platforms\/libqcocoa.dylib"",
    ""name"" : ""libqcocoa.dylib""
  },
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    ""arch"" : ""x86_64"",
    ""base"" : 140703655886848,
    ""CFBundleShortVersionString"" : ""6.9"",
    ""CFBundleIdentifier"" : ""com.apple.CoreFoundation"",
    ""size"" : 5246976,
    ""uuid"" : ""9c8908f2-e5e0-35b7-9f41-fdf8d7476d8b"",
    ""path"" : ""\/System\/Library\/Frameworks\/CoreFoundation.framework\/Versions\/A\/CoreFoundation"",
    ""name"" : ""CoreFoundation"",
    ""CFBundleVersion"" : ""1863""
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    ""source"" : ""P"",
    ""arch"" : ""x86_64"",
    ""base"" : 140703808335872,
    ""CFBundleShortVersionString"" : ""2.1.1"",
    ""CFBundleIdentifier"" : ""com.apple.HIToolbox"",
    ""size"" : 3096576,
    ""uuid"" : ""04544f53-a387-3ac3-a85d-f8adfc0bc69e"",
    ""path"" : ""\/System\/Library\/Frameworks\/Carbon.framework\/Versions\/A\/Frameworks\/HIToolbox.framework\/Versions\/A\/HIToolbox"",
    ""name"" : ""HIToolbox""
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    ""arch"" : ""x86_64"",
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    ""CFBundleShortVersionString"" : ""6.9"",
    ""CFBundleIdentifier"" : ""com.apple.AppKit"",
    ""size"" : 15265792,
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    ""path"" : ""\/System\/Library\/Frameworks\/AppKit.framework\/Versions\/C\/AppKit"",
    ""name"" : ""AppKit"",
    ""CFBundleVersion"" : ""2113.50.132""
  },
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    ""CFBundleIdentifier"" : ""edu.ucsf.cgl.ChimeraX"",
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    ""name"" : ""ChimeraX"",
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  },
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    ""size"" : 442368,
    ""uuid"" : ""b70ce1ec-b902-3852-8268-05de00bfa8d5"",
    ""path"" : ""\/usr\/lib\/dyld"",
    ""name"" : ""dyld""
  },
  {
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    ""arch"" : ""x86_64"",
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    ""size"" : 165068800,
    ""uuid"" : ""c9795830-14cd-3b40-983d-a3143cd9cbd9"",
    ""path"" : ""\/Applications\/ChimeraX-1.4.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/PyQt6\/Qt6\/lib\/QtWebEngineCore.framework\/Versions\/A\/QtWebEngineCore"",
    ""name"" : ""QtWebEngineCore""
  },
  {
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    ""base"" : 140703655571456,
    ""size"" : 49152,
    ""uuid"" : ""bc574849-1aae-31e7-b350-916dda999d97"",
    ""path"" : ""\/usr\/lib\/system\/libsystem_pthread.dylib"",
    ""name"" : ""libsystem_pthread.dylib""
  }
],
  ""sharedCache"" : {
  ""base"" : 140703652315136,
  ""size"" : 15220686848,
  ""uuid"" : ""53b6853f-0bc3-33f5-be72-1aca3a188ff8""
},
  ""vmSummary"" : ""ReadOnly portion of Libraries: Total=1.5G resident=0K(0%) swapped_out_or_unallocated=1.5G(100%)\nWritable regions: Total=2.1G written=0K(0%) resident=0K(0%) swapped_out=0K(0%) unallocated=2.1G(100%)\n\n                                VIRTUAL   REGION \nREGION TYPE                        SIZE    COUNT (non-coalesced) \n===========                     =======  ======= \nAccelerate framework               128K        1 \nActivity Tracing                   256K        1 \nCG backing stores                 2176K        4 \nCG image                           188K       17 \nColorSync                          228K       26 \nCoreAnimation                      224K       17 \nCoreGraphics                        12K        2 \nCoreUI image data                 4404K       32 \nFoundation                          16K        1 \nKernel Alloc Once                    8K        1 \nMALLOC                             1.2G      143 \nMALLOC guard page                  192K        9 \nMALLOC_MEDIUM (reserved)         336.0M        5         reserved VM address space (unallocated)\nMach message                        16K        4 \nOpenGL GLSL                        384K        4 \nRosetta Arena                     6144K        3 \nRosetta Generic                   1436K      356 \nRosetta IndirectBranch            2048K        1 \nRosetta JIT                      128.0M        1 \nRosetta Return Stack               740K       74 \nRosetta Thread Context             740K       74 \nSTACK GUARD                         44K       11 \nStack                            158.1M       30 \nStack Guard                       56.1M       19 \nVM_ALLOCATE                      160.5M      266 \nVM_ALLOCATE (reserved)           128.1M       13         reserved VM address space (unallocated)\n__CTF                               756        1 \n__DATA                            44.2M      663 \n__DATA_CONST                      30.9M      339 \n__DATA_DIRTY                      1644K      213 \n__FONT_DATA                          4K        1 \n__GLSLBUILTINS                    5176K        1 \n__LINKEDIT                       736.2M      145 \n__OBJC_RO                         82.7M        1 \n__OBJC_RW                         3200K        2 \n__TEXT                           794.8M      664 \n__UNICODE                          592K        1 \ndyld private memory               1184K        3 \nmapped file                        5.2G     1135 \nshared memory                     3000K       23 \nunshared pmap                     12.6M        8 \n===========                     =======  ======= \nTOTAL                              9.1G     4315 \nTOTAL, minus reserved VM space     8.6G     4315 \n"",
  ""legacyInfo"" : {
  ""threadTriggered"" : {
    ""name"" : ""CrBrowserMain"",
    ""queue"" : ""com.apple.main-thread""
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},
  ""trialInfo"" : {
  ""rollouts"" : [
    {
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      ""factorPackIds"" : {
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      },
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      ""factorPackIds"" : {

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    }
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  ""experiments"" : [

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}
}
===== Log before crash start =====
UCSF ChimeraX version: 1.4 (2022-06-03)  
© 2016-2022 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open
> /Users/home/surfdrive/Documents_surfdrive/Talks_surfdrive/chains2022/movie-
> work/movies-andrea/uchl5/UCHL5_full-range.cxc

> delete all

> ~hbonds

> ~distance

> select clear

> stop

> view orient

> open 3a7s.pdb name uchl5-3a7s

uchl5-3a7s title:  
Catalytic domain of UCH37 [more info...]  
  
