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Opened 7 months ago
Closed 7 months ago
#17316 closed defect (can't reproduce)
Status bar: glClear: invalid framebuffer operation
| Reported by: | Owned by: | Tom Goddard | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Graphics | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description (last modified by )
The following bug report has been submitted:
Platform: macOS-15.4-arm64-arm-64bit
ChimeraX Version: 1.8 (2024-06-10 23:15:52 UTC)
Description
(Describe the actions that caused this problem to occur here)
Log:
UCSF ChimeraX version: 1.8 (2024-06-10)
© 2016-2024 Regents of the University of California. All rights reserved.
> open /Users/U1029809/Desktop/mIgG3Fc_Iterations/1HZHcrystalpackcomp.cxs
> format session
Log from Tue Dec 10 15:25:34 2024UCSF ChimeraX version: 1.8 (2024-06-10)
© 2016-2024 Regents of the University of California. All rights reserved.
> open /Users/U1029809/Desktop/mIgG3Fc_Iterations/1HZHcrystalpackcomp.cxs
Log from Mon Dec 9 17:41:06 2024UCSF ChimeraX version: 1.8 (2024-06-10)
© 2016-2024 Regents of the University of California. All rights reserved.
> open /Users/U1029809/Desktop/mIgG3Fc_Iterations/1HZHcrystalpack.cxs
Log from Sun Dec 8 17:40:47 2024UCSF ChimeraX version: 1.8 (2024-06-10)
© 2016-2024 Regents of the University of California. All rights reserved.
> open /Users/U1029809/Desktop/mIgG3Fc_Iterations/WIP.cxs
Log from Fri Dec 6 14:18:53 2024UCSF ChimeraX version: 1.8 (2024-06-10)
© 2016-2024 Regents of the University of California. All rights reserved.
> open /Users/U1029809/Desktop/mIgG3Fc_Iterations/WIP.cxs
Log from Fri Dec 6 11:36:39 2024 Startup Messages
---
note | available bundle cache has not been initialized yet
You can double click a model's Name or ID in the model panel to edit those
fields
UCSF ChimeraX version: 1.8 (2024-06-10)
© 2016-2024 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open
> /Users/U1029809/CCP4_Projects/CCP4_JOBS/job_177/177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb
Chain information for 177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1
---
Chain | Description
A B | No description available
> ui tool show Contacts
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> select add /A:329@C4
1 atom, 6 bonds, 1 residue, 1 model selected
> select add /A:329@C1
2 atoms, 6 bonds, 1 residue, 1 model selected
> select add /A:328@C4
3 atoms, 6 bonds, 2 residues, 1 model selected
> select add /A:334@C3
4 atoms, 6 bonds, 3 residues, 1 model selected
> select up
16 atoms, 7 bonds, 9 residues, 1 model selected
> select up
110 atoms, 118 bonds, 9 residues, 1 model selected
> select up
1802 atoms, 1861 bonds, 220 residues, 1 model selected
> select down
110 atoms, 118 bonds, 9 residues, 1 model selected
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> contacts sel restrict cross resSeparation 5 ignoreHiddenModels true select
> true color #feff0d name "glycan/A contacts" reveal true log true
Allowed overlap: -0.4
H-bond overlap reduction: 0.4
Ignore contacts between atoms separated by 4 bonds or less
Ignore contacts between atoms in residues less than 5 apart in sequence
Detect intra-residue contacts: False
Detect intra-molecule contacts: True
75 contacts
atom1 atom2 overlap distance
/A GAL 341 C6 /A PRO 126 O 0.708 2.592
/A NAG 340 C8 /B FUC 334 O2 0.606 2.734
/A GAL 341 C3 /A LYS 128 CE 0.499 3.261
/A MAN 331 C3 /D HOH 43 O 0.427 2.913
/A MAN 331 C5 /D HOH 43 O 0.420 2.920
/A NAG 333 C2 /D HOH 64 O 0.410 2.930
/A MAN 331 C4 /D HOH 43 O 0.401 2.939
/A NAG 328 C6 /A GLN 177 OE1 0.371 2.929
/A NAG 328 C8 /A ASN 179 ND2 0.368 3.152
/A NAG 328 N2 /A ASP 147 OD1 0.339 2.721
/A NAG 328 C8 /B LEU 117 CD1 0.313 3.447
/A NAG 340 C8 /B FUC 334 C2 0.250 3.510
/A NAG 329 C6 /A PHE 123 CZ 0.225 3.415
/A FUC 334 C6 /A ASN 179 CB 0.156 3.604
/A GAL 341 C3 /A LYS 128 NZ 0.138 3.382
/A GAL 341 C3 /A LYS 128 CD 0.121 3.639
/A NAG 329 O7 /A ARG 183 CD 0.109 3.191
/A NAG 329 C6 /A PHE 123 CE2 0.081 3.559
/A NAG 340 C8 /B NAG 329 C8 0.054 3.706
/A NAG 340 C7 /B FUC 334 O3 0.051 3.019
/A NAG 329 C8 /A ARG 183 NE 0.030 3.490
/A NAG 328 C8 /A THR 181 CG2 0.026 3.734
/A FUC 334 C6 /A GLN 177 O -0.018 3.318
/A GAL 341 O6 /A LYS 140 O -0.018 2.498
/A GAL 341 C4 /A LYS 128 CG -0.022 3.782
/A NAG 333 C6 /A THR 142 CG2 -0.035 3.795
/A NAG 329 O7 /A VAL 146 CG1 -0.037 3.337
/A NAG 329 C8 /A ARG 183 NH1 -0.046 3.566
/A MAN 332 C2 /A PHE 125 CE1 -0.047 3.687
/A GAL 341 O6 /A THR 142 CB -0.058 3.398
/A NAG 340 O7 /B FUC 334 O3 -0.060 2.540
/A NAG 333 C1 /A PHE 125 CD1 -0.063 3.703
/A GAL 341 O6 /A THR 142 OG1 -0.084 2.604
/A GAL 341 C6 /A PRO 126 C -0.087 3.577
/A MAN 332 C1 /A PHE 125 CE1 -0.090 3.730
/A NAG 340 C7 /B FUC 334 O2 -0.107 3.177
/A FUC 334 C6 /A ASN 179 N -0.128 3.648
/A BMA 330 C1 /A PHE 123 CE1 -0.139 3.779
/A NAG 333 N2 /D HOH 64 O -0.140 2.840
/A MAN 331 O4 /D HOH 43 O -0.144 2.664
/A GAL 341 C6 /A PHE 125 CB -0.145 3.905
/A MAN 332 C2 /A PHE 125 CZ -0.146 3.786
/A GAL 341 C6 /A LYS 140 O -0.155 3.455
/A BMA 330 C6 /A PHE 125 CE1 -0.158 3.798
/A BMA 330 C1 /A PHE 123 CD1 -0.162 3.802
/A NAG 340 C8 /B FUC 334 O3 -0.163 3.503
/A MAN 331 O3 /B NAG 329 C8 -0.177 3.517
/A BMA 330 C2 /A PHE 123 CE1 -0.177 3.817
/A NAG 333 C1 /A PHE 125 CE1 -0.187 3.827
/A GAL 341 C4 /A LYS 128 CE -0.203 3.963
/A FUC 334 C6 /A ASN 179 CG -0.221 3.711
/A GAL 341 O4 /A LYS 140 CB -0.225 3.565
/A NAG 329 O7 /A ARG 183 NE -0.237 2.897
/A NAG 328 C8 /A ASP 147 OD1 -0.243 3.543
/A GAL 341 C4 /A LYS 128 CD -0.248 4.008
/A GAL 341 C3 /A LYS 128 CG -0.250 4.010
/A GAL 341 C6 /A THR 142 OG1 -0.257 3.597
/A GAL 341 O3 /A LYS 128 CD -0.262 3.602
/A NAG 328 C6 /A GLN 177 CG -0.279 4.039
/A NAG 328 N2 /A ASP 147 CG -0.281 3.801
/A GAL 341 O3 /A LYS 128 CE -0.282 3.622
/A NAG 328 C8 /A ASN 179 CG -0.286 3.776
/A NAG 329 C7 /A ARG 183 NE -0.286 3.536
/A NAG 329 C4 /A PHE 123 CE2 -0.297 3.937
/A GAL 341 O6 /A LYS 140 C -0.309 3.379
/A NAG 333 C1 /D HOH 64 O -0.340 3.680
/A MAN 332 O2 /D HOH 64 O -0.340 2.860
/A BMA 330 C2 /D HOH 43 O -0.342 3.682
/A BMA 330 C3 /A PHE 123 CD1 -0.356 3.996
/A NAG 328 C6 /A GLN 177 CD -0.357 3.847
/A NAG 340 C8 /B FUC 334 C3 -0.371 4.131
/A NAG 333 C6 /A VAL 144 CG2 -0.391 4.151
/A FUC 334 C6 /A ASN 179 ND2 -0.397 3.917
/A NAG 328 C2 /A ASP 147 OD1 -0.399 3.699
/A FUC 334 C6 /A TYR 178 CB -0.400 4.160
75 contacts
> select up
267 atoms, 267 bonds, 28 residues, 1 model selected
> select down
80 atoms, 28 residues, 1 model selected
> select up
267 atoms, 267 bonds, 28 residues, 1 model selected
> select down
80 atoms, 28 residues, 1 model selected
> select up
267 atoms, 267 bonds, 28 residues, 1 model selected
> select down
80 atoms, 28 residues, 1 model selected
> select up
267 atoms, 267 bonds, 28 residues, 1 model selected
> color sel cyan
> color sel byhetero
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> select clear
> select up
75 pseudobonds, 1 model selected
No visible atoms, bonds, or surfaces selected
> select clear
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
14 atoms, 14 bonds, 1 residue, 1 model selected
> select clear
> select /A:341@C2
1 atom, 1 residue, 1 model selected
> select up
17 atoms, 8 bonds, 9 residues, 1 model selected
> select up
110 atoms, 118 bonds, 9 residues, 1 model selected
> ui tool show "Color Actions"
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> color sel wheat
> color sel khaki
> color sel pale goldenrod
> color sel peach puff
> color sel tan
> color sel burly wood
[Repeated 5 time(s)]
> color sel tan
> color sel rosy brown
> color sel tan
> color sel burly wood
> color sel tan
> color sel byhetero
> color sel orange
> color sel byhetero
> select clear
> select ::name="LYS"
288 atoms, 260 bonds, 32 residues, 1 model selected
> color sel magenta
> color sel byhetero
> undo
[Repeated 1 time(s)]
> select clear
> open 1hzh
1hzh title:
Crystal structure of the intact human igg B12 with broad and potent activity
against primary hiv-1 isolates: A template for hiv vaccine design [more
info...]
Chain information for 1hzh #2
---
Chain | Description | UniProt
H K | IMMUNOGLOBULIN HEAVY CHAIN | IGG1_HUMAN 111-478
L M | IMMUNOGLOBULIN LIGHT CHAIN,Uncharacterized protein | Q8TCD0_HUMAN 107-214
Non-standard residues in 1hzh #2
---
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)
FUC — alpha-L-fucopyranose (alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose;
L-fucose; fucose)
GAL — beta-D-galactopyranose (beta-D-galactose; D-galactose; galactose)
MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose)
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
> open 3hkf
Summary of feedback from opening 3hkf fetched from pdb
---
warnings | Unable to fetch template for 'MG': will connect using distance criteria
Unable to fetch template for 'CL': will connect using distance criteria
3hkf title:
Murine unglycosylated IgG Fc fragment [more info...]
Chain information for 3hkf #3
---
Chain | Description | UniProt
A | Igh protein | Q99LC4_MOUSE 239-450
Non-standard residues in 3hkf #3
---
CL — chloride ion
MG — magnesium ion
3hkf mmCIF Assemblies
---
1| author_and_software_defined_assembly
> open 4c54
Summary of feedback from opening 4c54 fetched from pdb
---
note | Fetching compressed mmCIF 4c54 from http://files.rcsb.org/download/4c54.cif
4c54 title:
Crystal structure of recombinant human IgG4 Fc [more info...]
Chain information for 4c54 #4
---
Chain | Description | UniProt
A B | IG GAMMA-4 CHAIN C REGION | IGHG4_HUMAN 234-447
Non-standard residues in 4c54 #4
---
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)
EDO — 1,2-ethanediol (ethylene glycol)
FUC — alpha-L-fucopyranose (alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose;
L-fucose; fucose)
MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose)
MES — 2-(N-morpholino)-ethanesulfonic acid
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
61 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.
> open 4hag
Summary of feedback from opening 4hag fetched from pdb
---
note | Fetching compressed mmCIF 4hag from http://files.rcsb.org/download/4hag.cif
4hag title:
Crystal structure of fc-fragment of human IgG2 antibody (centered crystal
form) [more info...]
Chain information for 4hag #5
---
Chain | Description | UniProt
A | Ig gamma-2 chain C region | IGHG2_HUMAN 225-447
Non-standard residues in 4hag #5
---
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)
MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose)
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
4hag mmCIF Assemblies
---
1| author_and_software_defined_assembly
> open 5vgp
Summary of feedback from opening 5vgp fetched from pdb
---
note | Fetching compressed mmCIF 5vgp from http://files.rcsb.org/download/5vgp.cif
5vgp title:
Fc fragment of human IgG1 antibody, from NIST mAb [more info...]
Chain information for 5vgp #6
---
Chain | Description | UniProt
A B | Human Fc fragment with G1F/G0F glycan | Q6PYX1_HUMAN 228-450
Non-standard residues in 5vgp #6
---
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)
FUC — alpha-L-fucopyranose (alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose;
L-fucose; fucose)
GAL — beta-D-galactopyranose (beta-D-galactose; D-galactose; galactose)
MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose)
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
> open 6D58
6d58 title:
Crystal structure of a Fc fragment of Human IgG3 [more info...]
Chain information for 6d58 #7
---
Chain | Description | UniProt
A B | Immunoglobulin heavy constant gamma 3 | IGHG3_HUMAN 234-447
Non-standard residues in 6d58 #7
---
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)
FUC — alpha-L-fucopyranose (alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose;
L-fucose; fucose)
MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose)
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
> ui tool show Matchmaker
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> matchmaker #4-7#!2-3 to #1/A pairing bs
Parameters
---
Chain pairing | bs
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 177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb, chain A (#1) with
4c54, chain B (#4), sequence alignment score = 822.7
RMSD between 194 pruned atom pairs is 1.028 angstroms; (across all 209 pairs:
1.293)
Matchmaker 177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb, chain A (#1) with
4hag, chain A (#5), sequence alignment score = 830.8
RMSD between 194 pruned atom pairs is 0.840 angstroms; (across all 208 pairs:
1.150)
Matchmaker 177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb, chain A (#1) with
5vgp, chain A (#6), sequence alignment score = 849.1
RMSD between 159 pruned atom pairs is 0.779 angstroms; (across all 209 pairs:
1.918)
Matchmaker 177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb, chain A (#1) with
6d58, chain A (#7), sequence alignment score = 849.8
RMSD between 156 pruned atom pairs is 0.774 angstroms; (across all 207 pairs:
2.038)
Matchmaker 177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb, chain A (#1) with
1hzh, chain K (#2), sequence alignment score = 856.9
RMSD between 197 pruned atom pairs is 0.810 angstroms; (across all 210 pairs:
1.057)
Matchmaker 177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb, chain A (#1) with
3hkf, chain A (#3), sequence alignment score = 782.9
RMSD between 121 pruned atom pairs is 1.031 angstroms; (across all 205 pairs:
3.103)
> save /Users/U1029809/Desktop/mIgG3Fc_Iterations/glycanANDpitch.cxs
> hide #7 models
> hide #6 models
> hide #5 models
> hide #4 models
> hide #!3 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!3 models
> hide #!3 models
> show #4 models
> hide #4 models
> show #5 models
> hide #5 models
> show #6 models
> show #7 models
> hide #6 models
> hide #7 models
> show #7 models
> hide #7 models
> show #4 models
> save /Users/U1029809/Desktop/mIgG3Fc_Iterations/glycanANDpitch.cxs
> hide #4 models
> show #5 models
> hide #5 models
> show #6 models
> hide #6 models
> select ::name="PRO"
1829 atoms, 1871 bonds, 261 residues, 7 models selected
> select ::name="GLY"
656 atoms, 501 bonds, 164 residues, 7 models selected
> select ::name="ALA"
680 atoms, 549 bonds, 136 residues, 7 models selected
> select #1/A:139
7 atoms, 7 bonds, 1 residue, 1 model selected
> show sel target ab
> select ::name="PRO"
1829 atoms, 1871 bonds, 261 residues, 7 models selected
> show #6 models
> hide #6 models
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
[Repeated 4 time(s)]
> ui tool show "Show Sequence Viewer"
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> sequence chain #1/A
Alignment identifier is 1/A
Could not find virtual screen for QCocoaScreen(0x6000004d48f0, "DELL P2722H",
QRect(792,-1080 1920x1080), dpr=1, displayId=142, <NSScreen: 0x600001695800>)
with displayId 142
> select #1/A:176
5 atoms, 4 bonds, 1 residue, 1 model selected
> select #1/A:176-182
58 atoms, 59 bonds, 7 residues, 1 model selected
> select #1/A:189
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/A:189-190
15 atoms, 15 bonds, 2 residues, 1 model selected
> select #1/A:191
9 atoms, 8 bonds, 1 residue, 1 model selected
> show #7 models
> hide #7 models
> show #6 models
> hide #6 models
> show #5 models
> open /Users/U1029809/Desktop/mIgG3Fc_Iterations/120324crystalpack.cif
Summary of feedback from opening
/Users/U1029809/Desktop/mIgG3Fc_Iterations/120324crystalpack.cif
---
warnings | Missing entity information. Treating each chain as a separate entity.