Chain information for uchl5-3a7s #1  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
  
Non-standard residues in uchl5-3a7s #1  
---  
CL — chloride ion  
  

> open 3rii-a.pdb name uchl5-3rii

Chain information for uchl5-3rii #2  
---  
Chain | Description  
A | No description available  
  

> open 3ris-a.pdb name uchl5-3ris

Chain information for uchl5-3ris #3  
---  
Chain | Description  
A | No description available  
  

> open 3tb3-a.pdb name uchl5-3tb3

Chain information for uchl5-3tb3 #4  
---  
Chain | Description  
A | No description available  
  

> open 3ihr.pdb name uchl5-3ihr

uchl5-3ihr title:  
Crystal structure of UCH37 [more info...]  
  
Chain information for uchl5-3ihr #5  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
  
Non-standard residues in uchl5-3ihr #5  
---  
FMT — formic acid  
NA — sodium ion  
  

> open l5-4uem.pdb name apoL5_4uem

Chain information for apoL5_4uem #6  
---  
Chain | Description  
A | No description available  
  

> open l5-4uel.pdb name activeL5_4uel

Chain information for activeL5_4uel #7  
---  
Chain | Description  
A | No description available  
  

> open l5-4uf5.pdb name inactivel5_4uf5

Chain information for inactivel5_4uf5 #8  
---  
Chain | Description  
A | No description available  
  

> open rpn13-4uem.pdb name rpn13-4uem

Chain information for rpn13-4uem #9  
---  
Chain | Description  
B | No description available  
  

> open rpn13-4uel.pdb name rpn13-ub-4uel

Chain information for rpn13-ub-4uel #10  
---  
Chain | Description  
C | No description available  
  

> open ino80-4uf5.pdb name ino80-4uf5

Chain information for ino80-4uf5 #11  
---  
Chain | Description  
B | No description available  
  

> open ub-4uel.pdb name ub-4uel

Chain information for ub-4uel #12  
---  
Chain | Description  
B | No description available  
  

> open 4UEM.cif

4UEM.cif title:  
UCH-L5 in complex with the RPN13 DEUBAD domain [more info...]  
  
Chain information for 4UEM.cif #13  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
B | proteasomal ubiquitin receptor ADRM1 | ADRM1_HUMAN  
  

> open 4UEL.cif

4UEL.cif title:  
UCH-L5 in complex with ubiquitin-propargyl bound to the RPN13 DEUBAD domain
[more info...]  
  
Chain information for 4UEL.cif #14  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
B | polyubiquitin-B | UBB_HUMAN  
C | proteasomal ubiquitin receptor ADRM1 | ADRM1_HUMAN  
  
Non-standard residues in 4UEL.cif #14  
---  
AYE — prop-2-en-1-amine (allylamine)  
  

> open 4UF5.cif

4UF5.cif title:  
Crystal structure of UCH-L5 in complex with inhibitory fragment of INO80G
[more info...]  
  
Chain information for 4UF5.cif #15  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
B | nuclear factor related to κ-B-binding protein | NFRKB_HUMAN  
  

> preset cartoons/nucleotides ribbons/slabs

Using preset: Cartoons/Nucleotides / Ribbons/Slabs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    nucleotides tube/slab shape box

  

> set bgColor white

> graphics silhouettes false

> lighting simple

> name L5-1 #1/A

> name L5-2 #2/A

> name L5-3 #3/A

> name L5-4 #4/A

> name L5-5 #5/A

> name L5-apo #6

> name L5-active #7

> name L5-inactive #8

> name rpn13-apo #9

> name rpn13-active #10

> name ub #10

> name Uld #1-12/A:225-350

> name ULD-rpn13 #9/A:225-350

> name ULD-ino80 #11/A:225-350

> matchmaker #2-8/A to #1/A

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 uchl5-3a7s, chain A (#1) with uchl5-3rii, chain A (#2), sequence
alignment score = 981.8  
RMSD between 199 pruned atom pairs is 0.515 angstroms; (across all 204 pairs:
0.699)  
  
Matchmaker uchl5-3a7s, chain A (#1) with uchl5-3ris, chain A (#3), sequence
alignment score = 982.5  
RMSD between 201 pruned atom pairs is 0.652 angstroms; (across all 204 pairs:
0.740)  
  
Matchmaker uchl5-3a7s, chain A (#1) with uchl5-3tb3, chain A (#4), sequence
alignment score = 1009.7  
RMSD between 200 pruned atom pairs is 0.621 angstroms; (across all 204 pairs:
0.805)  
  
Matchmaker uchl5-3a7s, chain A (#1) with uchl5-3ihr, chain A (#5), sequence
alignment score = 1006  
RMSD between 190 pruned atom pairs is 0.687 angstroms; (across all 203 pairs:
0.998)  
  
Matchmaker uchl5-3a7s, chain A (#1) with apoL5_4uem, chain A (#6), sequence
alignment score = 935.5  
RMSD between 179 pruned atom pairs is 0.801 angstroms; (across all 198 pairs:
2.497)  
  
Matchmaker uchl5-3a7s, chain A (#1) with activeL5_4uel, chain A (#7), sequence
alignment score = 954.3  
RMSD between 176 pruned atom pairs is 0.874 angstroms; (across all 204 pairs:
1.541)  
  
Matchmaker uchl5-3a7s, chain A (#1) with inactivel5_4uf5, chain A (#8),
sequence alignment score = 984.9  
RMSD between 191 pruned atom pairs is 0.822 angstroms; (across all 204 pairs:
1.111)  
  