Unable to fetch template for 'NAG': will connect using distance criteria
Unable to fetch template for 'BMA': will connect using distance criteria
Unable to fetch template for 'MAN': will connect using distance criteria
Unable to fetch template for 'FUC': will connect using distance criteria
Unable to fetch template for 'CIT': will connect using distance criteria
1 messages similar to the above omitted
Missing or incomplete sequence information. Inferred polymer connectivity.
Missing entity information. Treating each chain as a separate entity.
Missing or incomplete sequence information. Inferred polymer connectivity.
Missing entity information. Treating each chain as a separate entity.
Missing or incomplete sequence information. Inferred polymer connectivity.
Missing entity information. Treating each chain as a separate entity.
Missing or incomplete sequence information. Inferred polymer connectivity.
Missing entity information. Treating each chain as a separate entity.
Missing or incomplete sequence information. Inferred polymer connectivity.
Missing entity information. Treating each chain as a separate entity.
Missing or incomplete sequence information. Inferred polymer connectivity.
Missing entity information. Treating each chain as a separate entity.
Missing or incomplete sequence information. Inferred polymer connectivity.
Missing entity information. Treating each chain as a separate entity.
Missing or incomplete sequence information. Inferred polymer connectivity.
Missing entity information. Treating each chain as a separate entity.
Missing or incomplete sequence information. Inferred polymer connectivity.
Missing entity information. Treating each chain as a separate entity.
Missing or incomplete sequence information. Inferred polymer connectivity.
Chain information for 120324crystalpack.cif
---
Chain | Description
8.1/B 8.2/B 8.3/B 8.4/B 8.5/B 8.6/B 8.7/B 8.8/B 8.9/B 8.10/B | No description available
> hide #5 models
> hide #!8 models
> select clear
> save /Users/U1029809/Desktop/mIgG3Fc_Iterations/120324glycanfix.cxs
> save /Users/U1029809/Desktop/mIgG3Fc_Iterations/120324glycanfix_contacts.cxs
> show #!8 models
> hide #!8 models
> select add #1
3708 atoms, 3758 bonds, 75 pseudobonds, 508 residues, 2 models selected
> show #!8 models
> contacts sel restrict cross resSeparation 5 intraModel false
> ignoreHiddenModels true select true color #feff0d name "glycan/A contacts"
> reveal true log true
Allowed overlap: -0.4
H-bond overlap reduction: 0.4
Ignore contacts between atoms separated by 4 bonds or less
Ignore contacts between atoms in residues less than 5 apart in sequence
Detect intra-residue contacts: False
Detect intra-molecule contacts: True
404 contacts
atom1 atom2 overlap distance
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CE3 120324crystalpack.cif #8.7/A TRP 170 CE3 1.153 2.367
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CE3 120324crystalpack.cif #8.7/A TRP 170 CZ3 1.070 2.450
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CZ3 120324crystalpack.cif #8.7/A TRP 170 CE3 1.069 2.451
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CD1 120324crystalpack.cif #8.6/A ILE 135 CD1 0.913 2.847
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CZ3 120324crystalpack.cif #8.7/A TRP 170 CZ3 0.796 2.724
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 OE1 120324crystalpack.cif #8.2/A CIT 338 O1 0.793 2.047
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O1 120324crystalpack.cif #8.4/A GLU 150 OE1 0.792 2.048
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C6 120324crystalpack.cif #8.6/A CIT 338 C1 0.696 3.064
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C1 120324crystalpack.cif #8.6/A CIT 339 C6 0.696 3.064
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CD 120324crystalpack.cif #8.2/A CIT 338 O1 0.597 2.703
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O1 120324crystalpack.cif #8.4/A GLU 150 CD 0.596 2.704
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 OE1 120324crystalpack.cif #8.2/A CIT 338 C1 0.562 2.738
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C1 120324crystalpack.cif #8.4/A GLU 150 OE1 0.561 2.739
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/D HOH 50 O 120324crystalpack.cif #8.6/D HOH 50 O 0.559 1.961
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 CD 120324crystalpack.cif #8.4/A ARG 174 NH1 0.467 3.053
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 NH1 120324crystalpack.cif #8.2/A ARG 197 CD 0.467 3.053
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 337 C5 120324crystalpack.cif #8.2/A ARG 197 NH2 0.445 3.075
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NH2 120324crystalpack.cif #8.4/A CIT 337 C5 0.445 3.075
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CD2 120324crystalpack.cif #8.7/A TRP 170 CE3 0.440 2.930
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CE3 120324crystalpack.cif #8.7/A TRP 170 CD2 0.440 2.930
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CH2 120324crystalpack.cif #8.7/A TRP 170 CE3 0.424 3.096
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CE3 120324crystalpack.cif #8.7/A TRP 170 CH2 0.424 3.096
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 318 ND1 120324crystalpack.cif #8.6/A HIS 318 ND1 0.421 2.859
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 317 CD2 120324crystalpack.cif #8.5/B MET 134 CE 0.383 3.257
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B MET 134 CE 120324crystalpack.cif #8.5/B HIS 317 CD2 0.383 3.257
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 N 120324crystalpack.cif #8.6/A ILE 135 CD1 0.382 3.138
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CD1 120324crystalpack.cif #8.6/A ILE 135 N 0.382 3.138
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CG1 120324crystalpack.cif #8.5/B ILE 135 CD1 0.381 3.379
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B ILE 135 CG1 0.380 3.380
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CD2 120324crystalpack.cif #8.7/A TRP 170 CD2 0.376 2.844
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CG1 120324crystalpack.cif #8.6/A HIS 192 CB 0.374 3.386
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 192 CB 120324crystalpack.cif #8.6/A ILE 135 CG1 0.374 3.386
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASP 151 CA 120324crystalpack.cif #8.2/A MET 196 CE 0.362 3.398
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 196 CE 120324crystalpack.cif #8.4/A ASP 151 CA 0.362 3.398
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 CG 120324crystalpack.cif #8.4/A ARG 174 NH1 0.332 3.188
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 NH1 120324crystalpack.cif #8.2/A ARG 197 CG 0.332 3.188
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B ILE 135 CA 0.315 3.445
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CA 120324crystalpack.cif #8.5/B ILE 135 CD1 0.315 3.445
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B HIS 192 ND1 0.310 3.210
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 192 ND1 120324crystalpack.cif #8.5/B ILE 135 CD1 0.310 3.210
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 OE1 120324crystalpack.cif #8.2/A CIT 338 C2 0.308 2.992
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C2 120324crystalpack.cif #8.4/A GLU 150 OE1 0.308 2.992
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O2 120324crystalpack.cif #8.6/A CIT 339 C6 0.304 2.996
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C6 120324crystalpack.cif #8.6/A CIT 338 O2 0.304 2.996
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NE 120324crystalpack.cif #8.4/A ARG 174 NH1 0.295 2.985
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 NH1 120324crystalpack.cif #8.2/A ARG 197 NE 0.295 2.985
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ASN 316 CA 120324crystalpack.cif #8.5/B MET 134 CE 0.293 3.467
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B MET 134 CE 120324crystalpack.cif #8.5/B ASN 316 CA 0.293 3.467
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C1 120324crystalpack.cif #8.6/A CIT 339 O6 0.290 3.010
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O6 120324crystalpack.cif #8.6/A CIT 338 C1 0.289 3.011
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 136 CB 120324crystalpack.cif #8.7/A GLU 150 OE2 0.283 3.017
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 OE2 120324crystalpack.cif #8.7/A SER 136 CB 0.283 3.017
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 318 ND1 120324crystalpack.cif #8.5/B HIS 318 ND1 0.267 3.013
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CB 120324crystalpack.cif #8.7/A TRP 170 CZ2 0.255 3.385
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CZ2 120324crystalpack.cif #8.7/A TRP 170 CB 0.255 3.385
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NH2 120324crystalpack.cif #8.4/A ARG 174 NH1 0.255 3.025
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 NH1 120324crystalpack.cif #8.2/A ARG 197 NH2 0.255 3.025
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CA 120324crystalpack.cif #8.6/A ILE 135 CD1 0.250 3.510
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CD1 120324crystalpack.cif #8.6/A ILE 135 CA 0.250 3.510
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B ILE 135 CD1 0.239 3.521
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 180 OG 120324crystalpack.cif #8.2/A HIS 315 CE1 0.237 2.983
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 315 CE1 120324crystalpack.cif #8.4/A SER 180 OG 0.237 2.983
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 192 CB 120324crystalpack.cif #8.5/B ILE 135 CG1 0.232 3.528
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CG1 120324crystalpack.cif #8.5/B HIS 192 CB 0.232 3.528
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 NH1 120324crystalpack.cif #8.2/A ARG 197 CZ 0.226 3.024
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 CZ 120324crystalpack.cif #8.4/A ARG 174 NH1 0.226 3.024
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/D HOH 6 O 120324crystalpack.cif #8.4/A SER 149 CB 0.216 3.124
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 149 CB 120324crystalpack.cif #8.2/D HOH 6 O 0.216 3.124
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 136 OG 120324crystalpack.cif #8.7/A GLU 150 CG 0.210 3.130
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CG 120324crystalpack.cif #8.7/A SER 136 OG 0.210 3.130
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CG1 120324crystalpack.cif #8.5/B ILE 135 CG1 0.208 3.552
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NH2 120324crystalpack.cif #8.4/A ARG 174 CZ 0.205 3.045
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 CZ 120324crystalpack.cif #8.2/A ARG 197 NH2 0.205 3.045
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 CD2 120324crystalpack.cif #8.6/A MET 134 CE 0.205 3.435
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 134 CE 120324crystalpack.cif #8.6/A HIS 317 CD2 0.205 3.435
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B LEU 133 O 120324crystalpack.cif #8.5/B ILE 135 CD1 0.197 3.103
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B LEU 133 O 0.197 3.103
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NH1 120324crystalpack.cif #8.4/A ARG 174 NE 0.196 3.084
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 NE 120324crystalpack.cif #8.2/A ARG 197 NH1 0.196 3.084
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C1 120324crystalpack.cif #8.6/A HIS 317 NE2 0.196 3.324
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 NE2 120324crystalpack.cif #8.6/A CIT 339 C1 0.196 3.324
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O1 120324crystalpack.cif #8.6/A CIT 339 C2 0.182 3.118
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C2 120324crystalpack.cif #8.6/A CIT 338 O1 0.182 3.118
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B LEU 133 C 0.173 3.317
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B LEU 133 C 120324crystalpack.cif #8.5/B ILE 135 CD1 0.173 3.317
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A PRO 173 CB 120324crystalpack.cif #8.7/A THR 138 CB 0.171 3.589
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A THR 138 CB 120324crystalpack.cif #8.7/A PRO 173 CB 0.171 3.589
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O1 120324crystalpack.cif #8.6/A CIT 339 C6 0.168 3.132
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C6 120324crystalpack.cif #8.6/A CIT 338 O1 0.168 3.132
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CB 120324crystalpack.cif #8.7/A TRP 170 CE2 0.168 3.322
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CE2 120324crystalpack.cif #8.7/A TRP 170 CB 0.168 3.322
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/D HOH 6 O 120324crystalpack.cif #8.4/A SER 149 OG 0.136 2.384
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 149 OG 120324crystalpack.cif #8.2/D HOH 6 O 0.136 2.384
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CD1 120324crystalpack.cif #8.6/A MET 134 C 0.121 3.519
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 N 120324crystalpack.cif #8.5/B ILE 135 CD1 0.121 3.399
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B ILE 135 N 0.121 3.399
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ALA 176 CB 120324crystalpack.cif #8.7/A CIT 339 O4 0.119 3.181
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O4 120324crystalpack.cif #8.7/A ALA 176 CB 0.119 3.181
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 CA 120324crystalpack.cif #8.4/A ASP 151 O 0.118 3.182
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASP 151 O 120324crystalpack.cif #8.2/A ARG 197 CA 0.118 3.182
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 CE1 120324crystalpack.cif #8.4/A GLU 150 OE1 0.114 3.066
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 OE1 120324crystalpack.cif #8.2/A HIS 317 CE1 0.114 3.066
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 196 CE 120324crystalpack.cif #8.4/A GLU 150 CG 0.112 3.648
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CG 120324crystalpack.cif #8.2/A MET 196 CE 0.112 3.648
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 318 CD2 120324crystalpack.cif #8.5/B ASN 316 ND2 0.112 3.288
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ASN 316 ND2 120324crystalpack.cif #8.5/B HIS 318 CD2 0.111 3.289
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 196 CE 120324crystalpack.cif #8.4/A GLU 150 C 0.106 3.534
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O1 120324crystalpack.cif #8.6/A CIT 339 C1 0.104 3.196
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ASN 316 C 120324crystalpack.cif #8.5/B MET 134 CE 0.103 3.387
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C1 120324crystalpack.cif #8.6/A CIT 338 O1 0.103 3.197
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B MET 134 CE 120324crystalpack.cif #8.5/B ASN 316 C 0.102 3.388
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O5 120324crystalpack.cif #8.6/A CIT 338 C1 0.100 3.200
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C1 120324crystalpack.cif #8.6/A CIT 339 O5 0.100 3.200
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 CE1 120324crystalpack.cif #8.4/A GLU 150 CD 0.099 3.541
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CD 120324crystalpack.cif #8.2/A HIS 317 CE1 0.099 3.541
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 CD 120324crystalpack.cif #8.4/A ASP 154 OD1 0.098 3.202
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASP 154 OD1 120324crystalpack.cif #8.2/A ARG 197 CD 0.098 3.202
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 CZ 120324crystalpack.cif #8.4/A ARG 174 NE 0.096 3.154
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 NE 120324crystalpack.cif #8.2/A ARG 197 CZ 0.096 3.154
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A PRO 173 CB 120324crystalpack.cif #8.7/A THR 138 OG1 0.096 3.244
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A THR 138 OG1 120324crystalpack.cif #8.7/A PRO 173 CB 0.096 3.244
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O5 120324crystalpack.cif #8.6/A CIT 338 O2 0.091 2.749
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O2 120324crystalpack.cif #8.6/A CIT 339 O5 0.090 2.750
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C2 120324crystalpack.cif #8.6/A CIT 338 C1 0.089 3.671
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C1 120324crystalpack.cif #8.6/A CIT 339 C2 0.089 3.671
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B LYS 222 CE 120324crystalpack.cif #8.7/B ASP 283 CB 0.086 3.674
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ASP 283 CB 120324crystalpack.cif #8.7/B LYS 222 CE 0.086 3.674
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 CZ 120324crystalpack.cif #8.2/A ARG 197 CZ 0.085 3.135
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 CZ 120324crystalpack.cif #8.4/A ARG 174 CZ 0.085 3.135
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 192 CE1 120324crystalpack.cif #8.5/B ILE 135 CD1 0.080 3.560
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B HIS 192 CE1 0.079 3.561
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 180 OG 120324crystalpack.cif #8.2/A CIT 338 C5 0.077 3.263
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C5 120324crystalpack.cif #8.4/A SER 180 OG 0.076 3.264
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C1 120324crystalpack.cif #8.4/A GLU 150 CD 0.072 3.688
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CD 120324crystalpack.cif #8.2/A CIT 338 C1 0.072 3.688
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O4 120324crystalpack.cif #8.4/A SER 180 CB 0.053 3.247
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 180 CB 120324crystalpack.cif #8.2/A CIT 338 O4 0.053 3.247
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/D HOH 50 O 120324crystalpack.cif #8.6/A MET 134 CE 0.053 3.287
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 134 CE 120324crystalpack.cif #8.6/D HOH 50 O 0.052 3.288
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NH2 120324crystalpack.cif #8.4/A CIT 337 C4 0.049 3.471
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 180 CB 120324crystalpack.cif #8.2/A CIT 338 C5 0.049 3.711
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 337 C4 120324crystalpack.cif #8.2/A ARG 197 NH2 0.049 3.471
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C5 120324crystalpack.cif #8.4/A SER 180 CB 0.048 3.712
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 320 N 120324crystalpack.cif #8.6/A GLN 320 OE1 0.047 2.613
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 320 OE1 120324crystalpack.cif #8.6/A GLN 320 N 0.047 2.613
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B MET 134 C 120324crystalpack.cif #8.5/B ILE 135 CD1 0.045 3.445
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B MET 134 C 0.045 3.445
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 196 CE 120324crystalpack.cif #8.4/A ASP 151 N 0.043 3.477
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASP 151 N 120324crystalpack.cif #8.2/A MET 196 CE 0.043 3.477
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 318 O 120324crystalpack.cif #8.5/B HIS 318 CE1 0.029 3.151
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 318 CE1 120324crystalpack.cif #8.5/B HIS 318 O 0.029 3.151
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 320 CG 120324crystalpack.cif #8.6/A GLN 320 CG 0.017 3.743
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A PRO 173 CG 120324crystalpack.cif #8.7/A THR 138 CG2 0.015 3.745
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A THR 138 CG2 120324crystalpack.cif #8.7/A PRO 173 CG 0.015 3.745
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CG1 120324crystalpack.cif #8.6/A HIS 192 CG 0.009 3.481
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 192 CG 120324crystalpack.cif #8.6/A ILE 135 CG1 0.008 3.482
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 NE1 120324crystalpack.cif #8.7/A TRP 170 CB 0.004 3.516
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CB 120324crystalpack.cif #8.7/A TRP 170 NE1 0.004 3.516
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ARG 224 CD 120324crystalpack.cif #8.7/B ARG 224 CD 0.000 3.760
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O4 120324crystalpack.cif #8.4/A SER 180 OG -0.010 2.490
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 180 OG 120324crystalpack.cif #8.2/A CIT 338 O4 -0.011 2.491
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A THR 138 CB 120324crystalpack.cif #8.7/A PRO 173 CG -0.013 3.773
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A PRO 173 CG 120324crystalpack.cif #8.7/A THR 138 CB -0.013 3.773
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 318 NE2 120324crystalpack.cif #8.5/B ASN 316 ND2 -0.022 3.302
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ASN 316 ND2 120324crystalpack.cif #8.5/B HIS 318 NE2 -0.022 3.302
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 318 O 120324crystalpack.cif #8.6/A HIS 318 CE1 -0.027 3.207
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 318 CE1 120324crystalpack.cif #8.6/A HIS 318 O -0.027 3.207
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 134 C 120324crystalpack.cif #8.6/A ILE 135 CD1 -0.028 3.518
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O1 120324crystalpack.cif #8.6/A CIT 339 O6 -0.033 2.873
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O6 120324crystalpack.cif #8.6/A CIT 338 O1 -0.034 2.874
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 192 CG 120324crystalpack.cif #8.5/B ILE 135 CD1 -0.041 3.531
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B HIS 192 CG -0.042 3.532
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 C 120324crystalpack.cif #8.2/A MET 196 CE -0.045 3.535
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 CE1 120324crystalpack.cif #8.4/A GLU 150 OE2 -0.045 3.225
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 OE2 120324crystalpack.cif #8.2/A HIS 317 CE1 -0.045 3.225
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 224 NH1 120324crystalpack.cif #8.4/B LEU 117 N -0.049 3.329
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B LEU 117 N 120324crystalpack.cif #8.2/A ARG 224 NH1 -0.049 3.329
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CE2 120324crystalpack.cif #8.7/A TRP 170 CG -0.049 3.269
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CG 120324crystalpack.cif #8.7/A TRP 170 CE2 -0.049 3.269
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 192 ND1 120324crystalpack.cif #8.6/A ILE 135 CG1 -0.050 3.570
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CG1 120324crystalpack.cif #8.6/A HIS 192 ND1 -0.050 3.570
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B LYS 222 CE 120324crystalpack.cif #8.7/B ASP 283 CA -0.050 3.810
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ASP 283 CA 120324crystalpack.cif #8.7/B LYS 222 CE -0.050 3.810
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CZ3 120324crystalpack.cif #8.7/A TRP 170 CD2 -0.051 3.421
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CD2 120324crystalpack.cif #8.7/A TRP 170 CZ3 -0.051 3.421
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 317 CG 120324crystalpack.cif #8.5/B MET 134 CE -0.052 3.542
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B MET 134 CE 120324crystalpack.cif #8.5/B HIS 317 CG -0.052 3.542
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A THR 319 CA 120324crystalpack.cif #8.6/A GLN 320 OE1 -0.055 3.355
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CZ2 120324crystalpack.cif #8.7/A TRP 170 CE3 -0.055 3.575
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 320 OE1 120324crystalpack.cif #8.6/A THR 319 CA -0.055 3.355
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CE3 120324crystalpack.cif #8.7/A TRP 170 CZ2 -0.055 3.575
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 193 OE1 120324crystalpack.cif #8.6/A SER 136 CA -0.058 3.358
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 136 CA 120324crystalpack.cif #8.6/A GLN 193 OE1 -0.058 3.358
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 192 CG 120324crystalpack.cif #8.5/B ILE 135 CG1 -0.069 3.559
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CG1 120324crystalpack.cif #8.5/B HIS 192 CG -0.070 3.560
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CE2 120324crystalpack.cif #8.7/A TRP 170 CD2 -0.089 3.309
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CD2 120324crystalpack.cif #8.7/A TRP 170 CE2 -0.089 3.309
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CE2 120324crystalpack.cif #8.7/A TRP 170 CE3 -0.099 3.469
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O7 120324crystalpack.cif #8.6/A ASN 316 CA -0.099 3.439
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASN 316 CA 120324crystalpack.cif #8.6/A CIT 339 O7 -0.100 3.440
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CE3 120324crystalpack.cif #8.7/A TRP 170 CE2 -0.100 3.470
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CD1 120324crystalpack.cif #8.7/A TRP 170 CD1 -0.108 3.628
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B ILE 135 CB -0.109 3.869
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CB 120324crystalpack.cif #8.5/B ILE 135 CD1 -0.109 3.869
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 192 ND1 120324crystalpack.cif #8.6/A ILE 135 CD1 -0.112 3.632
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CD2 120324crystalpack.cif #8.7/A TRP 170 CG -0.112 3.332
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASP 151 CG 120324crystalpack.cif #8.2/D HOH 6 O -0.112 3.452
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CG 120324crystalpack.cif #8.7/A TRP 170 CD2 -0.112 3.332
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/D HOH 6 O 120324crystalpack.cif #8.4/A ASP 151 CG -0.112 3.452
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CD1 120324crystalpack.cif #8.6/A HIS 192 ND1 -0.112 3.632
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C2 120324crystalpack.cif #8.6/A HIS 317 NE2 -0.112 3.632
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 NE2 120324crystalpack.cif #8.6/A CIT 339 C2 -0.113 3.633
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 136 OG 120324crystalpack.cif #8.7/A GLU 150 CD -0.113 3.453
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CD 120324crystalpack.cif #8.7/A SER 136 OG -0.113 3.453
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A PHE 182 CE2 120324crystalpack.cif #8.7/A LEU 137 CD2 -0.113 3.753
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A LEU 137 CD2 120324crystalpack.cif #8.7/A PHE 182 CE2 -0.114 3.754
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CD1 120324crystalpack.cif #8.6/A ILE 135 CG1 -0.118 3.878
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CG1 120324crystalpack.cif #8.6/A ILE 135 CD1 -0.118 3.878
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A PRO 153 CB 120324crystalpack.cif #8.2/A ARG 197 O -0.125 3.425
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 O 120324crystalpack.cif #8.4/A PRO 153 CB -0.125 3.425
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 317 NE2 120324crystalpack.cif #8.5/B MET 134 CE -0.125 3.645
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B MET 134 CE 120324crystalpack.cif #8.5/B HIS 317 NE2 -0.125 3.645
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O3 120324crystalpack.cif #8.4/A SER 180 CB -0.135 3.435
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 180 CB 120324crystalpack.cif #8.2/A CIT 338 O3 -0.135 3.435
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 CB 120324crystalpack.cif #8.4/A PRO 153 CA -0.136 3.896
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A PRO 153 CA 120324crystalpack.cif #8.2/A ARG 197 CB -0.136 3.896
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CD 120324crystalpack.cif #8.2/A MET 196 SD -0.137 3.787
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 196 SD 120324crystalpack.cif #8.4/A GLU 150 CD -0.137 3.787
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B GLN 320 OE1 120324crystalpack.cif #8.5/B THR 319 CA -0.140 3.440
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B THR 319 CA 120324crystalpack.cif #8.5/B GLN 320 OE1 -0.140 3.440
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASP 151 OD1 120324crystalpack.cif #8.2/A MET 196 CE -0.142 3.442
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 196 CE 120324crystalpack.cif #8.4/A ASP 151 OD1 -0.142 3.442
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 CG 120324crystalpack.cif #8.2/A ARG 197 NH1 -0.145 3.665
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NH1 120324crystalpack.cif #8.4/A ARG 174 CG -0.145 3.665
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B GLN 320 CG 120324crystalpack.cif #8.5/B GLN 320 CG -0.145 3.905
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 O 120324crystalpack.cif #8.4/A PRO 153 CA -0.150 3.450
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A PRO 153 CA 120324crystalpack.cif #8.2/A ARG 197 O -0.151 3.451
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CD 120324crystalpack.cif #8.7/A SER 136 CB -0.154 3.914
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 136 CB 120324crystalpack.cif #8.7/A GLU 150 CD -0.154 3.914
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CD1 120324crystalpack.cif #8.6/A LEU 133 C -0.157 3.797
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 196 CE 120324crystalpack.cif #8.4/A GLU 150 O -0.178 3.478
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 O 120324crystalpack.cif #8.2/A MET 196 CE -0.178 3.478
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O1 120324crystalpack.cif #8.6/A CIT 339 O1 -0.181 3.021
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O1 120324crystalpack.cif #8.6/A CIT 338 O1 -0.181 3.021
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 320 OE1 120324crystalpack.cif #8.6/A GLN 320 O -0.182 3.022
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 317 N 120324crystalpack.cif #8.5/B MET 134 CE -0.182 3.702
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B MET 134 CE 120324crystalpack.cif #8.5/B HIS 317 N -0.183 3.703
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 320 O 120324crystalpack.cif #8.6/A GLN 320 OE1 -0.183 3.023
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B MET 134 N 120324crystalpack.cif #8.5/B ILE 135 CD1 -0.185 3.705
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B MET 134 N -0.185 3.705
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NH2 120324crystalpack.cif #8.4/A ARG 174 NE -0.186 3.466
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 NE 120324crystalpack.cif #8.2/A ARG 197 NH2 -0.186 3.466
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C5 120324crystalpack.cif #8.7/A ALA 176 CB -0.195 3.955
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ALA 176 CB 120324crystalpack.cif #8.7/A CIT 339 C5 -0.195 3.955
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NH2 120324crystalpack.cif #8.4/A ARG 174 NH2 -0.196 3.476
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 NH2 120324crystalpack.cif #8.2/A ARG 197 NH2 -0.197 3.477
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 196 CE 120324crystalpack.cif #8.4/A ASP 151 CG -0.200 3.960
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASP 151 CG 120324crystalpack.cif #8.2/A MET 196 CE -0.200 3.960
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C2 120324crystalpack.cif #8.6/A HIS 317 CE1 -0.205 3.845
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 CE1 120324crystalpack.cif #8.6/A CIT 339 C2 -0.206 3.846
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A LEU 133 O 120324crystalpack.cif #8.6/A ILE 135 CD1 -0.207 3.507
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CD1 120324crystalpack.cif #8.6/A LEU 133 O -0.207 3.507
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C6 120324crystalpack.cif #8.6/A CIT 338 C2 -0.209 3.969
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 CE1 120324crystalpack.cif #8.6/A CIT 339 C1 -0.209 3.849
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C1 120324crystalpack.cif #8.6/A HIS 317 CE1 -0.209 3.849
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C2 120324crystalpack.cif #8.6/A CIT 339 C6 -0.209 3.969
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C3 120324crystalpack.cif #8.6/A CIT 338 C1 -0.210 3.970
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C1 120324crystalpack.cif #8.6/A CIT 339 C3 -0.211 3.971
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O6 120324crystalpack.cif #8.7/A PHE 182 CZ -0.215 3.395
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A PHE 182 CZ 120324crystalpack.cif #8.7/A CIT 339 O6 -0.216 3.396
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B MET 134 CA 120324crystalpack.cif #8.5/B ILE 135 CD1 -0.219 3.979
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B MET 134 CA -0.220 3.980
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 134 CE 120324crystalpack.cif #8.6/A ASN 316 C -0.221 3.861
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O2 120324crystalpack.cif #8.6/A CIT 339 C2 -0.226 3.526
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C2 120324crystalpack.cif #8.6/A CIT 338 O2 -0.226 3.526
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 192 ND1 120324crystalpack.cif #8.5/B ILE 135 CG1 -0.229 3.749
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CG1 120324crystalpack.cif #8.5/B HIS 192 ND1 -0.229 3.749
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 320 OE1 120324crystalpack.cif #8.6/A THR 319 C -0.230 3.410
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 315 CD2 120324crystalpack.cif #8.6/A GLY 267 O -0.231 3.411
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLY 267 O 120324crystalpack.cif #8.6/A HIS 315 CD2 -0.231 3.411
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 NE1 120324crystalpack.cif #8.7/A TRP 170 CG -0.235 3.485
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CG 120324crystalpack.cif #8.7/A TRP 170 NE1 -0.236 3.486
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 136 CB 120324crystalpack.cif #8.7/A GLU 150 CG -0.250 4.010
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CG 120324crystalpack.cif #8.7/A SER 136 CB -0.251 4.011
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 OE2 120324crystalpack.cif #8.2/A CIT 338 O1 -0.253 3.093
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O1 120324crystalpack.cif #8.4/A GLU 150 OE2 -0.254 3.094
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C2 120324crystalpack.cif #8.4/A GLU 150 CD -0.258 4.018
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CD 120324crystalpack.cif #8.2/A CIT 338 C2 -0.258 4.018
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O2 120324crystalpack.cif #8.6/A HIS 317 CD2 -0.261 3.441
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 CD2 120324crystalpack.cif #8.6/A CIT 339 O2 -0.261 3.441
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A VAL 310 CG2 120324crystalpack.cif #8.6/A ASN 316 OD1 -0.262 3.562
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASN 316 OD1 120324crystalpack.cif #8.6/A VAL 310 CG2 -0.262 3.562
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/D HOH 3 O 120324crystalpack.cif #8.5/B GLN 193 NE2 -0.263 2.963
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B GLN 193 NE2 120324crystalpack.cif #8.5/D HOH 3 O -0.263 2.963
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B LEU 133 CA 120324crystalpack.cif #8.5/B ILE 135 CD1 -0.265 4.025
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B LEU 133 CA -0.265 4.025
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASP 162 CG 120324crystalpack.cif #8.4/A LYS 208 NZ -0.268 3.788
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A LYS 208 NZ 120324crystalpack.cif #8.2/A ASP 162 CG -0.268 3.788