> matchmaker #13-15/A to #1/A

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 uchl5-3a7s, chain A (#1) with 4UEM.cif, chain A (#13), sequence
alignment score = 963.3  
RMSD between 179 pruned atom pairs is 0.801 angstroms; (across all 196 pairs:
1.209)  
  
Matchmaker uchl5-3a7s, chain A (#1) with 4UEL.cif, chain A (#14), sequence
alignment score = 948.3  
RMSD between 176 pruned atom pairs is 0.874 angstroms; (across all 204 pairs:
1.541)  
  
Matchmaker uchl5-3a7s, chain A (#1) with 4UF5.cif, chain A (#15), sequence
alignment score = 972.9  
RMSD between 191 pruned atom pairs is 0.822 angstroms; (across all 204 pairs:
1.111)  
  

> matchmaker #9/B to #13/B

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 4UEM.cif, chain B (#13) with rpn13-4uem, chain B (#9), sequence
alignment score = 499.5  
RMSD between 98 pruned atom pairs is 0.000 angstroms; (across all 98 pairs:
0.000)  
  

> matchmaker #10/C to #14/C

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 4UEL.cif, chain C (#14) with rpn13-ub-4uel, chain C (#10), sequence
alignment score = 498.9  
RMSD between 98 pruned atom pairs is 0.000 angstroms; (across all 98 pairs:
0.000)  
  

> matchmaker #11/B to #15/B

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 4UF5.cif, chain B (#15) with ino80-4uf5, chain B (#11), sequence
alignment score = 582.8  
RMSD between 110 pruned atom pairs is 0.000 angstroms; (across all 110 pairs:
0.000)  
  

> matchmaker #12/B to #14/B

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 4UEL.cif, chain B (#14) with ub-4uel, chain B (#12), sequence
alignment score = 376.5  
RMSD between 75 pruned atom pairs is 0.000 angstroms; (across all 75 pairs:
0.000)  
  

> view

> view matrix camera
> 0.73046,0.077942,-0.67851,-121.86,0.43998,-0.81354,0.38022,86.379,-0.52235,-0.57627,-0.62854,-136.47

> view name view2

> view matrix camera
> 0.32874,0.87188,0.363,114.86,0.061267,-0.40325,0.91304,222.83,0.94243,-0.27791,-0.186,-31.174

> view name overview1

> view overview1

> colordef rpn13 lawn green

Color 'rpn13' is opaque: rgb(48.6%, 98.8%, 0%) hex: #7cfc00

  

> colordef ino80 orange red

Color 'ino80' is opaque: rgb(100%, 27.1%, 0%) hex: #ff4500

  

> colordef generic #e6e7e8

Color 'generic' is opaque: rgb(90.2%, 90.6%, 91%) hex: #e6e7e8

  

> colordef ub gold

Color 'ub' is opaque: rgb(100%, 84.3%, 0%) hex: #ffd700

  

> colordef l5active silver

Color 'l5active' is opaque: gray(75.3%) hex: #c0c0c0

  

> colordef l5inactive silver

Color 'l5inactive' is opaque: gray(75.3%) hex: #c0c0c0

  

> colordef uld light steel blue

Color 'uld' is opaque: rgb(69%, 76.9%, 87.1%) hex: #b0c4de

  

> colordef l5 royal blue

Color 'l5' is opaque: rgb(25.5%, 41.2%, 88.2%) hex: #4169e1

  

> color #12 ub

> color #1-8 l5

> color all byhetero

> color Uld uld

> color #9 rpn13

> color #11 ino80

> cofr 20.394, -3.2716, 33.906

> hide all

> hide cartoons

> movie record

> show #7 cartoons

> rock x 30 cycle 120

> rock y 30 cycle 120

> wait 60

> show #12 cartoons

> wait 60

> show #9 cartoons

> wait 120

> hide #9,12 cartoons

> morph #7,8 hideModels false frames 60

Computed 61 frame morph #16  

> coordset #16 1,61

> color #16 uld

> hide cartoons

> stop

> cofr 39.217, 12.068, 15.496

> matchmaker #15/A:225-350 to #13/A:225-350

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 4UEM.cif, chain A (#13) with 4UF5.cif, chain A (#15), sequence
alignment score = 396.4  
RMSD between 33 pruned atom pairs is 1.272 angstroms; (across all 81 pairs:
4.378)  
  

> name ULD-ino80 #15/A:225-350

> name ULD-rpn13 #13/A:225-350

> name moved-ino80 #15/B

> name new-rpn13 #13/B

> color moved-ino80 orange red

> color new-rpn13 lawn green

> color ULD-rpn13 uld

> color ULD-ino80 uld

> cofr 39.217, 12.068, 15.496

> show ULD-rpn13 cartoons

> wait 20

> rock X 30 cycle 120

> show new-rpn13 cartoons

> wait 30

> show ULD-ino80 cartoons

> show moved-ino80 cartoons

> wait 120

> hide moved-ino80 cartoons

> hide new-rpn13 cartoons

> hide ULD-ino80 cartoons

> wait 30

> show #16 cartoons

> coordset #16 1,60 bounce true loop 2

> coordset #16 1,60

> show #7,8 models

> show #7 cartoons

> show #8 cartoons

> wait 180

> hide #7,16 cartoons

> show #11 cartoons

> wait 120

> show #12 cartoons

> wait 120

> hide #12 cartoons

> wait 120

> movie stop

> movie encode uchl5-test.mp4

Movie saved to uchl5-test.mp4  
  
executed UCHL5_full-range.cxc  

> stop

> open
> /Users/home/surfdrive/Documents_surfdrive/Talks_surfdrive/chains2022/movie-
> work/movies-andrea/uchl5/UCHL5_full-range.cxc

> delete all

> ~hbonds

> ~distance

> select clear

> stop

> view orient

> open 3a7s.pdb name uchl5-3a7s

uchl5-3a7s title:  
Catalytic domain of UCH37 [more info...]  
  