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 320 OE1 120324crystalpack.cif #8.6/A GLN 320 CA -0.269 3.569
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 320 CA 120324crystalpack.cif #8.6/A GLN 320 OE1 -0.269 3.569
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASP 152 O 120324crystalpack.cif #8.2/A ARG 197 CG -0.270 3.570
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 CG 120324crystalpack.cif #8.4/A ASP 152 O -0.270 3.570
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A PRO 173 CB 120324crystalpack.cif #8.7/A THR 138 CG2 -0.271 4.031
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A THR 138 CG2 120324crystalpack.cif #8.7/A PRO 173 CB -0.271 4.031
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A LYS 140 CE 120324crystalpack.cif #8.7/A PRO 173 CG -0.271 4.031
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A PRO 173 CG 120324crystalpack.cif #8.7/A LYS 140 CE -0.271 4.031
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 196 CE 120324crystalpack.cif #8.4/A GLU 150 CD -0.272 4.032
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CD 120324crystalpack.cif #8.2/A MET 196 CE -0.272 4.032
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 192 CB 120324crystalpack.cif #8.5/B ILE 135 CD1 -0.276 4.036
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B HIS 192 CB -0.276 4.036
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CD1 120324crystalpack.cif #8.7/A TRP 170 CG -0.296 3.666
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CG 120324crystalpack.cif #8.7/A TRP 170 CD1 -0.296 3.666
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/D HOH 3 O 120324crystalpack.cif #8.5/B GLN 193 CD -0.297 3.367
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B GLN 193 CD 120324crystalpack.cif #8.5/D HOH 3 O -0.297 3.367
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O2 120324crystalpack.cif #8.6/A HIS 317 NE2 -0.301 2.961
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 NE2 120324crystalpack.cif #8.6/A CIT 339 O2 -0.301 2.961
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C2 120324crystalpack.cif #8.6/A CIT 339 O6 -0.304 3.604
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O6 120324crystalpack.cif #8.6/A CIT 338 C2 -0.304 3.604
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASP 151 CA 120324crystalpack.cif #8.2/A MET 196 O -0.306 3.606
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 196 O 120324crystalpack.cif #8.4/A ASP 151 CA -0.306 3.606
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A LEU 133 C 120324crystalpack.cif #8.6/A ILE 135 CD1 -0.307 3.797
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NH2 120324crystalpack.cif #8.4/A ASP 154 OD1 -0.308 2.968
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASP 154 OD1 120324crystalpack.cif #8.2/A ARG 197 NH2 -0.308 2.968
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CH2 120324crystalpack.cif #8.7/A TRP 170 CZ3 -0.310 3.830
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CZ3 120324crystalpack.cif #8.7/A TRP 170 CH2 -0.310 3.830
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 CZ 120324crystalpack.cif #8.2/A ARG 197 NH1 -0.311 3.561
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NH1 120324crystalpack.cif #8.4/A ARG 174 CZ -0.311 3.561
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CD1 120324crystalpack.cif #8.6/A HIS 192 CE1 -0.312 3.952
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 192 CE1 120324crystalpack.cif #8.6/A ILE 135 CD1 -0.312 3.952
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NE 120324crystalpack.cif #8.4/A ARG 174 CZ -0.314 3.564
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 CZ 120324crystalpack.cif #8.2/A ARG 197 NE -0.315 3.565
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ILE 135 CD1 120324crystalpack.cif #8.6/A HIS 192 CG -0.315 3.805
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 192 CG 120324crystalpack.cif #8.6/A ILE 135 CD1 -0.315 3.805
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 320 OE1 120324crystalpack.cif #8.6/A GLN 320 CG -0.322 3.622
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 320 CG 120324crystalpack.cif #8.6/A GLN 320 OE1 -0.322 3.622
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C1 120324crystalpack.cif #8.7/A GLU 150 OE2 -0.325 3.625
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 OE2 120324crystalpack.cif #8.7/A CIT 339 C1 -0.325 3.625
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 192 CB 120324crystalpack.cif #8.5/B ILE 135 CG2 -0.330 4.090
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CG2 120324crystalpack.cif #8.5/B HIS 192 CB -0.330 4.090
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 NE2 120324crystalpack.cif #8.4/A GLU 150 CD -0.332 3.852
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CD 120324crystalpack.cif #8.2/A HIS 317 NE2 -0.332 3.852
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 317 CB 120324crystalpack.cif #8.5/B MET 134 CE -0.332 4.092
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 318 CG 120324crystalpack.cif #8.5/B ASN 316 CB -0.332 3.822
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B MET 134 CE 120324crystalpack.cif #8.5/B HIS 317 CB -0.332 4.092
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ASN 316 CB 120324crystalpack.cif #8.5/B HIS 318 CG -0.332 3.822
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 136 CA 120324crystalpack.cif #8.6/A GLN 193 CG -0.334 4.094
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLN 193 CG 120324crystalpack.cif #8.6/A SER 136 CA -0.334 4.094
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CB 120324crystalpack.cif #8.2/A CIT 338 C2 -0.336 4.096
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A SER 180 CA 120324crystalpack.cif #8.2/A CIT 338 O3 -0.336 3.636
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 C2 120324crystalpack.cif #8.4/A GLU 150 CB -0.336 4.096
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 338 O3 120324crystalpack.cif #8.4/A SER 180 CA -0.336 3.636
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 196 CE 120324crystalpack.cif #8.4/A GLU 150 CB -0.337 4.097
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLU 150 CB 120324crystalpack.cif #8.2/A MET 196 CE -0.337 4.097
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 337 C2 120324crystalpack.cif #8.2/A ARG 197 NH2 -0.339 3.859
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NH2 120324crystalpack.cif #8.4/A CIT 337 C2 -0.339 3.859
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 CD2 120324crystalpack.cif #8.6/A CIT 339 C1 -0.345 3.985
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C1 120324crystalpack.cif #8.6/A HIS 317 CD2 -0.345 3.985
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A LEU 137 CD2 120324crystalpack.cif #8.7/A ALA 176 CB -0.348 4.108
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ALA 176 CB 120324crystalpack.cif #8.7/A LEU 137 CD2 -0.348 4.108
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A LYS 208 NZ 120324crystalpack.cif #8.2/A LYS 199 CA -0.349 3.869
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A LYS 199 CA 120324crystalpack.cif #8.4/A LYS 208 NZ -0.349 3.869
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 CD 120324crystalpack.cif #8.2/A ARG 197 NH1 -0.350 3.870
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NH1 120324crystalpack.cif #8.4/A ARG 174 CD -0.350 3.870
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 318 ND1 120324crystalpack.cif #8.6/A HIS 318 CB -0.353 3.873
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 318 CB 120324crystalpack.cif #8.6/A HIS 318 ND1 -0.353 3.873
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C2 120324crystalpack.cif #8.6/A HIS 317 CD2 -0.358 3.998
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 318 CB 120324crystalpack.cif #8.5/B HIS 318 ND1 -0.359 3.879
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 317 CD2 120324crystalpack.cif #8.6/A CIT 339 C2 -0.359 3.999
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 318 ND1 120324crystalpack.cif #8.5/B HIS 318 CB -0.359 3.879
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASP 151 CB 120324crystalpack.cif #8.2/A MET 196 CE -0.360 4.120
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 318 ND1 120324crystalpack.cif #8.6/A HIS 318 CE1 -0.360 3.760
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 196 CE 120324crystalpack.cif #8.4/A ASP 151 CB -0.360 4.120
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 318 CE1 120324crystalpack.cif #8.6/A HIS 318 ND1 -0.360 3.760
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ILE 135 CD1 120324crystalpack.cif #8.5/B HIS 192 CD2 -0.362 4.002
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 192 CD2 120324crystalpack.cif #8.5/B ILE 135 CD1 -0.362 4.002
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CH2 120324crystalpack.cif #8.7/A TRP 170 CB -0.366 4.006
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CB 120324crystalpack.cif #8.7/A TRP 170 CH2 -0.366 4.006
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASN 316 C 120324crystalpack.cif #8.6/A MET 134 CE -0.370 3.860
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASN 316 O 120324crystalpack.cif #8.6/A MET 134 CE -0.376 3.676
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A TRP 170 CG 120324crystalpack.cif #8.7/A TRP 170 CG -0.377 3.597
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 134 CE 120324crystalpack.cif #8.6/A ASN 316 O -0.377 3.677
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O7 120324crystalpack.cif #8.6/A ASN 316 N -0.377 3.077
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASN 316 N 120324crystalpack.cif #8.6/A CIT 339 O7 -0.377 3.077
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B HIS 318 CB 120324crystalpack.cif #8.5/B ASN 316 CB -0.379 4.139
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ASN 316 CB 120324crystalpack.cif #8.5/B HIS 318 CB -0.379 4.139
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A THR 319 C 120324crystalpack.cif #8.6/A GLN 320 OE1 -0.380 3.410
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A PHE 182 CZ 120324crystalpack.cif #8.7/A CIT 339 O1 -0.381 3.561
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 318 NE2 120324crystalpack.cif #8.6/A ASN 316 ND2 -0.381 3.661
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASN 316 ND2 120324crystalpack.cif #8.6/A HIS 318 NE2 -0.381 3.661
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 O1 120324crystalpack.cif #8.7/A PHE 182 CZ -0.381 3.561
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/D HOH 39 O 120324crystalpack.cif #8.7/A CIT 339 C6 -0.384 3.724
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A CIT 339 C6 120324crystalpack.cif #8.7/D HOH 39 O -0.384 3.724
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 197 NE 120324crystalpack.cif #8.4/A ARG 174 NE -0.386 3.666
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ARG 174 NE 120324crystalpack.cif #8.2/A ARG 197 NE -0.387 3.667
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A LYS 208 NZ 120324crystalpack.cif #8.2/A GLY 198 O -0.387 3.047
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A GLY 198 O 120324crystalpack.cif #8.4/A LYS 208 NZ -0.388 3.048
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASN 316 CA 120324crystalpack.cif #8.6/A MET 134 CE -0.391 4.151
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A MET 134 CE 120324crystalpack.cif #8.6/A ASN 316 CA -0.391 4.151
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B MET 134 CE 120324crystalpack.cif #8.5/B ASN 316 O -0.392 3.692
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ASN 316 O 120324crystalpack.cif #8.5/B MET 134 CE -0.392 3.692
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B ASN 316 CG 120324crystalpack.cif #8.5/B VAL 310 CG2 -0.396 3.886
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/B VAL 310 CG2 120324crystalpack.cif #8.5/B ASN 316 CG -0.396 3.886
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A ASN 316 CB 120324crystalpack.cif #8.6/A HIS 318 ND1 -0.399 3.919
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A HIS 318 ND1 120324crystalpack.cif #8.6/A ASN 316 CB -0.399 3.919
404 contacts
> select up
1003 atoms, 941 bonds, 122 residues, 6 models selected
> select add #8
37551 atoms, 35712 bonds, 5138 residues, 12 models selected
> select subtract #8
471 atoms, 452 bonds, 58 residues, 1 model selected
> hide #!8 models
> show #!8 models
> hide #!8 models
> save /Users/U1029809/Desktop/mIgG3Fc_Iterations/WIP.cxs
> show #!8 models
> hide #!8 models
> show #!8 models
> hide #!8 models
> show #4 models
> hide #4 models
> show #!3 models
> hide #!3 models
> show #7 models
> hide #7 models
> show #6 models
> hide #6 models
> show #5 models
> hide #5 models
> show #4 models
> hide #4 models
> show #!3 models
> hide #!3 models
> show #!2 models
> hide #!2 models
> show #!8 models
> hide #!8 models
> show #7 models
> hide #7 models
> show #6 models
> hide #6 models
> show #5 models
> hide #5 models
> show #4 models
> hide #4 models
> show #!3 models
> hide #!3 models
> show #!2 models
> hide #!2 models
> show #7 models
> hide #7 models
> select #1/A:139
7 atoms, 7 bonds, 1 residue, 1 model selected
> show #!8 models
> hide sel atoms
> hide #!8 models
> select #1/A:189
7 atoms, 7 bonds, 1 residue, 1 model selected
> show sel atoms
> show #!8 models
> hide #9 models
> show #9 models
> hide #9 models
> show #9 models
> hide #9 models
> show #9 models
> hide #9 models
> show #9 models
> hide #9 models
> show #9 models
> hide #9 models
> show #9 models
> hide #9 models
> hide #!8 models
> hide #!1 models
> show #!1 models
> show #9 models
> rename #9 "crystal contacts"
> hide #9 models
> show #9 models
> show #!8 models
> hide #8.10 models
> show #8.10 models
> hide #8.10 models
> show #8.10 models
> hide #8.10 models
> show #8.10 models
> hide #8.10 models
> hide #8.9 models
> show #8.9 models
> hide #8.9 models
> hide #8.8 models
> hide #8.7 models
> show #8.7 models
> hide #8.6 models
> show #8.6 models
> hide #8.5 models
> show #8.5 models
> hide #8.5 models
> show #8.5 models
> hide #8.4 models
> show #8.4 models
> hide #8.4 models
> hide #8.3 models
> hide #8.2 models
> show #8.2 models
> hide #8.2 models
> hide #8.1 models
> show #8.1 models
> hide #8.1 models
> show #8.2 models
> hide #8.2 models
> show #8.1 models
> hide #8.1 models
> hide #8.5 models
> show #8.5 models
> hide #8.6 models
> show #8.6 models
> hide #8.7 models
> show #8.7 models
> select #8.7/A:175@OE2
1 atom, 1 residue, 1 model selected
> select add #1/A:140@NZ
2 atoms, 2 residues, 2 models selected
> ui tool show Distances
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> distance #8.7/A:175@OE2 #1/A:140@NZ
Distance between 120324crystalpack.cif #8.7/A GLU 175 OE2 and
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A LYS 140 NZ: 4.912Å
> select #8.7/A:175@OE2
1 atom, 1 residue, 1 model selected
> select add #1/A:128@NZ
2 atoms, 2 residues, 2 models selected
> distance style color #ef1eff
[Repeated 2 time(s)]
> distance style color #ef1dff
[Repeated 2 time(s)]
> distance style color #ee1cff
[Repeated 2 time(s)]
> distance #8.7/A:175@OE2 #1/A:128@NZ
Distance between 120324crystalpack.cif #8.7/A GLU 175 OE2 and
177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb #1/A LYS 128 NZ: 5.254Å
> distance style color #f84aff
[Repeated 2 time(s)]
> distance style color #f542ff
[Repeated 2 time(s)]
> hide #8.7 models
> select add #8
37081 atoms, 35260 bonds, 5081 residues, 12 models selected
> select subtract #8
1 atom, 1 residue, 1 model selected
> select add #8.6
3709 atoms, 3526 bonds, 509 residues, 2 models selected
> select add #8.5
7417 atoms, 7052 bonds, 1017 residues, 3 models selected
> show sel cartoons
[Repeated 7 time(s)]
> select subtract #8.6
3709 atoms, 3526 bonds, 509 residues, 2 models selected
> select subtract #8.5
1 atom, 1 residue, 1 model selected
> select #1/A:137
8 atoms, 7 bonds, 1 residue, 1 model selected
> cview sele
> view sele; cofr center showpivot true
Expected an objects specifier or a view name or a keyword
> cview sel
> select #1/A:140
9 atoms, 8 bonds, 1 residue, 1 model selected
> cview sel
> select #1/A:150
9 atoms, 8 bonds, 1 residue, 1 model selected
> cview sel
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
[Repeated 1 time(s)]
> ui tool show "Side View"
> select #1/A:154
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/A:170
14 atoms, 15 bonds, 1 residue, 1 model selected
> select #1/A:176
5 atoms, 4 bonds, 1 residue, 1 model selected
> select ~sel & ##selected
3703 atoms, 3754 bonds, 75 pseudobonds, 507 residues, 2 models selected
> select #1/A:176
5 atoms, 4 bonds, 1 residue, 1 model selected
> select #1/A:182
11 atoms, 11 bonds, 1 residue, 1 model selected
> select #1/A:196
8 atoms, 7 bonds, 1 residue, 1 model selected
> show #8.10 models
> hide #8.10 models
> show #8.9 models
> hide #8.9 models
> show #8.8 models
> hide #8.8 models
> show #8.8 models
> hide #8.8 models
> show #8.7 models
> hide #8.7 models
> show #8.4 models
> hide #8.4 models
> show #8.4 models
> hide #8.6 models
> show #8.6 models
> hide #8.5 models
> show #8.5 models
> hide #8.4 models
> show #8.4 models
> hide #8.4 models
> select #1/A:197
11 atoms, 10 bonds, 1 residue, 1 model selected
> cview sel
> select #1/A:224
11 atoms, 10 bonds, 1 residue, 1 model selected
> cview sel
> show #8.4 models
> hide #8.4 models
> show #8.7 models
> show #!3 models
> hide #!8 models
> hide #!3 models
> show #!3 models
> open /Users/U1029809/Desktop/mIgG3Fc_Iterations/mIgG1Fc_unglycosylated.cif
Summary of feedback from opening
/Users/U1029809/Desktop/mIgG3Fc_Iterations/mIgG1Fc_unglycosylated.cif
---
warnings | Unknown polymer entity '1' on line 36
Unable to fetch template for 'MG': will connect using distance criteria
Unable to fetch template for 'CL': will connect using distance criteria
Missing or incomplete sequence information. Inferred polymer connectivity.