Chain information for uchl5-3a7s #1  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
  
Non-standard residues in uchl5-3a7s #1  
---  
CL — chloride ion  
  

> open 3rii-a.pdb name uchl5-3rii

Chain information for uchl5-3rii #2  
---  
Chain | Description  
A | No description available  
  

> open 3ris-a.pdb name uchl5-3ris

Chain information for uchl5-3ris #3  
---  
Chain | Description  
A | No description available  
  

> open 3tb3-a.pdb name uchl5-3tb3

Chain information for uchl5-3tb3 #4  
---  
Chain | Description  
A | No description available  
  

> open 3ihr.pdb name uchl5-3ihr

uchl5-3ihr title:  
Crystal structure of UCH37 [more info...]  
  
Chain information for uchl5-3ihr #5  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
  
Non-standard residues in uchl5-3ihr #5  
---  
FMT — formic acid  
NA — sodium ion  
  

> open l5-4uem.pdb name apoL5_4uem

Chain information for apoL5_4uem #6  
---  
Chain | Description  
A | No description available  
  

> open l5-4uel.pdb name activeL5_4uel

Chain information for activeL5_4uel #7  
---  
Chain | Description  
A | No description available  
  

> open l5-4uf5.pdb name inactivel5_4uf5

Chain information for inactivel5_4uf5 #8  
---  
Chain | Description  
A | No description available  
  

> open rpn13-4uem.pdb name rpn13-4uem

Chain information for rpn13-4uem #9  
---  
Chain | Description  
B | No description available  
  

> open rpn13-4uel.pdb name rpn13-ub-4uel

Chain information for rpn13-ub-4uel #10  
---  
Chain | Description  
C | No description available  
  

> open ino80-4uf5.pdb name ino80-4uf5

Chain information for ino80-4uf5 #11  
---  
Chain | Description  
B | No description available  
  

> open ub-4uel.pdb name ub-4uel

Chain information for ub-4uel #12  
---  
Chain | Description  
B | No description available  
  

> open 4UEM.cif

4UEM.cif title:  
UCH-L5 in complex with the RPN13 DEUBAD domain [more info...]  
  
Chain information for 4UEM.cif #13  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
B | proteasomal ubiquitin receptor ADRM1 | ADRM1_HUMAN  
  

> open 4UEL.cif

4UEL.cif title:  
UCH-L5 in complex with ubiquitin-propargyl bound to the RPN13 DEUBAD domain
[more info...]  
  
Chain information for 4UEL.cif #14  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
B | polyubiquitin-B | UBB_HUMAN  
C | proteasomal ubiquitin receptor ADRM1 | ADRM1_HUMAN  
  
Non-standard residues in 4UEL.cif #14  
---  
AYE — prop-2-en-1-amine (allylamine)  
  

> open 4UF5.cif

4UF5.cif title:  
Crystal structure of UCH-L5 in complex with inhibitory fragment of INO80G
[more info...]  
  
Chain information for 4UF5.cif #15  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
B | nuclear factor related to κ-B-binding protein | NFRKB_HUMAN  
  

> preset cartoons/nucleotides ribbons/slabs

Using preset: Cartoons/Nucleotides / Ribbons/Slabs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    nucleotides tube/slab shape box

  

> set bgColor white

> graphics silhouettes false

> lighting simple

> name L5-1 #1/A

> name L5-2 #2/A

> name L5-3 #3/A

> name L5-4 #4/A

> name L5-5 #5/A

> name L5-apo #6

> name L5-active #7

> name L5-inactive #8

> name rpn13-apo #9

> name rpn13-active #10

> name ub #10

> name Uld #1-12/A:225-350

> name ULD-rpn13 #9/A:225-350

> name ULD-ino80 #11/A:225-350

> matchmaker #2-8/A to #1/A

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 uchl5-3a7s, chain A (#1) with uchl5-3rii, chain A (#2), sequence
alignment score = 981.8  
RMSD between 199 pruned atom pairs is 0.515 angstroms; (across all 204 pairs:
0.699)  
  
Matchmaker uchl5-3a7s, chain A (#1) with uchl5-3ris, chain A (#3), sequence
alignment score = 982.5  
RMSD between 201 pruned atom pairs is 0.652 angstroms; (across all 204 pairs:
0.740)  
  
Matchmaker uchl5-3a7s, chain A (#1) with uchl5-3tb3, chain A (#4), sequence
alignment score = 1009.7  
RMSD between 200 pruned atom pairs is 0.621 angstroms; (across all 204 pairs:
0.805)  
  
Matchmaker uchl5-3a7s, chain A (#1) with uchl5-3ihr, chain A (#5), sequence
alignment score = 1006  
RMSD between 190 pruned atom pairs is 0.687 angstroms; (across all 203 pairs:
0.998)  
  
Matchmaker uchl5-3a7s, chain A (#1) with apoL5_4uem, chain A (#6), sequence
alignment score = 935.5  
RMSD between 179 pruned atom pairs is 0.801 angstroms; (across all 198 pairs:
2.497)  
  
Matchmaker uchl5-3a7s, chain A (#1) with activeL5_4uel, chain A (#7), sequence
alignment score = 954.3  
RMSD between 176 pruned atom pairs is 0.874 angstroms; (across all 204 pairs:
1.541)  
  
Matchmaker uchl5-3a7s, chain A (#1) with inactivel5_4uf5, chain A (#8),
sequence alignment score = 984.9  
RMSD between 191 pruned atom pairs is 0.822 angstroms; (across all 204 pairs:
1.111)  
  

> matchmaker #13-15/A to #1/A

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 uchl5-3a7s, chain A (#1) with 4UEM.cif, chain A (#13), sequence
alignment score = 963.3  
RMSD between 179 pruned atom pairs is 0.801 angstroms; (across all 196 pairs:
1.209)  
  
Matchmaker uchl5-3a7s, chain A (#1) with 4UEL.cif, chain A (#14), sequence
alignment score = 948.3  
RMSD between 176 pruned atom pairs is 0.874 angstroms; (across all 204 pairs:
1.541)  
  
Matchmaker uchl5-3a7s, chain A (#1) with 4UF5.cif, chain A (#15), sequence
alignment score = 972.9  
RMSD between 191 pruned atom pairs is 0.822 angstroms; (across all 204 pairs:
1.111)  
  