Unknown polymer entity '1' on line 1842
Chain information for mIgG1Fc_unglycosylated.cif
---
Chain | Description
11.1/A | No description available
Drag select of 1718 atoms, 205 residues, 1496 bonds
> show sel cartoons
[Repeated 2 time(s)]
> close #11
> open /Users/U1029809/Desktop/mIgG3Fc_Iterations/mIgG1Fc_unglycos.pdb
Chain information for mIgG1Fc_unglycos.pdb #11
---
Chain | Description
A | No description available
A | No description available
> select clear
[Repeated 2 time(s)]Drag select of 2 pseudobonds
> select up
123 pseudobonds, 1 model selected
> select up
127 pseudobonds, 2 models selected
> select down
123 pseudobonds, 1 model selected
> select up
127 pseudobonds, 2 models selected
> select up
3422 atoms, 3390 bonds, 127 pseudobonds, 538 residues, 3 models selected
> select down
127 pseudobonds, 2 models selected
> cartoon suppressBackboneDisplay false
Window position QRect(-1260,390 600x300) outside any known screen, using
primary screen
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
No visible atoms or bonds selected
> hide #!1,3,11 cartoons
[Repeated 1 time(s)]
> show #!1,3,11 cartoons
> hide #!1,3,11 atoms
> show #!1,3,11 atoms
> hide #!1,3,11 atoms
> select clear
> matchmaker #!11 to #1/A pairing bs
Parameters
---
Chain pairing | bs
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 177_migg3_fc_p1g5_xyzout_prosmart_refmac.pdb, chain A (#1) with
mIgG1Fc_unglycos.pdb, chain A (#11), sequence alignment score = 778.8
RMSD between 121 pruned atom pairs is 1.031 angstroms; (across all 205 pairs:
3.103)
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> hide #!11 models
> show #!11 models
> open
> /Users/U1029809/Desktop/mIgG3Fc_Iterations/mIgG1Fc_unglycos_crystalpack.pdb
Chain information for mIgG1Fc_unglycos_crystalpack.pdb #12
---
Chain | Description
A | No description available
> open /Users/U1029809/Desktop/mIgG3Fc_Iterations/mIgG1Fc_unglycos.pdb
Chain information for mIgG1Fc_unglycos.pdb #13
---
Chain | Description
A | No description available
A | No description available
> hide #!11 models
> show #!11 models
> hide #!11 models
> hide #10.1 models
> hide #!10 models
> hide #9 models
> hide #8.7 models
> show #8.7 models
> hide #!8 models
> hide #!1 models
> hide #!12 models
> show #!12 models
> select add #12
59885 atoms, 59325 bonds, 2272 pseudobonds, 9415 residues, 3 models selected
> show sel cartoons
> hide sel surfaces
> hide sel atoms
> select subtract #12
Nothing selected
> select add #13
3422 atoms, 3390 bonds, 127 pseudobonds, 538 residues, 3 models selected
> hide sel atoms
[Repeated 1 time(s)]
> show sel cartoons
> undo
[Repeated 2 time(s)]
> select subtract #13
Nothing selected
> select add #13
3422 atoms, 3390 bonds, 127 pseudobonds, 538 residues, 3 models selected
> show sel cartoons
[Repeated 5 time(s)]
> show sel atoms
> hide sel atoms
> select clear
> select up
123 pseudobonds, 1 model selected
> select up
127 pseudobonds, 2 models selected
> select up
3422 atoms, 3390 bonds, 127 pseudobonds, 538 residues, 3 models selected
> select down
127 pseudobonds, 2 models selected
> cartoon suppressBackboneDisplay false
[Repeated 1 time(s)]
> select up
3422 atoms, 3390 bonds, 127 pseudobonds, 538 residues, 3 models selected
> select down
127 pseudobonds, 2 models selected
> hide #!12-13 cartoons
> show #!12-13 cartoons
Drag select of 227 residues
> select up
2975 atoms, 2782 bonds, 596 residues, 1 model selected
> select up
11781 atoms, 11865 bonds, 1687 residues, 1 model selected
> select up
12213 atoms, 11913 bonds, 2074 residues, 1 model selected
> select down
11781 atoms, 11865 bonds, 1687 residues, 1 model selected
> select down
2975 atoms, 2782 bonds, 596 residues, 1 model selected
> select up
11781 atoms, 11865 bonds, 1687 residues, 1 model selected
> select clear
> select add #12/A:307
210 atoms, 175 bonds, 35 residues, 1 model selected
> select clear
> select #12/A:308
315 atoms, 280 bonds, 35 residues, 1 model selected
> select clear
> open
> /Users/U1029809/Desktop/mIgG3Fc_Iterations/mIgG3Fc111824-refmac5_5050_2spiral.pdb
Chain information for mIgG3Fc111824-refmac5_5050_2spiral.pdb #14
---
Chain | Description
A | No description available
B | No description available
> hide #!14 models
> show #!14 models
> select add #14
77658 atoms, 78687 bonds, 21 pseudobonds, 10563 residues, 2 models selected
> hide sel cartoons
> show sel cartoons
> hide sel atoms
> select clear
> matchmaker #!14 to #12/A pairing bs
Parameters
---
Chain pairing | bs
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 mIgG1Fc_unglycos_crystalpack.pdb, chain A (#12) with
mIgG3Fc111824-refmac5_5050_2spiral.pdb, chain B (#14), sequence alignment
score = 15201.9
RMSD between 5 pruned atom pairs is 1.105 angstroms; (across all 4305 pairs:
95.437)
> hide #!14 models
> show #!14 models
> hide #!12 models
> show #!12 models
> hide #!12 models
> show #!12 models
> hide #!14 models
> show #!14 models
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
[Repeated 1 time(s)]
> close #14
> open
> /Users/U1029809/Desktop/mIgG3Fc_Iterations/mIgG3Fc111824-refmac5_5050_2spiral.pdb
Chain information for mIgG3Fc111824-refmac5_5050_2spiral.pdb #14
---
Chain | Description
A | No description available
B | No description available
> select add #14
77658 atoms, 78687 bonds, 21 pseudobonds, 10563 residues, 2 models selected
> show sel cartoons
> hide sel atoms
> select clear
> select #12/A:444
280 atoms, 245 bonds, 35 residues, 1 model selected
> select add #12/A:337
595 atoms, 525 bonds, 70 residues, 1 model selected
> select subtract #12/A:337
280 atoms, 245 bonds, 35 residues, 1 model selected
> select add #12/A:445
490 atoms, 420 bonds, 70 residues, 1 model selected
> select add #12/A:443
700 atoms, 595 bonds, 105 residues, 1 model selected
> select clear
> select #12/A:443
210 atoms, 175 bonds, 35 residues, 1 model selected
> select add #12/A:444
490 atoms, 420 bonds, 70 residues, 1 model selected
> select add #12/A:445
700 atoms, 595 bonds, 105 residues, 1 model selected
> hide #!14 models
> show #!14 models
> hide #!14 models
> show #!14 models
> save /Users/U1029809/Desktop/mIgG3Fc_Iterations/WIP.cxs
> select clear
> select add #12
59885 atoms, 59325 bonds, 2272 pseudobonds, 9415 residues, 3 models selected
> select subtract #12
Nothing selected
> select add #13
3422 atoms, 3390 bonds, 127 pseudobonds, 538 residues, 3 models selected
> ui tool show "Show Sequence Viewer"
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> sequence chain #1/A
Destroying pre-existing alignment with identifier 1/A
Alignment identifier is 1/A
Could not find virtual screen for QCocoaScreen(0x6000004d48f0, "DELL P2722H",
QRect(792,-1080 1920x1080), dpr=1, displayId=142, <NSScreen: 0x6000016a0f60>)
with displayId 142
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
[Repeated 1 time(s)]
> hide #!12 models
> hide #!13 models
> select subtract #13
Nothing selected
> hide #!14 models
> show #!1 models
> select #1/A:234
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/A:234-237
32 atoms, 34 bonds, 4 residues, 1 model selected
> select #1/A:188-189
15 atoms, 15 bonds, 2 residues, 1 model selected
> select #1/A:188-190
23 atoms, 23 bonds, 3 residues, 1 model selected
> select #1/A:139
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/A:139-141
23 atoms, 23 bonds, 3 residues, 1 model selected
> select #1/A:137
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/A:137
8 atoms, 7 bonds, 1 residue, 1 model selected
> open /Users/U1029809/Desktop/mIgG3Fc_Iterations/hIgG1-b12_1HZH.pdb
Chain information for hIgG1-b12_1HZH.pdb #15
---
Chain | Description
H K | No description available
L M | No description available
> open
> /Users/U1029809/Desktop/mIgG3Fc_Iterations/hIgG1-b12_crystal_lattice.pdb
Summary of feedback from opening
/Users/U1029809/Desktop/mIgG3Fc_Iterations/hIgG1-b12_crystal_lattice.pdb
---
warnings | Duplicate atom serial number found: 99999
Duplicate atom serial number found: 99999
Duplicate atom serial number found: 99999
Duplicate atom serial number found: 99999
Duplicate atom serial number found: 99999
283288 messages similar to the above omitted
CONECT record from atom to itself: 14914
CONECT record from atom to itself: 18118
CONECT record from atom to itself: 26626
CONECT record from atom to itself: 29829
Chain information for hIgG1-b12_crystal_lattice.pdb #16
---
Chain | Description
H | No description available
K | No description available
L M | No description available
> hide #!16 models
> show #!16 models
> hide #!16 models
> open /Users/U1029809/Desktop/mIgG3Fc_Iterations/hIgG1-b12_hexamer.pdb
Chain information for hIgG1-b12_hexamer.pdb #17
---
Chain | Description
H | No description available
K | No description available
L M | No description available
> select add #17
53243 atoms, 54317 bonds, 10 pseudobonds, 7101 residues, 3 models selected
> close #16-17
> open /Users/U1029809/Desktop/mIgG3Fc_Iterations/hIgG1-b12_hexamer.pdb
Chain information for hIgG1-b12_hexamer.pdb #16
---
Chain | Description
H | No description available
K | No description available
L M | No description available
> select add #16
53243 atoms, 54317 bonds, 10 pseudobonds, 7101 residues, 3 models selected
> show sel cartoons
> hide sel surfaces
> hide sel atoms
> select subtract #16
8 atoms, 7 bonds, 1 residue, 1 model selected
> open
> /Users/U1029809/Desktop/mIgG3Fc_Iterations/hIgG1-b12_crystal_lattice.pdb
Summary of feedback from opening
/Users/U1029809/Desktop/mIgG3Fc_Iterations/hIgG1-b12_crystal_lattice.pdb
---
warnings | Duplicate atom serial number found: 99999
Duplicate atom serial number found: 99999
Duplicate atom serial number found: 99999
Duplicate atom serial number found: 99999
Duplicate atom serial number found: 99999
283288 messages similar to the above omitted
CONECT record from atom to itself: 14914
CONECT record from atom to itself: 18118
CONECT record from atom to itself: 26626
CONECT record from atom to itself: 29829
Chain information for hIgG1-b12_crystal_lattice.pdb #17
---
Chain | Description
H | No description available
K | No description available
L M | No description available
> select add #17
383300 atoms, 390962 bonds, 17222 pseudobonds, 51121 residues, 3 models
selected
> hide sel cartoons
> show sel cartoons
> hide sel atoms
> select clear
[Repeated 2 time(s)]
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> select clear
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> select clear
[Repeated 1 time(s)]
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> select clear
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> select clear
[Repeated 2 time(s)]
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> select up
17222 pseudobonds, 1 model selected
> select up
383292 atoms, 390955 bonds, 17222 pseudobonds, 51120 residues, 2 models
selected
> select down
17222 pseudobonds, 1 model selected
> select up
383292 atoms, 390955 bonds, 17222 pseudobonds, 51120 residues, 2 models
selected
> select down
17222 pseudobonds, 1 model selected
> cartoon suppressBackboneDisplay false
> select add #17
383292 atoms, 390955 bonds, 17222 pseudobonds, 51120 residues, 2 models
selected
> select subtract #17
Nothing selected
> select add #17
383292 atoms, 390955 bonds, 17222 pseudobonds, 51120 residues, 2 models
selected
> select subtract #17
Nothing selected
> hide #!17 models
> show #!17 models
> hide #!17 models
> show #!17 models
> hide #!17 models
> show #!17 models
> hide #!16 models
> show #!16 models
> hide #!17 models
> show #!17 models
> hide #!17 models
> show #!17 models
> hide #!17 models
> show #!17 models
> hide #!17 models
> show #!17 models
> hide #!17 models
> show #!17 models
> hide #!17 models
> show #!17 models
> hide #!17 models
> show #!17 models
> hide #!17 models
> show #!17 models
> hide #!17 models
> show #!17 models
> hide #!17 models
> select add #15
10647 atoms, 10877 bonds, 2 pseudobonds, 1420 residues, 2 models selected
> contacts sel restrict cross resSeparation 5 intraModel false
> ignoreHiddenModels true select true color #feff0d name 1HZHcontacts reveal
> true log true
Allowed overlap: -0.4
H-bond overlap reduction: 0.4
Ignore contacts between atoms separated by 4 bonds or less
Ignore contacts between atoms in residues less than 5 apart in sequence
Detect intra-residue contacts: False
Detect intra-molecule contacts: True
118 contacts
atom1 atom2 overlap distance
hIgG1-b12_1HZH.pdb #15/H ILE 266 CB hIgG1-b12_hexamer.pdb #16/H ILE 266 CB 1.082 2.678
hIgG1-b12_1HZH.pdb #15/K TYR 467 CD1 hIgG1-b12_hexamer.pdb #16/K TYR 467 CD1 0.703 2.817
hIgG1-b12_1HZH.pdb #15/K ILE 266 CD1 hIgG1-b12_hexamer.pdb #16/K THR 263 O 0.614 2.686
hIgG1-b12_1HZH.pdb #15/K THR 263 O hIgG1-b12_hexamer.pdb #16/K ILE 266 CD1 0.613 2.687
hIgG1-b12_1HZH.pdb #15/K ILE 266 CD1 hIgG1-b12_hexamer.pdb #16/K LEU 264 CA 0.484 3.276
hIgG1-b12_1HZH.pdb #15/K LEU 264 CA hIgG1-b12_hexamer.pdb #16/K ILE 266 CD1 0.484 3.276
hIgG1-b12_1HZH.pdb #15/H ILE 266 CA hIgG1-b12_hexamer.pdb #16/H ILE 266 CB 0.441 3.319
hIgG1-b12_1HZH.pdb #15/H ILE 266 CB hIgG1-b12_hexamer.pdb #16/H ILE 266 CA 0.441 3.319
hIgG1-b12_1HZH.pdb #15/K ILE 266 CD1 hIgG1-b12_hexamer.pdb #16/K LEU 333 CD1 0.354 3.406
hIgG1-b12_1HZH.pdb #15/K LEU 333 CD1 hIgG1-b12_hexamer.pdb #16/K ILE 266 CD1 0.353 3.407
hIgG1-b12_1HZH.pdb #15/K LEU 264 CD2 hIgG1-b12_hexamer.pdb #16/K ILE 266 CD1 0.295 3.465
hIgG1-b12_1HZH.pdb #15/K ILE 266 CD1 hIgG1-b12_hexamer.pdb #16/K LEU 264 CD2 0.295 3.465
hIgG1-b12_1HZH.pdb #15/H PRO 415 CB hIgG1-b12_hexamer.pdb #16/H HIS 464 CE1 0.294 3.346
hIgG1-b12_1HZH.pdb #15/H HIS 464 CE1 hIgG1-b12_hexamer.pdb #16/H PRO 415 CB 0.294 3.346
hIgG1-b12_1HZH.pdb #15/H ILE 266 CG1 hIgG1-b12_hexamer.pdb #16/H ILE 266 CB 0.279 3.481
hIgG1-b12_1HZH.pdb #15/H ILE 266 CB hIgG1-b12_hexamer.pdb #16/H ILE 266 CG1 0.279 3.481
hIgG1-b12_1HZH.pdb #15/K HIS 466 CE1 hIgG1-b12_hexamer.pdb #16/K SER 267 CB 0.274 3.366
hIgG1-b12_1HZH.pdb #15/K SER 267 CB hIgG1-b12_hexamer.pdb #16/K HIS 466 CE1 0.274 3.366
hIgG1-b12_1HZH.pdb #15/H TYR 467 CD1 hIgG1-b12_hexamer.pdb #16/H TYR 467 CD1 0.229 3.291
hIgG1-b12_1HZH.pdb #15/H LEU 264 O hIgG1-b12_hexamer.pdb #16/H ILE 266 CG2 0.191 3.109
hIgG1-b12_1HZH.pdb #15/H ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/H LEU 264 O 0.191 3.109
hIgG1-b12_1HZH.pdb #15/H HIS 464 CB hIgG1-b12_hexamer.pdb #16/H GLY 411 O 0.184 3.116
hIgG1-b12_1HZH.pdb #15/H GLY 411 O hIgG1-b12_hexamer.pdb #16/H HIS 464 CB 0.184 3.116
hIgG1-b12_1HZH.pdb #15/H GLU 405 OE2 hIgG1-b12_hexamer.pdb #16/H HIS 464 NE2 0.184 2.476
hIgG1-b12_1HZH.pdb #15/H HIS 464 NE2 hIgG1-b12_hexamer.pdb #16/H GLU 405 OE2 0.184 2.476
hIgG1-b12_1HZH.pdb #15/H TYR 467 CD1 hIgG1-b12_hexamer.pdb #16/H TYR 467 CE1 0.177 3.343
hIgG1-b12_1HZH.pdb #15/H TYR 467 CE1 hIgG1-b12_hexamer.pdb #16/H TYR 467 CD1 0.177 3.343
hIgG1-b12_1HZH.pdb #15/K HIS 466 CE1 hIgG1-b12_hexamer.pdb #16/K SER 267 OG 0.177 3.043
hIgG1-b12_1HZH.pdb #15/K SER 267 OG hIgG1-b12_hexamer.pdb #16/K HIS 466 CE1 0.176 3.044
hIgG1-b12_1HZH.pdb #15/H LYS 261 NZ hIgG1-b12_hexamer.pdb #16/H ASN 465 ND2 0.129 3.151
hIgG1-b12_1HZH.pdb #15/H ASN 465 ND2 hIgG1-b12_hexamer.pdb #16/H LYS 261 NZ 0.129 3.151
hIgG1-b12_1HZH.pdb #15/H ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/H ILE 266 CB 0.125 3.635
hIgG1-b12_1HZH.pdb #15/H ILE 266 CB hIgG1-b12_hexamer.pdb #16/H ILE 266 CG2 0.125 3.635
hIgG1-b12_1HZH.pdb #15/H GLU 407 OE1 hIgG1-b12_hexamer.pdb #16/H HIS 464 CD2 0.109 3.071
hIgG1-b12_1HZH.pdb #15/H HIS 464 CD2 hIgG1-b12_hexamer.pdb #16/H GLU 407 OE1 0.109 3.071
hIgG1-b12_1HZH.pdb #15/H ASN 465 ND2 hIgG1-b12_hexamer.pdb #16/H LYS 261 CE 0.073 3.447
hIgG1-b12_1HZH.pdb #15/H LYS 261 CE hIgG1-b12_hexamer.pdb #16/H ASN 465 ND2 0.073 3.447
hIgG1-b12_1HZH.pdb #15/K TYR 467 CD1 hIgG1-b12_hexamer.pdb #16/K TYR 467 CE1 0.063 3.457
hIgG1-b12_1HZH.pdb #15/K TYR 467 CE1 hIgG1-b12_hexamer.pdb #16/K TYR 467 CD1 0.063 3.457
hIgG1-b12_1HZH.pdb #15/K ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/K ILE 266 CG2 0.059 3.701
hIgG1-b12_1HZH.pdb #15/H ILE 266 CD1 hIgG1-b12_hexamer.pdb #16/H HIS 329 CB 0.056 3.704
hIgG1-b12_1HZH.pdb #15/H HIS 329 CB hIgG1-b12_hexamer.pdb #16/H ILE 266 CD1 0.056 3.704
hIgG1-b12_1HZH.pdb #15/K HIS 464 CE1 hIgG1-b12_hexamer.pdb #16/K HOH 505 O 0.024 3.196
hIgG1-b12_1HZH.pdb #15/K HOH 505 O hIgG1-b12_hexamer.pdb #16/K HIS 464 CE1 0.024 3.196
hIgG1-b12_1HZH.pdb #15/K HIS 329 CD2 hIgG1-b12_hexamer.pdb #16/K ILE 266 CG2 0.023 3.617
hIgG1-b12_1HZH.pdb #15/K ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/K HIS 329 CD2 0.022 3.618
hIgG1-b12_1HZH.pdb #15/H ILE 266 N hIgG1-b12_hexamer.pdb #16/H ILE 266 CB 0.012 3.508
hIgG1-b12_1HZH.pdb #15/H ILE 266 CB hIgG1-b12_hexamer.pdb #16/H ILE 266 N 0.012 3.508
hIgG1-b12_1HZH.pdb #15/H ILE 266 CG1 hIgG1-b12_hexamer.pdb #16/H ILE 266 CA 0.007 3.753
hIgG1-b12_1HZH.pdb #15/H ILE 266 CA hIgG1-b12_hexamer.pdb #16/H ILE 266 CG1 0.007 3.753
hIgG1-b12_1HZH.pdb #15/K ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/K ILE 266 N -0.009 3.529
hIgG1-b12_1HZH.pdb #15/K ILE 266 N hIgG1-b12_hexamer.pdb #16/K ILE 266 CG2 -0.009 3.529
hIgG1-b12_1HZH.pdb #15/H ILE 266 N hIgG1-b12_hexamer.pdb #16/H ILE 266 CG2 -0.017 3.537
hIgG1-b12_1HZH.pdb #15/H ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/H ILE 266 N -0.017 3.537
hIgG1-b12_1HZH.pdb #15/K ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/K MET 265 C -0.023 3.513
hIgG1-b12_1HZH.pdb #15/K MET 265 C hIgG1-b12_hexamer.pdb #16/K ILE 266 CG2 -0.023 3.513
hIgG1-b12_1HZH.pdb #15/K ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/K LEU 264 C -0.048 3.538
hIgG1-b12_1HZH.pdb #15/K LEU 264 C hIgG1-b12_hexamer.pdb #16/K ILE 266 CG2 -0.049 3.539
hIgG1-b12_1HZH.pdb #15/H HIS 464 CE1 hIgG1-b12_hexamer.pdb #16/H PRO 415 CG -0.067 3.707
hIgG1-b12_1HZH.pdb #15/H PRO 415 CG hIgG1-b12_hexamer.pdb #16/H HIS 464 CE1 -0.067 3.707
hIgG1-b12_1HZH.pdb #15/K ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/K LEU 264 O -0.105 3.405
hIgG1-b12_1HZH.pdb #15/K LEU 264 O hIgG1-b12_hexamer.pdb #16/K ILE 266 CG2 -0.105 3.405
hIgG1-b12_1HZH.pdb #15/H PRO 415 CD hIgG1-b12_hexamer.pdb #16/H HIS 464 CE1 -0.108 3.748
hIgG1-b12_1HZH.pdb #15/H HIS 464 CE1 hIgG1-b12_hexamer.pdb #16/H PRO 415 CD -0.108 3.748
hIgG1-b12_1HZH.pdb #15/H ILE 266 CG1 hIgG1-b12_hexamer.pdb #16/H ILE 266 CG1 -0.120 3.880
hIgG1-b12_1HZH.pdb #15/K TYR 467 CG hIgG1-b12_hexamer.pdb #16/K TYR 467 CD1 -0.149 3.519
hIgG1-b12_1HZH.pdb #15/K TYR 467 CD1 hIgG1-b12_hexamer.pdb #16/K TYR 467 CG -0.149 3.519
hIgG1-b12_1HZH.pdb #15/K ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/K ILE 266 CA -0.162 3.922
hIgG1-b12_1HZH.pdb #15/K ILE 266 CA hIgG1-b12_hexamer.pdb #16/K ILE 266 CG2 -0.162 3.922
hIgG1-b12_1HZH.pdb #15/H HIS 464 CE1 hIgG1-b12_hexamer.pdb #16/H GLU 405 OE2 -0.177 3.357
hIgG1-b12_1HZH.pdb #15/H GLU 405 OE2 hIgG1-b12_hexamer.pdb #16/H HIS 464 CE1 -0.177 3.357
hIgG1-b12_1HZH.pdb #15/K TYR 467 CB hIgG1-b12_hexamer.pdb #16/K TYR 467 CD1 -0.179 3.819
hIgG1-b12_1HZH.pdb #15/K TYR 467 CD1 hIgG1-b12_hexamer.pdb #16/K TYR 467 CB -0.179 3.819
hIgG1-b12_1HZH.pdb #15/K ILE 266 CD1 hIgG1-b12_hexamer.pdb #16/K THR 263 C -0.181 3.671
hIgG1-b12_1HZH.pdb #15/K HIS 464 NE2 hIgG1-b12_hexamer.pdb #16/K PRO 415 CB -0.181 3.701
hIgG1-b12_1HZH.pdb #15/K THR 263 C hIgG1-b12_hexamer.pdb #16/K ILE 266 CD1 -0.181 3.671
hIgG1-b12_1HZH.pdb #15/K PRO 415 CB hIgG1-b12_hexamer.pdb #16/K HIS 464 NE2 -0.182 3.702
hIgG1-b12_1HZH.pdb #15/H GLU 405 CD hIgG1-b12_hexamer.pdb #16/H HIS 464 NE2 -0.182 3.702
hIgG1-b12_1HZH.pdb #15/H HIS 464 NE2 hIgG1-b12_hexamer.pdb #16/H GLU 405 CD -0.182 3.702
hIgG1-b12_1HZH.pdb #15/H PRO 415 CB hIgG1-b12_hexamer.pdb #16/H HIS 464 NE2 -0.193 3.713
hIgG1-b12_1HZH.pdb #15/H HIS 464 NE2 hIgG1-b12_hexamer.pdb #16/H PRO 415 CB -0.193 3.713
hIgG1-b12_1HZH.pdb #15/K ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/K MET 265 CA -0.195 3.955
hIgG1-b12_1HZH.pdb #15/K MET 265 CA hIgG1-b12_hexamer.pdb #16/K ILE 266 CG2 -0.196 3.956
hIgG1-b12_1HZH.pdb #15/H ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/H ILE 266 CA -0.196 3.956
hIgG1-b12_1HZH.pdb #15/H ILE 266 CA hIgG1-b12_hexamer.pdb #16/H ILE 266 CG2 -0.196 3.956
hIgG1-b12_1HZH.pdb #15/K ILE 266 O hIgG1-b12_hexamer.pdb #16/K GLN 330 NE2 -0.209 2.869
hIgG1-b12_1HZH.pdb #15/K GLN 330 NE2 hIgG1-b12_hexamer.pdb #16/K ILE 266 O -0.209 2.869
hIgG1-b12_1HZH.pdb #15/K PRO 415 CD hIgG1-b12_hexamer.pdb #16/K HIS 464 CD2 -0.229 3.869
hIgG1-b12_1HZH.pdb #15/K HIS 464 CD2 hIgG1-b12_hexamer.pdb #16/K PRO 415 CD -0.230 3.870
hIgG1-b12_1HZH.pdb #15/K ILE 266 O hIgG1-b12_hexamer.pdb #16/K GLN 330 CG -0.232 3.532
hIgG1-b12_1HZH.pdb #15/K GLN 330 CG hIgG1-b12_hexamer.pdb #16/K ILE 266 O -0.232 3.532
hIgG1-b12_1HZH.pdb #15/K ILE 266 CB hIgG1-b12_hexamer.pdb #16/K HIS 329 CB -0.237 3.997
hIgG1-b12_1HZH.pdb #15/K HIS 329 CB hIgG1-b12_hexamer.pdb #16/K ILE 266 CB -0.238 3.998
hIgG1-b12_1HZH.pdb #15/H HIS 464 ND1 hIgG1-b12_hexamer.pdb #16/H PRO 415 CD -0.251 3.771
hIgG1-b12_1HZH.pdb #15/H PRO 415 CD hIgG1-b12_hexamer.pdb #16/H HIS 464 ND1 -0.251 3.771
hIgG1-b12_1HZH.pdb #15/K ILE 266 CG2 hIgG1-b12_hexamer.pdb #16/K MET 265 N -0.294 3.814
hIgG1-b12_1HZH.pdb #15/K MET 265 N hIgG1-b12_hexamer.pdb #16/K ILE 266 CG2 -0.294 3.814
hIgG1-b12_1HZH.pdb #15/H GLU 407 CD hIgG1-b12_hexamer.pdb #16/H HIS 464 CD2 -0.295 3.935
hIgG1-b12_1HZH.pdb #15/H HIS 464 CD2 hIgG1-b12_hexamer.pdb #16/H GLU 407 CD -0.295 3.935
hIgG1-b12_1HZH.pdb #15/H ILE 266 CD1 hIgG1-b12_hexamer.pdb #16/H HIS 329 CG -0.295 3.785
hIgG1-b12_1HZH.pdb #15/H HIS 329 CG hIgG1-b12_hexamer.pdb #16/H ILE 266 CD1 -0.295 3.785
hIgG1-b12_1HZH.pdb #15/K ILE 266 CD1 hIgG1-b12_hexamer.pdb #16/K LEU 264 C -0.301 3.791
hIgG1-b12_1HZH.pdb #15/K LEU 264 C hIgG1-b12_hexamer.pdb #16/K ILE 266 CD1 -0.301 3.791
hIgG1-b12_1HZH.pdb #15/K HIS 464 CE1 hIgG1-b12_hexamer.pdb #16/K GLU 405 OE1 -0.307 3.487
hIgG1-b12_1HZH.pdb #15/K GLU 405 OE1 hIgG1-b12_hexamer.pdb #16/K HIS 464 CE1 -0.307 3.487
hIgG1-b12_1HZH.pdb #15/H GLU 405 OE2 hIgG1-b12_hexamer.pdb #16/H HIS 464 CD2 -0.327 3.507
hIgG1-b12_1HZH.pdb #15/H HIS 464 CD2 hIgG1-b12_hexamer.pdb #16/H GLU 405 OE2 -0.327 3.507
hIgG1-b12_1HZH.pdb #15/K TYR 467 CB hIgG1-b12_hexamer.pdb #16/K TYR 467 CE1 -0.333 3.973
hIgG1-b12_1HZH.pdb #15/K TYR 467 CE1 hIgG1-b12_hexamer.pdb #16/K TYR 467 CB -0.333 3.973
hIgG1-b12_1HZH.pdb #15/H TYR 467 CE1 hIgG1-b12_hexamer.pdb #16/H TYR 467 CE1 -0.336 3.856
hIgG1-b12_1HZH.pdb #15/K ASN 465 OD1 hIgG1-b12_hexamer.pdb #16/K GLU 405 OE1 -0.358 3.198
hIgG1-b12_1HZH.pdb #15/K GLU 405 OE1 hIgG1-b12_hexamer.pdb #16/K ASN 465 OD1 -0.358 3.198
hIgG1-b12_1HZH.pdb #15/H ILE 266 CG1 hIgG1-b12_hexamer.pdb #16/H HIS 329 CD2 -0.361 4.001
hIgG1-b12_1HZH.pdb #15/H HIS 329 CD2 hIgG1-b12_hexamer.pdb #16/H ILE 266 CG1 -0.361 4.001
hIgG1-b12_1HZH.pdb #15/K LEU 264 O hIgG1-b12_hexamer.pdb #16/K HOH 507 O -0.363 2.843
hIgG1-b12_1HZH.pdb #15/K HOH 507 O hIgG1-b12_hexamer.pdb #16/K LEU 264 O -0.363 2.843
hIgG1-b12_1HZH.pdb #15/K LEU 264 CB hIgG1-b12_hexamer.pdb #16/K ILE 266 CD1 -0.377 4.137
hIgG1-b12_1HZH.pdb #15/K ILE 266 CD1 hIgG1-b12_hexamer.pdb #16/K LEU 264 CB -0.377 4.137
118 contacts
> select up
432 atoms, 414 bonds, 54 residues, 2 models selected
> style sel stick
Changed 432 atom styles
> select add #16
53451 atoms, 54517 bonds, 10 pseudobonds, 7127 residues, 3 models selected
> select subtract #16
216 atoms, 207 bonds, 27 residues, 1 model selected
> color sel yellow
> select add #15
10647 atoms, 10877 bonds, 2 pseudobonds, 1420 residues, 2 models selected
[deleted to fit within ticket limits]
> style sel stick
Changed 70 atom styles
> color sel byhetero
> select add #1
10717 atoms, 10937 bonds, 2 pseudobonds, 1430 residues, 5 models selected
> select add #2
63882 atoms, 65187 bonds, 12 pseudobonds, 8520 residues, 10 models selected
> select subtract #2
10647 atoms, 10877 bonds, 2 pseudobonds, 1420 residues, 11 models selected
> coulombic sel
Coulombic values for hIgG1-b12_1HZH.pdb_H SES surface #1.3: minimum, -16.29,
mean -0.20, maximum 13.85
Coulombic values for hIgG1-b12_1HZH.pdb_K SES surface #1.4: minimum, -16.95,
mean -0.24, maximum 12.63
Coulombic values for hIgG1-b12_1HZH.pdb_L SES surface #1.5: minimum, -12.81,
mean 0.30, maximum 10.69
Coulombic values for hIgG1-b12_1HZH.pdb_M SES surface #1.6: minimum, -14.55,
mean 0.44, maximum 11.74
To also show corresponding color key, enter the above coulombic command and
add key true
> hide sel surfaces
> select clear
> select #1/K:472
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:473
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #1/K:474
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:475
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #2/K:451
20 atoms, 15 bonds, 5 residues, 1 model selected
> select add #2
53235 atoms, 54310 bonds, 10 pseudobonds, 7100 residues, 3 models selected
> select subtract #2
4 models selected
> select add #1
10647 atoms, 10877 bonds, 2 pseudobonds, 1420 residues, 10 models selected
> show sel surfaces
> select subtract #1
4 models selected
> select add #1
10647 atoms, 10877 bonds, 2 pseudobonds, 1420 residues, 10 models selected
> hide sel surfaces
> select #2/K:450
45 atoms, 40 bonds, 5 residues, 1 model selected
> select #2@@serial_number=28361
1 atom, 1 residue, 1 model selected
> select add #2
53235 atoms, 54310 bonds, 10 pseudobonds, 7100 residues, 3 models selected
> coulombic sel
Using Amber 20 recommended default charges and atom types for standard
residues
Hydrogen copy of hIgG1-b12_hexamer.pdb #/K SER 475 H bonded to atom that
should not have hydrogens (copy of hIgG1-b12_hexamer.pdb #/K SER 475 C)
> select clear
> select add #2
53235 atoms, 54310 bonds, 10 pseudobonds, 7100 residues, 2 models selected
> select subtract #2
4 models selected
> select add #2
53235 atoms, 54310 bonds, 10 pseudobonds, 7100 residues, 2 models selected
> show sel surfaces
> coulombic sel
Using Amber 20 recommended default charges and atom types for standard
residues
Hydrogen copy of hIgG1-b12_hexamer.pdb #/K SER 475 H bonded to atom that
should not have hydrogens (copy of hIgG1-b12_hexamer.pdb #/K SER 475 C)
> hide sel surfaces
> select clear
> select add #1
10647 atoms, 10877 bonds, 2 pseudobonds, 1420 residues, 10 models selected
> show sel surfaces
> hide sel surfaces
> select clear
> select #1/H:375
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #1/H:376
11 atoms, 10 bonds, 1 residue, 1 model selected
> select #1/H:377
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:470
9 atoms, 8 bonds, 1 residue, 1 model selected
> ui tool show H-Bonds
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> hbonds sel color #13ff00 restrict cross intraModel false twoColors true
> slopColor #d7fce5 select true reveal true log true
Finding intermodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
2 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
12032024_mIgG3Fc.pdb #4/B THR 232 OG1 hIgG1-b12_1HZH.pdb #1/K LYS 470 O no hydrogen 3.053 N/A
12032024_mIgG3Fc.pdb #9/B THR 232 OG1 hIgG1-b12_1HZH.pdb #1/K LYS 470 O no hydrogen 3.053 N/A
2 hydrogen bonds found
2 strict hydrogen bonds found
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