> matchmaker #9/B to #13/B

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 4UEM.cif, chain B (#13) with rpn13-4uem, chain B (#9), sequence
alignment score = 499.5  
RMSD between 98 pruned atom pairs is 0.000 angstroms; (across all 98 pairs:
0.000)  
  

> matchmaker #10/C to #14/C

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 4UEL.cif, chain C (#14) with rpn13-ub-4uel, chain C (#10), sequence
alignment score = 498.9  
RMSD between 98 pruned atom pairs is 0.000 angstroms; (across all 98 pairs:
0.000)  
  

> matchmaker #11/B to #15/B

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 4UF5.cif, chain B (#15) with ino80-4uf5, chain B (#11), sequence
alignment score = 582.8  
RMSD between 110 pruned atom pairs is 0.000 angstroms; (across all 110 pairs:
0.000)  
  

> matchmaker #12/B to #14/B

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 4UEL.cif, chain B (#14) with ub-4uel, chain B (#12), sequence
alignment score = 376.5  
RMSD between 75 pruned atom pairs is 0.000 angstroms; (across all 75 pairs:
0.000)  
  

> view

> view matrix camera
> 0.73046,0.077942,-0.67851,-121.86,0.43998,-0.81354,0.38022,86.379,-0.52235,-0.57627,-0.62854,-136.47

> view name view2

> view matrix camera
> 0.32874,0.87188,0.363,114.86,0.061267,-0.40325,0.91304,222.83,0.94243,-0.27791,-0.186,-31.174

> view name overview1

> view overview1

> colordef rpn13 lawn green

Color 'rpn13' is opaque: rgb(48.6%, 98.8%, 0%) hex: #7cfc00

  

> colordef ino80 orange red

Color 'ino80' is opaque: rgb(100%, 27.1%, 0%) hex: #ff4500

  

> colordef generic #e6e7e8

Color 'generic' is opaque: rgb(90.2%, 90.6%, 91%) hex: #e6e7e8

  

> colordef ub gold

Color 'ub' is opaque: rgb(100%, 84.3%, 0%) hex: #ffd700

  

> colordef l5active silver

Color 'l5active' is opaque: gray(75.3%) hex: #c0c0c0

  

> colordef l5inactive silver

Color 'l5inactive' is opaque: gray(75.3%) hex: #c0c0c0

  

> colordef uld light steel blue

Color 'uld' is opaque: rgb(69%, 76.9%, 87.1%) hex: #b0c4de

  

> colordef l5 royal blue

Color 'l5' is opaque: rgb(25.5%, 41.2%, 88.2%) hex: #4169e1

  

> color #12 ub

> color #1-8 l5

> color all byhetero

> color Uld uld

> color #9 rpn13

> color #11 ino80

> cofr 20.394, -3.2716, 33.906

> hide all

> hide cartoons

> movie record

> show #7 cartoons

> rock x 30 cycle 120

> rock y 30 cycle 120

> wait 60

> show #12 cartoons

> wait 60

> show #9 cartoons

> wait 120

> hide #9,12 cartoons

> morph #7,8 hideModels false frames 60

Computed 61 frame morph #16  

> coordset #16 1,61

> color #16 uld

> hide cartoons

> stop

> cofr 39.217, 12.068, 15.496

> matchmaker #15/A:225-350 to #13/A:225-350

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 4UEM.cif, chain A (#13) with 4UF5.cif, chain A (#15), sequence
alignment score = 396.4  
RMSD between 33 pruned atom pairs is 1.272 angstroms; (across all 81 pairs:
4.378)  
  

> name ULD-ino80 #15/A:225-350

> name ULD-rpn13 #13/A:225-350

> name moved-ino80 #15/B

> name new-rpn13 #13/B

> color moved-ino80 orange red

> color new-rpn13 lawn green

> color ULD-rpn13 uld

> color ULD-ino80 uld

> cofr 39.217, 12.068, 15.496

> show ULD-rpn13 cartoons

> wait 20

> rock X 30 cycle 120

> show new-rpn13 cartoons

> wait 30

> show ULD-ino80 cartoons

> show moved-ino80 cartoons

> wait 120

> hide moved-ino80 cartoons

> hide new-rpn13 cartoons

> hide ULD-ino80 cartoons

> wait 30

> show #16 cartoons

> coordset #16 1,60 bounce true loop 2

> show #7,8 models

> show #7 cartoons

> show #8 cartoons

> wait 90

> show #9 cartoons

> wait 30

> hide #9 cartoons

> coordset #16 1,60

> hide #7,16 cartoons

> show #11 cartoons

> wait 120

> show #12 cartoons

> wait 120

> hide #12 cartoons

> wait 120

> movie stop

> movie encode uchl5-test.mp4

Movie saved to uchl5-test.mp4  
  
executed UCHL5_full-range.cxc  

> stop

> open
> /Users/home/surfdrive/Documents_surfdrive/Talks_surfdrive/chains2022/movie-
> work/movies-andrea/uchl5/UCHL5_full-range.cxc

> delete all

> ~hbonds

> ~distance

> select clear

> stop

> view orient

> open 3a7s.pdb name uchl5-3a7s

uchl5-3a7s title:  
Catalytic domain of UCH37 [more info...]  
  
Chain information for uchl5-3a7s #1  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
  
Non-standard residues in uchl5-3a7s #1  
---  
CL — chloride ion  
  

> open 3rii-a.pdb name uchl5-3rii

Chain information for uchl5-3rii #2  
---  
Chain | Description  
A | No description available  
  

> open 3ris-a.pdb name uchl5-3ris

Chain information for uchl5-3ris #3  
---  
Chain | Description  
A | No description available  
  

> open 3tb3-a.pdb name uchl5-3tb3

Chain information for uchl5-3tb3 #4  
---  
Chain | Description  
A | No description available  
  

> open 3ihr.pdb name uchl5-3ihr

uchl5-3ihr title:  
Crystal structure of UCH37 [more info...]  
  