7 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_1HZH.pdb #1/K CYS 456 N hIgG1-b12_1HZH.pdb #1/K LYS 470 O no hydrogen 2.951 N/A
12032024_mIgG3Fc.pdb #4/B THR 232 OG1 hIgG1-b12_1HZH.pdb #1/K SER 471 O no hydrogen 3.490 N/A
12032024_mIgG3Fc.pdb #4/B THR 232 OG1 12032024_mIgG3Fc.pdb #4/B ASN 322 O no hydrogen 2.841 N/A
12032024_mIgG3Fc.pdb #4/B THR 232 OG1 12032024_mIgG3Fc.pdb #9/B ASN 322 O no hydrogen 2.841 N/A
12032024_mIgG3Fc.pdb #9/B THR 232 OG1 hIgG1-b12_1HZH.pdb #1/K SER 471 O no hydrogen 3.490 N/A
12032024_mIgG3Fc.pdb #9/B THR 232 OG1 12032024_mIgG3Fc.pdb #4/B ASN 322 O no hydrogen 2.841 N/A
12032024_mIgG3Fc.pdb #9/B THR 232 OG1 12032024_mIgG3Fc.pdb #9/B ASN 322 O no hydrogen 2.841 N/A
7 hydrogen bonds found
5 strict hydrogen bonds found
> select clear
> select #1/K:470
9 atoms, 8 bonds, 1 residue, 1 model selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
4 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_1HZH.pdb #1/K CYS 456 N hIgG1-b12_1HZH.pdb #1/K LYS 470 O no hydrogen 2.951 N/A
hIgG1-b12_1HZH.pdb #1/K LYS 470 N hIgG1-b12_1HZH.pdb #1/K CYS 456 O no hydrogen 3.192 N/A
12032024_mIgG3Fc.pdb #4/B THR 232 OG1 hIgG1-b12_1HZH.pdb #1/K LYS 470 O no hydrogen 3.053 N/A
12032024_mIgG3Fc.pdb #9/B THR 232 OG1 hIgG1-b12_1HZH.pdb #1/K LYS 470 O no hydrogen 3.053 N/A
4 hydrogen bonds found
3 strict hydrogen bonds found
> select #2/K:410
40 atoms, 35 bonds, 5 residues, 1 model selected
> select #2/K:411
20 atoms, 15 bonds, 5 residues, 1 model selected
> select clear
> select #2/K:453
35 atoms, 30 bonds, 5 residues, 1 model selected
> select #2/K:452
40 atoms, 35 bonds, 5 residues, 1 model selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
7 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_hexamer.pdb #2/K HOH 503 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.737 N/A
hIgG1-b12_hexamer.pdb #2/K HOH 503 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.736 N/A
hIgG1-b12_hexamer.pdb #2/K HOH 503 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.737 N/A
hIgG1-b12_hexamer.pdb #2/K HOH 503 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.736 N/A
hIgG1-b12_hexamer.pdb #2/K HOH 503 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.737 N/A
12032024_mIgG3Fc.pdb #5/D HOH 55 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.828 N/A
1hzhprime2.pdb #7/K HOH 503 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.736 N/A
7 hydrogen bonds found
6 strict hydrogen bonds found
> select #2/K:453
35 atoms, 30 bonds, 5 residues, 1 model selected
> select #2/K:471
30 atoms, 25 bonds, 5 residues, 1 model selected
> color sel byhetero
> select clear
> select #2/K:470
45 atoms, 40 bonds, 5 residues, 1 model selected
> select add #2/K:469
90 atoms, 80 bonds, 10 residues, 2 models selected
> select add #2/K:468
125 atoms, 110 bonds, 15 residues, 2 models selected
> style sel stick
Changed 125 atom styles
> show sel atoms
> color sel byhetero
> select clear
> select #1/K:414
9 atoms, 8 bonds, 1 residue, 1 model selected
> select add #1/K:411
13 atoms, 11 bonds, 2 residues, 2 models selected
> select add #1/K:410
21 atoms, 18 bonds, 3 residues, 2 models selected
> select add #1/K:408
27 atoms, 23 bonds, 4 residues, 2 models selected
> style sel stick
Changed 27 atom styles
> show sel atoms
> select clear
> select #2/K:450
45 atoms, 40 bonds, 5 residues, 1 model selected
> color sel byhetero
> select clear
> select #2/K:452
40 atoms, 35 bonds, 5 residues, 1 model selected
> select add #2/K:451
60 atoms, 50 bonds, 10 residues, 2 models selected
> select add #2/K:450
105 atoms, 90 bonds, 15 residues, 2 models selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
20 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_hexamer.pdb #2/K GLN 450 N hIgG1-b12_hexamer.pdb #2/K SER 446 O no hydrogen 2.834 N/A
hIgG1-b12_hexamer.pdb #2/K GLN 450 N hIgG1-b12_hexamer.pdb #2/K SER 446 O no hydrogen 2.834 N/A
hIgG1-b12_hexamer.pdb #2/K GLN 450 N hIgG1-b12_hexamer.pdb #2/K SER 446 O no hydrogen 2.835 N/A
hIgG1-b12_hexamer.pdb #2/K GLN 450 N hIgG1-b12_hexamer.pdb #2/K SER 446 O no hydrogen 2.835 N/A
hIgG1-b12_hexamer.pdb #2/K GLN 450 N 1hzhprime2.pdb #7/K SER 446 O no hydrogen 2.835 N/A
hIgG1-b12_hexamer.pdb #2/K GLN 450 N hIgG1-b12_hexamer.pdb #2/K SER 446 O no hydrogen 2.834 N/A
hIgG1-b12_hexamer.pdb #2/K GLY 451 N hIgG1-b12_hexamer.pdb #2/K TRP 448 O no hydrogen 2.930 N/A
hIgG1-b12_hexamer.pdb #2/K GLY 451 N hIgG1-b12_hexamer.pdb #2/K TRP 448 O no hydrogen 2.931 N/A
hIgG1-b12_hexamer.pdb #2/K GLY 451 N hIgG1-b12_hexamer.pdb #2/K TRP 448 O no hydrogen 2.931 N/A
hIgG1-b12_hexamer.pdb #2/K GLY 451 N hIgG1-b12_hexamer.pdb #2/K TRP 448 O no hydrogen 2.931 N/A
hIgG1-b12_hexamer.pdb #2/K GLY 451 N 1hzhprime2.pdb #7/K TRP 448 O no hydrogen 2.931 N/A
hIgG1-b12_hexamer.pdb #2/K GLY 451 N hIgG1-b12_hexamer.pdb #2/K TRP 448 O no hydrogen 2.930 N/A
hIgG1-b12_hexamer.pdb #2/K HOH 503 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.737 N/A
hIgG1-b12_hexamer.pdb #2/K HOH 503 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.736 N/A
hIgG1-b12_hexamer.pdb #2/K HOH 503 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.737 N/A
hIgG1-b12_hexamer.pdb #2/K HOH 503 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.736 N/A
hIgG1-b12_hexamer.pdb #2/K HOH 503 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.737 N/A
12032024_mIgG3Fc.pdb #5/D HOH 33 O hIgG1-b12_hexamer.pdb #2/K GLY 451 O no hydrogen 2.032 N/A
12032024_mIgG3Fc.pdb #5/D HOH 55 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.828 N/A
1hzhprime2.pdb #7/K HOH 503 O hIgG1-b12_hexamer.pdb #2/K ASN 452 O no hydrogen 2.736 N/A
20 hydrogen bonds found
19 strict hydrogen bonds found
> select up
233 atoms, 220 bonds, 35 residues, 4 models selected
> style sel & #!2 stick
Changed 210 atom styles
> show sel & #!2 atoms
> color sel & #!2 byhetero
> select #2/K:447
55 atoms, 50 bonds, 5 residues, 1 model selected
> style sel stick
Changed 55 atom styles
> show sel atoms
> color sel byhetero
> select clear
> show #!1-2 surfaces
> hide #!1-2 surfaces
> select add #1
10647 atoms, 10877 bonds, 2 pseudobonds, 1420 residues, 10 models selected
> show sel surfaces
> select clear
[Repeated 1 time(s)]
> select add #1
10647 atoms, 10877 bonds, 2 pseudobonds, 1420 residues, 11 models selected
> hide sel surfaces
> select clear
> select #1/H:377
8 atoms, 7 bonds, 1 residue, 1 model selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
8 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_1HZH.pdb #1/H THR 382 N hIgG1-b12_1HZH.pdb #1/H ASP 377 O no hydrogen 3.451 N/A
hIgG1-b12_1HZH.pdb #1/H THR 382 OG1 hIgG1-b12_1HZH.pdb #1/H ASP 377 O no hydrogen 3.382 N/A
12032024_mIgG3Fc.pdb #4/A SER 241 N hIgG1-b12_1HZH.pdb #1/H ASP 377 O no hydrogen 3.228 N/A
12032024_mIgG3Fc.pdb #4/A SER 241 OG hIgG1-b12_1HZH.pdb #1/H ASP 377 O no hydrogen 3.304 N/A
12032024_mIgG3Fc.pdb #4/D HOH 59 O hIgG1-b12_1HZH.pdb #1/H ASP 377 O no hydrogen 3.525 N/A
12032024_mIgG3Fc.pdb #9/A SER 241 N hIgG1-b12_1HZH.pdb #1/H ASP 377 O no hydrogen 3.228 N/A
12032024_mIgG3Fc.pdb #9/A SER 241 OG hIgG1-b12_1HZH.pdb #1/H ASP 377 O no hydrogen 3.304 N/A
12032024_mIgG3Fc.pdb #9/D HOH 59 O hIgG1-b12_1HZH.pdb #1/H ASP 377 O no hydrogen 3.525 N/A
8 hydrogen bonds found
0 strict hydrogen bonds found
> select #1/K:369
7 atoms, 6 bonds, 1 residue, 1 model selected
> select add #1/K:370
19 atoms, 18 bonds, 2 residues, 2 models selected
> select add #1/K:371
26 atoms, 24 bonds, 3 residues, 2 models selected
> select add #1/K:372
34 atoms, 31 bonds, 4 residues, 2 models selected
> style sel stick
Changed 34 atom styles
> show sel atoms
> color sel byhetero
> select add #1
10647 atoms, 10877 bonds, 4 pseudobonds, 1420 residues, 13 models selected
> select subtract #1
4 models selected
> select add #1
10647 atoms, 10877 bonds, 4 pseudobonds, 1420 residues, 12 models selected
> show sel surfaces
> select clear
> hide #!1-2 surfaces
> select clear
> select #2/K:454
55 atoms, 55 bonds, 5 residues, 1 model selected
> select add #2/K:455
85 atoms, 80 bonds, 10 residues, 2 models selected
> select add #2/K:456
115 atoms, 105 bonds, 15 residues, 2 models selected
> select add #2/K:457
145 atoms, 130 bonds, 20 residues, 2 models selected
> select add #2/K:458
180 atoms, 160 bonds, 25 residues, 2 models selected
> select add #2/K:459
220 atoms, 195 bonds, 30 residues, 2 models selected
> style sel stick
Changed 220 atom styles
> show sel atoms
> color sel byhetero
> select #2/K:423
35 atoms, 35 bonds, 5 residues, 1 model selected
> select clear
> select #2/K:411
20 atoms, 15 bonds, 5 residues, 1 model selected
> show sel atoms
[Repeated 4 time(s)]
> select #1/K:463
8 atoms, 7 bonds, 1 residue, 1 model selected
> select add #1/K:462
13 atoms, 11 bonds, 2 residues, 2 models selected
> style sel stick
Changed 13 atom styles
> show sel atoms
> color sel byhetero
> select clear
> select #1/K:398
6 atoms, 5 bonds, 1 residue, 1 model selected
> select add #1/K:399
14 atoms, 12 bonds, 2 residues, 2 models selected
> select add #1/K:400
22 atoms, 19 bonds, 3 residues, 2 models selected
> select add #1/K:397
29 atoms, 26 bonds, 4 residues, 2 models selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
6 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_1HZH.pdb #1/K SER 398 N hIgG1-b12_1HZH.pdb #1/K HOH 500 O no hydrogen 2.981 N/A
hIgG1-b12_1HZH.pdb #1/K SER 398 OG hIgG1-b12_1HZH.pdb #1/K HOH 500 O no hydrogen 3.309 N/A
hIgG1-b12_1HZH.pdb #1/K ILE 400 N hIgG1-b12_1HZH.pdb #1/K HOH 501 O no hydrogen 3.264 N/A
hIgG1-b12_1HZH.pdb #1/K HIS 460 ND1 hIgG1-b12_1HZH.pdb #1/K ASP 399 O no hydrogen 3.026 N/A
hIgG1-b12_1HZH.pdb #1/K HOH 500 O hIgG1-b12_1HZH.pdb #1/K SER 398 OG no hydrogen 3.309 N/A
hIgG1-b12_1HZH.pdb #1/K HOH 501 O hIgG1-b12_1HZH.pdb #1/K SER 398 O no hydrogen 2.852 N/A
6 hydrogen bonds found
2 strict hydrogen bonds found
> select #1/K:360
9 atoms, 8 bonds, 1 residue, 1 model selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
3 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_1HZH.pdb #1/K LYS 360 NZ 12032024_mIgG3Fc.pdb #4/B LYS 199 O no hydrogen 2.606 N/A
hIgG1-b12_1HZH.pdb #1/K LYS 360 NZ 12032024_mIgG3Fc.pdb #9/B LYS 199 O no hydrogen 2.606 N/A
hIgG1-b12_1HZH.pdb #1/K TYR 396 OH hIgG1-b12_1HZH.pdb #1/K LYS 360 O no hydrogen 2.468 N/A
3 hydrogen bonds found
1 strict hydrogen bonds found
> select add #1
10649 atoms, 10877 bonds, 3 pseudobonds, 1422 residues, 15 models selected
> show sel & #!1 surfaces
> show #4 models
> hide sel & #4#!1 surfaces
> hide #!1 models
> show #!1 models
> select subtract #1
2 atoms, 2 residues, 6 models selected
> hide #!1 models
> select clear
> select #4/B:224
11 atoms, 10 bonds, 1 residue, 1 model selected
> select add #4/B:223
15 atoms, 13 bonds, 2 residues, 1 model selected
> select add #4/B:222
24 atoms, 21 bonds, 3 residues, 1 model selected
> select add #4/B:221
31 atoms, 28 bonds, 4 residues, 1 model selected
> select add #4/B:220
40 atoms, 36 bonds, 5 residues, 1 model selected
> style sel stick
Changed 40 atom styles
> show sel atoms
> select clear
> select #4/B:225
5 atoms, 4 bonds, 1 residue, 1 model selected
> select add #4/B:226
14 atoms, 12 bonds, 2 residues, 1 model selected
> style sel stick
Changed 14 atom styles
> show sel atoms
> select add #4
3708 atoms, 3758 bonds, 508 residues, 1 model selected
> show sel surfaces
> coulombic sel
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for 12032024_mIgG3Fc.pdb_A SES surface #4.1: minimum, -14.23,
mean -1.31, maximum 11.10
Coulombic values for 12032024_mIgG3Fc.pdb_B SES surface #4.2: minimum, -16.02,
mean -1.49, maximum 9.48
To also show corresponding color key, enter the above coulombic command and
add key true
> show #5 models
> hide #5 models
> hide #!4 models
> show #!4 models
> hide sel surfaces
> hide #!4 models
> show #!1 models
> select subtract #4
2 models selected
> select add #1
10647 atoms, 10877 bonds, 3 pseudobonds, 1420 residues, 4 models selected
> show sel surfaces
> hide sel surfaces
> show #!4 models
> hide #!4 models
> show sel surfaces
> hide sel surfaces
> show sel surfaces
> hide sel surfaces
> select #1/K:394
4 atoms, 3 bonds, 1 residue, 1 model selected
> select add #1/K:395
15 atoms, 14 bonds, 2 residues, 2 models selected
> style sel stick
Changed 15 atom styles
> show sel atoms
> select #1/K:365
11 atoms, 10 bonds, 1 residue, 1 model selected
> select add #1/K:364
18 atoms, 17 bonds, 2 residues, 2 models selected
> style sel stick
Changed 18 atom styles
> show sel atoms
> select clear
> show #!4 models
> hide #!1 models
> show #!1 models
> hide #!4 models
> show #!4 models
> hide #!1 models
> show #!1 models
> hide #!4 models
> show #!4 models
> hide #!1 models
> show #!1 models
> hide #!4 models
> select #1/K:361
4 atoms, 3 bonds, 1 residue, 1 model selected
> show #!4 models
> hide #!1 models
> show #!2,4 surfaces
> hide #!2,4 surfaces
> hide #!4 models
> show #!1 models
> select clear
> select #1/K:366
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:367
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:368
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:369
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:370
12 atoms, 12 bonds, 1 residue, 1 model selected
> select #1/K:371
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:372
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:373
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:374
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:375
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #1/K:376