Chain information for uchl5-3ihr #5  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
  
Non-standard residues in uchl5-3ihr #5  
---  
FMT — formic acid  
NA — sodium ion  
  

> open l5-4uem.pdb name apoL5_4uem

Chain information for apoL5_4uem #6  
---  
Chain | Description  
A | No description available  
  

> open l5-4uel.pdb name activeL5_4uel

Chain information for activeL5_4uel #7  
---  
Chain | Description  
A | No description available  
  

> open l5-4uf5.pdb name inactivel5_4uf5

Chain information for inactivel5_4uf5 #8  
---  
Chain | Description  
A | No description available  
  

> open rpn13-4uem.pdb name rpn13-4uem

Chain information for rpn13-4uem #9  
---  
Chain | Description  
B | No description available  
  

> open rpn13-4uel.pdb name rpn13-ub-4uel

Chain information for rpn13-ub-4uel #10  
---  
Chain | Description  
C | No description available  
  

> open ino80-4uf5.pdb name ino80-4uf5

Chain information for ino80-4uf5 #11  
---  
Chain | Description  
B | No description available  
  

> open ub-4uel.pdb name ub-4uel

Chain information for ub-4uel #12  
---  
Chain | Description  
B | No description available  
  

> open 4UEM.cif

4UEM.cif title:  
UCH-L5 in complex with the RPN13 DEUBAD domain [more info...]  
  
Chain information for 4UEM.cif #13  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
B | proteasomal ubiquitin receptor ADRM1 | ADRM1_HUMAN  
  

> open 4UEL.cif

4UEL.cif title:  
UCH-L5 in complex with ubiquitin-propargyl bound to the RPN13 DEUBAD domain
[more info...]  
  
Chain information for 4UEL.cif #14  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
B | polyubiquitin-B | UBB_HUMAN  
C | proteasomal ubiquitin receptor ADRM1 | ADRM1_HUMAN  
  
Non-standard residues in 4UEL.cif #14  
---  
AYE — prop-2-en-1-amine (allylamine)  
  

> open 4UF5.cif

4UF5.cif title:  
Crystal structure of UCH-L5 in complex with inhibitory fragment of INO80G
[more info...]  
  
Chain information for 4UF5.cif #15  
---  
Chain | Description | UniProt  
A | ubiquitin carboxyl-terminal hydrolase isozyme L5 | UCHL5_HUMAN  
B | nuclear factor related to κ-B-binding protein | NFRKB_HUMAN  
  

> preset cartoons/nucleotides ribbons/slabs

Using preset: Cartoons/Nucleotides / Ribbons/Slabs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    nucleotides tube/slab shape box

  

> set bgColor white

> graphics silhouettes false

> lighting simple

> name L5-1 #1/A

> name L5-2 #2/A

> name L5-3 #3/A

> name L5-4 #4/A

> name L5-5 #5/A

> name L5-apo #6

> name L5-active #7

> name L5-inactive #8

> name rpn13-apo #9

> name rpn13-active #10

> name ub #10

> name Uld #1-12/A:225-350

> name ULD-rpn13 #9/A:225-350

> name ULD-ino80 #11/A:225-350

> matchmaker #2-8/A to #1/A

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 uchl5-3a7s, chain A (#1) with uchl5-3rii, chain A (#2), sequence
alignment score = 981.8  
RMSD between 199 pruned atom pairs is 0.515 angstroms; (across all 204 pairs:
0.699)  
  
Matchmaker uchl5-3a7s, chain A (#1) with uchl5-3ris, chain A (#3), sequence
alignment score = 982.5  
RMSD between 201 pruned atom pairs is 0.652 angstroms; (across all 204 pairs:
0.740)  
  
Matchmaker uchl5-3a7s, chain A (#1) with uchl5-3tb3, chain A (#4), sequence
alignment score = 1009.7  
RMSD between 200 pruned atom pairs is 0.621 angstroms; (across all 204 pairs:
0.805)  
  
Matchmaker uchl5-3a7s, chain A (#1) with uchl5-3ihr, chain A (#5), sequence
alignment score = 1006  
RMSD between 190 pruned atom pairs is 0.687 angstroms; (across all 203 pairs:
0.998)  
  
Matchmaker uchl5-3a7s, chain A (#1) with apoL5_4uem, chain A (#6), sequence
alignment score = 935.5  
RMSD between 179 pruned atom pairs is 0.801 angstroms; (across all 198 pairs:
2.497)  
  
Matchmaker uchl5-3a7s, chain A (#1) with activeL5_4uel, chain A (#7), sequence
alignment score = 954.3  
RMSD between 176 pruned atom pairs is 0.874 angstroms; (across all 204 pairs:
1.541)  
  
Matchmaker uchl5-3a7s, chain A (#1) with inactivel5_4uf5, chain A (#8),
sequence alignment score = 984.9  
RMSD between 191 pruned atom pairs is 0.822 angstroms; (across all 204 pairs:
1.111)  
  

> matchmaker #13-15/A to #1/A

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 uchl5-3a7s, chain A (#1) with 4UEM.cif, chain A (#13), sequence
alignment score = 963.3  
RMSD between 179 pruned atom pairs is 0.801 angstroms; (across all 196 pairs:
1.209)  
  
Matchmaker uchl5-3a7s, chain A (#1) with 4UEL.cif, chain A (#14), sequence
alignment score = 948.3  
RMSD between 176 pruned atom pairs is 0.874 angstroms; (across all 204 pairs:
1.541)  
  
Matchmaker uchl5-3a7s, chain A (#1) with 4UF5.cif, chain A (#15), sequence
alignment score = 972.9  
RMSD between 191 pruned atom pairs is 0.822 angstroms; (across all 204 pairs:
1.111)  
  

> matchmaker #9/B to #13/B

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 4UEM.cif, chain B (#13) with rpn13-4uem, chain B (#9), sequence
alignment score = 499.5  
RMSD between 98 pruned atom pairs is 0.000 angstroms; (across all 98 pairs:
0.000)  
  

> matchmaker #10/C to #14/C

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 4UEL.cif, chain C (#14) with rpn13-ub-4uel, chain C (#10), sequence
alignment score = 498.9  
RMSD between 98 pruned atom pairs is 0.000 angstroms; (across all 98 pairs:
0.000)  
  

> matchmaker #11/B to #15/B

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 4UF5.cif, chain B (#15) with ino80-4uf5, chain B (#11), sequence
alignment score = 582.8  
RMSD between 110 pruned atom pairs is 0.000 angstroms; (across all 110 pairs:
0.000)  
  

> matchmaker #12/B to #14/B

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 4UEL.cif, chain B (#14) with ub-4uel, chain B (#12), sequence
alignment score = 376.5  
RMSD between 75 pruned atom pairs is 0.000 angstroms; (across all 75 pairs:
0.000)  
  

> view

> view matrix camera
> 0.73046,0.077942,-0.67851,-121.86,0.43998,-0.81354,0.38022,86.379,-0.52235,-0.57627,-0.62854,-136.47

> view name view2

> view matrix camera
> 0.32874,0.87188,0.363,114.86,0.061267,-0.40325,0.91304,222.83,0.94243,-0.27791,-0.186,-31.174

> view name overview1

> view overview1

> colordef rpn13 lawn green

Color 'rpn13' is opaque: rgb(48.6%, 98.8%, 0%) hex: #7cfc00

  

> colordef ino80 orange red

Color 'ino80' is opaque: rgb(100%, 27.1%, 0%) hex: #ff4500

  

> colordef generic #e6e7e8

Color 'generic' is opaque: rgb(90.2%, 90.6%, 91%) hex: #e6e7e8

  

> colordef ub gold

Color 'ub' is opaque: rgb(100%, 84.3%, 0%) hex: #ffd700

  

> colordef l5active silver

Color 'l5active' is opaque: gray(75.3%) hex: #c0c0c0

  

> colordef l5inactive silver

Color 'l5inactive' is opaque: gray(75.3%) hex: #c0c0c0

  

> colordef uld light steel blue

Color 'uld' is opaque: rgb(69%, 76.9%, 87.1%) hex: #b0c4de

  

> colordef l5 royal blue

Color 'l5' is opaque: rgb(25.5%, 41.2%, 88.2%) hex: #4169e1

  

> color #12 ub

> color #1-8 l5

> color all byhetero

> color Uld uld

> color #9 rpn13

> color #11 ino80

> cofr 20.394, -3.2716, 33.906

> hide all

> hide cartoons

> movie record

> show #7 cartoons

> rock x 30 cycle 120

> rock y 30 cycle 120

> wait 60

> show #12 cartoons

> wait 60

> show #9 cartoons

> wait 120

> hide #9,12 cartoons

> morph #7,8 hideModels false frames 60

Computed 61 frame morph #16  

> coordset #16 1,61

> color #16 uld

> hide cartoons

> stop

> cofr 39.217, 12.068, 15.496

> matchmaker #15/A:225-350 to #13/A:225-350

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 4UEM.cif, chain A (#13) with 4UF5.cif, chain A (#15), sequence
alignment score = 396.4  
RMSD between 33 pruned atom pairs is 1.272 angstroms; (across all 81 pairs:
4.378)  
  

> name ULD-ino80 #15/A:225-350

> name ULD-rpn13 #13/A:225-350

> name moved-ino80 #15/B

> name new-rpn13 #13/B

> color moved-ino80 orange red

> color new-rpn13 lawn green

> color ULD-rpn13 uld

> color ULD-ino80 uld

> cofr 39.217, 12.068, 15.496

> show ULD-rpn13 cartoons

> wait 20

> rock X 30 cycle 120

> show new-rpn13 cartoons

> wait 30

> show ULD-ino80 cartoons

> show moved-ino80 cartoons

> wait 120

> hide moved-ino80 cartoons

> hide new-rpn13 cartoons

> hide ULD-ino80 cartoons

> wait 30

> show #16 cartoons

> coordset #16 1,60 bounce true loop 2

> show #7,8 models

> show #7 cartoons

> show #8 cartoons

> wait 120

> show #9 cartoons

> wait 30

> hide #9 cartoons

> coordset #16 1,60

> hide #7,16 cartoons

> wait 60

> show #11 cartoons

> wait 90

> show #12 cartoons

> wait 60

> hide #12 cartoons

> wait 120

> movie stop

> movie encode uchl5-test.mp4


===== Log before crash end =====

Log:
UCSF ChimeraX version: 1.4 (2022-06-03)  
© 2016-2022 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 Metal - 76.3
OpenGL renderer: Apple M1
OpenGL vendor: Apple

Python: 3.9.11
Locale: UTF-8
Qt version: PyQt6 6.3.0, Qt 6.3.0
Qt runtime version: 6.3.0
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Air
      Model Identifier: MacBookAir10,1
      Processor Name: Unknown
      Processor Speed: 2.4 GHz
      Number of Processors: 1
      Total Number of Cores: 8
      L2 Cache: 8 MB
      Memory: 8 GB

Software:

    System Software Overview:

      System Version: macOS 12.4 (21F79)
      Kernel Version: Darwin 21.5.0
      Time since boot: 3 days 17:19

Graphics/Displays:

    Apple M1:

      Chipset Model: Apple M1
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 8
      Vendor: Apple (0x106b)
      Metal Family: Supported, Metal GPUFamily Apple 7
      Displays:
        Color LCD:
          Display Type: Built-In Retina LCD
          Resolution: 2560 x 1600 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.12
    appdirs: 1.4.4
    appnope: 0.1.3
    Babel: 2.10.1
    backcall: 0.2.0
    blockdiag: 3.0.0
    certifi: 2021.10.8
    cftime: 1.6.0
    charset-normalizer: 2.0.12
    ChimeraX-AddCharge: 1.2.3
    ChimeraX-AddH: 2.1.11
    ChimeraX-AlignmentAlgorithms: 2.0
    ChimeraX-AlignmentHdrs: 3.2.1
    ChimeraX-AlignmentMatrices: 2.0
    ChimeraX-Alignments: 2.4.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.0
    ChimeraX-Atomic: 1.39.1
    ChimeraX-AtomicLibrary: 7.0
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.1
    ChimeraX-BasicActions: 1.1
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.1
    ChimeraX-BondRot: 2.0
    ChimeraX-BugReporter: 1.0
    ChimeraX-BuildStructure: 2.7
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.1
    ChimeraX-ButtonPanel: 1.0
    ChimeraX-CageBuilder: 1.0
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.2
    ChimeraX-ChemGroup: 2.0
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.1
    ChimeraX-CommandLine: 1.2.3
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0
    ChimeraX-Core: 1.4
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.3.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0
    ChimeraX-DataFormats: 1.2.2
    ChimeraX-Dicom: 1.1
    ChimeraX-DistMonitor: 1.1.5
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ExperimentalCommands: 1.0
    ChimeraX-FileHistory: 1.0
    ChimeraX-FunctionKey: 1.0
    ChimeraX-Geometry: 1.2
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1
    ChimeraX-Hbonds: 2.1.2
    ChimeraX-Help: 1.2
    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
    ChimeraX-Label: 1.1.1
    ChimeraX-ListInfo: 1.1.1
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.1
    ChimeraX-Map: 1.1
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0
    ChimeraX-MapFilter: 2.0
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1
    ChimeraX-Markers: 1.0
    ChimeraX-Mask: 1.0
    ChimeraX-MatchMaker: 2.0.6
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.1
    ChimeraX-Meeting: 1.0
    ChimeraX-MLP: 1.1
    ChimeraX-mmCIF: 2.7
    ChimeraX-MMTF: 2.1
    ChimeraX-Modeller: 1.5.5
    ChimeraX-ModelPanel: 1.3.2
    ChimeraX-ModelSeries: 1.0
    ChimeraX-Mol2: 2.0
    ChimeraX-Morph: 1.0
    ChimeraX-MouseModes: 1.1
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nucleotides: 2.0.2
    ChimeraX-OpenCommand: 1.9
    ChimeraX-PDB: 2.6.6
    ChimeraX-PDBBio: 1.0
    ChimeraX-PDBLibrary: 1.0.2
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-ResidueFit: 1.0
    ChimeraX-RestServer: 1.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 2.0.1
    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
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.6
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0
    ChimeraX-Shortcuts: 1.1
    ChimeraX-ShowAttr: 1.0
    ChimeraX-ShowSequences: 1.0
    ChimeraX-SideView: 1.0
    ChimeraX-Smiles: 2.1
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.8
    ChimeraX-STL: 1.0
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.0.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0
    ChimeraX-SwapAA: 2.0
    ChimeraX-SwapRes: 2.1.1
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.1
    ChimeraX-ToolshedUtils: 1.2.1
    ChimeraX-Tug: 1.0
    ChimeraX-UI: 1.18.3
    ChimeraX-uniprot: 2.2
    ChimeraX-UnitCell: 1.0
    ChimeraX-ViewDockX: 1.1.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0
    ChimeraX-WebServices: 1.1.0
    ChimeraX-Zone: 1.0
    colorama: 0.4.4
    cxservices: 1.2
    cycler: 0.11.0
    Cython: 0.29.26
    debugpy: 1.6.0
    decorator: 5.1.1
    docutils: 0.17.1
    entrypoints: 0.4
    filelock: 3.4.2
    fonttools: 4.33.3
    funcparserlib: 1.0.0
    grako: 3.16.5
    h5py: 3.7.0
    html2text: 2020.1.16
    idna: 3.3
    ihm: 0.27
    imagecodecs: 2021.11.20
    imagesize: 1.3.0
    ipykernel: 6.6.1
    ipython: 7.31.1
    ipython-genutils: 0.2.0
    jedi: 0.18.1
    Jinja2: 3.0.3
    jupyter-client: 7.1.0
    jupyter-core: 4.10.0
    kiwisolver: 1.4.2
    line-profiler: 3.4.0
    lxml: 4.7.1
    lz4: 3.1.10
    MarkupSafe: 2.1.1
    matplotlib: 3.5.1
    matplotlib-inline: 0.1.3
    msgpack: 1.0.3
    nest-asyncio: 1.5.5
    netCDF4: 1.5.8
    networkx: 2.6.3
    numexpr: 2.8.1
    numpy: 1.22.1
    openvr: 1.16.802
    packaging: 21.0
    ParmEd: 3.4.3
    parso: 0.8.3
    pexpect: 4.8.0
    pickleshare: 0.7.5
    Pillow: 9.0.1
    pip: 21.3.1
    pkginfo: 1.8.2
    prompt-toolkit: 3.0.29
    psutil: 5.9.0
    ptyprocess: 0.7.0
    pycollada: 0.7.2
    pydicom: 2.2.2
    Pygments: 2.11.2
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.9
    PyQt6-commercial: 6.3.0
    PyQt6-Qt6: 6.3.0
    PyQt6-sip: 13.3.1
    PyQt6-WebEngine-commercial: 6.3.0
    PyQt6-WebEngine-Qt6: 6.3.0
    python-dateutil: 2.8.2
    pytz: 2022.1
    pyzmq: 23.1.0
    qtconsole: 5.3.0
    QtPy: 2.1.0
    RandomWords: 0.3.0
    requests: 2.27.1
    scipy: 1.7.3
    setuptools: 59.8.0
    sfftk-rw: 0.7.2
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    Sphinx: 4.3.2
    sphinx-autodoc-typehints: 1.15.2
    sphinxcontrib-applehelp: 1.0.2
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    suds-community: 1.0.0
    tables: 3.7.0
    tifffile: 2021.11.2
    tinyarray: 1.2.4
    tornado: 6.1
    traitlets: 5.1.1
    urllib3: 1.26.9
    wcwidth: 0.2.5
    webcolors: 1.11.1
    wheel: 0.37.1
    wheel-filename: 1.3.0

}}}
"	defect	closed	normal		Platform		limitation		Tom Goddard				all	ChimeraX