11 atoms, 10 bonds, 1 residue, 1 model selected
> select #1/K:377
8 atoms, 7 bonds, 1 residue, 1 model selected
> style sel stick
Changed 8 atom styles
> show sel atoms
> select clear
> select #2/H:410
40 atoms, 35 bonds, 5 residues, 1 model selected
> style sel stick
Changed 40 atom styles
> show sel atoms
> color sel byhetero
> select add #2
53235 atoms, 54310 bonds, 10 pseudobonds, 7100 residues, 11 models selected
> select subtract #2
4 models selected
> select add #1
10647 atoms, 10877 bonds, 3 pseudobonds, 1420 residues, 4 models selected
> show sel surfaces
[Repeated 1 time(s)]
> hide sel surfaces
> select clear
> select #2/H:414
45 atoms, 40 bonds, 5 residues, 1 model selected
> select #2/H:411
20 atoms, 15 bonds, 5 residues, 1 model selected
> select add #2/H:410
60 atoms, 50 bonds, 10 residues, 2 models selected
> select add #2/H:414
105 atoms, 90 bonds, 15 residues, 2 models selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
38 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_hexamer.pdb #2/H SER 408 N hIgG1-b12_hexamer.pdb #2/H GLN 414 O no hydrogen 2.773 N/A
hIgG1-b12_hexamer.pdb #2/H SER 408 N hIgG1-b12_hexamer.pdb #2/H GLN 414 O no hydrogen 2.773 N/A
hIgG1-b12_hexamer.pdb #2/H SER 408 N hIgG1-b12_hexamer.pdb #2/H GLN 414 O no hydrogen 2.773 N/A
hIgG1-b12_hexamer.pdb #2/H SER 408 N hIgG1-b12_hexamer.pdb #2/H GLN 414 O no hydrogen 2.773 N/A
hIgG1-b12_hexamer.pdb #2/H SER 408 N hIgG1-b12_hexamer.pdb #2/H GLN 414 O no hydrogen 2.773 N/A
hIgG1-b12_hexamer.pdb #2/H ASN 410 N hIgG1-b12_hexamer.pdb #2/H HOH 501 O no hydrogen 2.807 N/A
hIgG1-b12_hexamer.pdb #2/H ASN 410 N hIgG1-b12_hexamer.pdb #2/H HOH 501 O no hydrogen 2.805 N/A
hIgG1-b12_hexamer.pdb #2/H ASN 410 N hIgG1-b12_hexamer.pdb #2/H HOH 501 O no hydrogen 2.806 N/A
hIgG1-b12_hexamer.pdb #2/H ASN 410 N 1hzhprime2.pdb #7/H HOH 501 O no hydrogen 2.806 N/A
hIgG1-b12_hexamer.pdb #2/H ASN 410 N hIgG1-b12_hexamer.pdb #2/H HOH 501 O no hydrogen 2.807 N/A
hIgG1-b12_hexamer.pdb #2/H ASN 410 N hIgG1-b12_hexamer.pdb #2/H HOH 501 O no hydrogen 2.806 N/A
hIgG1-b12_hexamer.pdb #2/H GLY 411 N hIgG1-b12_hexamer.pdb #2/H HOH 489 O no hydrogen 2.693 N/A
hIgG1-b12_hexamer.pdb #2/H GLY 411 N hIgG1-b12_hexamer.pdb #2/H HOH 489 O no hydrogen 2.693 N/A
hIgG1-b12_hexamer.pdb #2/H GLY 411 N hIgG1-b12_hexamer.pdb #2/H HOH 489 O no hydrogen 2.693 N/A
hIgG1-b12_hexamer.pdb #2/H GLY 411 N 1hzhprime2.pdb #7/H HOH 489 O no hydrogen 2.693 N/A
hIgG1-b12_hexamer.pdb #2/H GLY 411 N hIgG1-b12_hexamer.pdb #2/H HOH 489 O no hydrogen 2.693 N/A
hIgG1-b12_hexamer.pdb #2/H GLY 411 N hIgG1-b12_hexamer.pdb #2/H HOH 489 O no hydrogen 2.693 N/A
hIgG1-b12_hexamer.pdb #2/H GLN 414 N hIgG1-b12_hexamer.pdb #2/H SER 408 O no hydrogen 2.662 N/A
hIgG1-b12_hexamer.pdb #2/H GLN 414 N hIgG1-b12_hexamer.pdb #2/H SER 408 O no hydrogen 2.662 N/A
hIgG1-b12_hexamer.pdb #2/H GLN 414 N hIgG1-b12_hexamer.pdb #2/H SER 408 O no hydrogen 2.662 N/A
hIgG1-b12_hexamer.pdb #2/H GLN 414 N 12032024_mIgG3Fc.pdb #5/A ARG 265 O no hydrogen 2.905 N/A
hIgG1-b12_hexamer.pdb #2/H GLN 414 N 1hzhprime2.pdb #7/H SER 408 O no hydrogen 2.662 N/A
hIgG1-b12_hexamer.pdb #2/H GLN 414 N hIgG1-b12_hexamer.pdb #2/H SER 408 O no hydrogen 2.662 N/A
hIgG1-b12_hexamer.pdb #2/H GLN 414 N hIgG1-b12_hexamer.pdb #2/H SER 408 O no hydrogen 2.663 N/A
hIgG1-b12_hexamer.pdb #2/H HOH 495 O hIgG1-b12_hexamer.pdb #2/H ASN 410 OD1 no hydrogen 2.603 N/A
hIgG1-b12_hexamer.pdb #2/H HOH 495 O hIgG1-b12_hexamer.pdb #2/H ASN 410 OD1 no hydrogen 2.603 N/A
hIgG1-b12_hexamer.pdb #2/H HOH 495 O hIgG1-b12_hexamer.pdb #2/H ASN 410 OD1 no hydrogen 2.603 N/A
hIgG1-b12_hexamer.pdb #2/H HOH 495 O hIgG1-b12_hexamer.pdb #2/H ASN 410 OD1 no hydrogen 2.603 N/A
hIgG1-b12_hexamer.pdb #2/H HOH 495 O hIgG1-b12_hexamer.pdb #2/H ASN 410 OD1 no hydrogen 2.603 N/A
hIgG1-b12_hexamer.pdb #2/H HOH 501 O hIgG1-b12_hexamer.pdb #2/H ASN 410 OD1 no hydrogen 3.322 N/A
hIgG1-b12_hexamer.pdb #2/H HOH 501 O hIgG1-b12_hexamer.pdb #2/H ASN 410 OD1 no hydrogen 3.322 N/A
hIgG1-b12_hexamer.pdb #2/H HOH 501 O hIgG1-b12_hexamer.pdb #2/H ASN 410 OD1 no hydrogen 3.323 N/A
hIgG1-b12_hexamer.pdb #2/H HOH 501 O hIgG1-b12_hexamer.pdb #2/H ASN 410 OD1 no hydrogen 3.323 N/A
hIgG1-b12_hexamer.pdb #2/H HOH 501 O hIgG1-b12_hexamer.pdb #2/H ASN 410 OD1 no hydrogen 3.323 N/A
12032024_mIgG3Fc.pdb #5/A ARG 265 N hIgG1-b12_hexamer.pdb #2/H GLN 414 O no hydrogen 3.285 N/A
1hzhprime2.pdb #7/H SER 408 N hIgG1-b12_hexamer.pdb #2/H GLN 414 O no hydrogen 2.773 N/A
1hzhprime2.pdb #7/H HOH 495 O hIgG1-b12_hexamer.pdb #2/H ASN 410 OD1 no hydrogen 2.603 N/A
1hzhprime2.pdb #7/H HOH 501 O hIgG1-b12_hexamer.pdb #2/H ASN 410 OD1 no hydrogen 3.323 N/A
38 hydrogen bonds found
31 strict hydrogen bonds found
> select #1/K:375
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #1/K:378
9 atoms, 8 bonds, 1 residue, 1 model selected
> style sel stick
Changed 9 atom styles
> show sel atoms
> select clear
> select #1/K:378
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:381
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:382
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:383
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:384
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:385
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:386
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:387
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #1/K:388
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:389
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:390
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #1/K:391
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:392
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:393
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:394
4 atoms, 3 bonds, 1 residue, 1 model selected
> select #1/K:395
11 atoms, 11 bonds, 1 residue, 1 model selected
> select #1/K:396
12 atoms, 12 bonds, 1 residue, 1 model selected
> select #1/K:397
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:398
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #1/K:399
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:400
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:397
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:399
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:423
7 atoms, 7 bonds, 1 residue, 1 model selected
> select add #1/K:424
14 atoms, 14 bonds, 2 residues, 2 models selected
> select add #1/K:425
21 atoms, 20 bonds, 3 residues, 2 models selected
> select add #1/K:426
29 atoms, 27 bonds, 4 residues, 2 models selected
> style sel stick
Changed 29 atom styles
> show sel atoms
> select #1/K:399
8 atoms, 7 bonds, 1 residue, 1 model selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
1 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_1HZH.pdb #1/K HIS 460 ND1 hIgG1-b12_1HZH.pdb #1/K ASP 399 O no hydrogen 3.026 N/A
1 hydrogen bonds found
0 strict hydrogen bonds found
> select add #1
10647 atoms, 10877 bonds, 3 pseudobonds, 1420 residues, 8 models selected
> mlp sel
Map values for surface "hIgG1-b12_1HZH.pdb_H SES surface": minimum -27.91,
mean -5.346, maximum 23.27
Map values for surface "hIgG1-b12_1HZH.pdb_K SES surface": minimum -31.15,
mean -5.25, maximum 22.74
Map values for surface "hIgG1-b12_1HZH.pdb_L SES surface": minimum -27.66,
mean -6.197, maximum 22.18
Map values for surface "hIgG1-b12_1HZH.pdb_M SES surface": minimum -27.88,
mean -6.157, maximum 22.23
To also show corresponding color key, enter the above mlp command and add key
true
> hide sel surfaces
[Repeated 1 time(s)]
> show sel surfaces
> hide sel surfaces
> select clear
> select #1/K:399
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:400
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:401
5 atoms, 4 bonds, 1 residue, 1 model selected
> select #1/K:405
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #2/K:464
50 atoms, 50 bonds, 5 residues, 1 model selected
> select clear
> select #2/K:464
50 atoms, 50 bonds, 5 residues, 1 model selected
> select add #2/K:465
90 atoms, 85 bonds, 10 residues, 2 models selected
> style sel stick
Changed 90 atom styles
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
6 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_hexamer.pdb #2/K HIS 464 N hIgG1-b12_hexamer.pdb #2/K HOH 504 O no hydrogen 3.416 N/A
hIgG1-b12_hexamer.pdb #2/K HIS 464 N hIgG1-b12_hexamer.pdb #2/K HOH 504 O no hydrogen 3.416 N/A
hIgG1-b12_hexamer.pdb #2/K HIS 464 N hIgG1-b12_hexamer.pdb #2/K HOH 504 O no hydrogen 3.416 N/A
hIgG1-b12_hexamer.pdb #2/K HIS 464 N hIgG1-b12_hexamer.pdb #2/K HOH 504 O no hydrogen 3.416 N/A
hIgG1-b12_hexamer.pdb #2/K HIS 464 N 1hzhprime2.pdb #7/K HOH 504 O no hydrogen 3.416 N/A
hIgG1-b12_hexamer.pdb #2/K HIS 464 N hIgG1-b12_hexamer.pdb #2/K HOH 504 O no hydrogen 3.416 N/A
6 hydrogen bonds found
0 strict hydrogen bonds found
> select #1/K:407
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:401
5 atoms, 4 bonds, 1 residue, 1 model selected
> select #1/K:401
5 atoms, 4 bonds, 1 residue, 1 model selected
> select #1/K:407
9 atoms, 8 bonds, 1 residue, 1 model selected
> style sel stick
Changed 9 atom styles
> show sel atoms
> select #1/K:410
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:416
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:417
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:418
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:419
12 atoms, 12 bonds, 1 residue, 1 model selected
> select #1/K:420
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:421
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:422
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:423
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:436
11 atoms, 11 bonds, 1 residue, 1 model selected
> select #1/K:424
7 atoms, 7 bonds, 1 residue, 1 model selected
> select clear
> select #1/K:425
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:426
8 atoms, 7 bonds, 1 residue, 1 model selected
> select clear
> select #1/K:427
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:428
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #1/K:430
8 atoms, 7 bonds, 1 residue, 1 model selected
> select clear
> select #1/K:433
4 atoms, 3 bonds, 1 residue, 1 model selected
> select #1/K:425
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:419
12 atoms, 12 bonds, 1 residue, 1 model selected
> select #1/K:430
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/H:249
4 atoms, 3 bonds, 1 residue, 1 model selected
> select #1/H:249-254
39 atoms, 40 bonds, 6 residues, 1 model selected
> select #1/H:302-303
18 atoms, 18 bonds, 2 residues, 1 model selected
> select #1/H:302-312
93 atoms, 94 bonds, 11 residues, 1 model selected
> select #1/H:366-368
25 atoms, 25 bonds, 3 residues, 1 model selected
> select #1/H:366-373
66 atoms, 68 bonds, 8 residues, 1 model selected
> select #1/H:427
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/H:427-438
74 atoms, 76 bonds, 9 residues, 1 model selected
> select
> #1/H:3-6,10-12,18-20,22-25,34-39,46-51,57-59,67-71,78-82,88-94,107-111,120-124,138-145,153-157,171-178,185-193,207-212,217-222,252-256,272-277,287-292,299-301,305-311,319-325,338-343,351-355,368-372,385-395,401-408,414-415,419-421,425-426,435-444,454-459,468-472
1555 atoms, 1564 bonds, 192 residues, 1 model selected
> select #1/H:242-243
13 atoms, 13 bonds, 2 residues, 1 model selected
> select #1/H:184-242
381 atoms, 389 bonds, 51 residues, 1 model selected
> select clear
> select ::name="MET"
704 atoms, 616 bonds, 1 pseudobond, 88 residues, 7 models selected
> select #1/K:435
11 atoms, 11 bonds, 1 residue, 1 model selected
> select #1/K:469
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:369
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:368
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:367
7 atoms, 7 bonds, 1 residue, 1 model selected
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
> select #1/K:459
8 atoms, 7 bonds, 1 residue, 1 model selected
> style sel stick
Changed 8 atom styles
> show sel atoms
> select #1/K:461
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:462@CA
1 atom, 1 residue, 1 model selected
> select #1/K:463
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:464
10 atoms, 10 bonds, 1 residue, 1 model selected
> select #1/K:465
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:466
10 atoms, 10 bonds, 1 residue, 1 model selected
> select #1/K:467
12 atoms, 12 bonds, 1 residue, 1 model selected
> select #1/K:468
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:469
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:470
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/K:463
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:464
10 atoms, 10 bonds, 1 residue, 1 model selected
> select #1/K:465
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #2/K:261
45 atoms, 40 bonds, 5 residues, 1 model selected
> style sel stick
Changed 45 atom styles
> show sel atoms
> color sel byhetero
> select #1/K:464
10 atoms, 10 bonds, 1 residue, 1 model selected
> select #1/K:465
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:466
10 atoms, 10 bonds, 1 residue, 1 model selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
4 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_1HZH.pdb #1/K HIS 460 N hIgG1-b12_1HZH.pdb #1/K HIS 466 O no hydrogen 3.289 N/A
hIgG1-b12_1HZH.pdb #1/K HIS 466 N hIgG1-b12_1HZH.pdb #1/K LEU 463 O no hydrogen 2.772 N/A
hIgG1-b12_1HZH.pdb #1/K HIS 466 N 12032024_mIgG3Fc.pdb #4/B HIS 315 O no hydrogen 2.278 N/A
hIgG1-b12_1HZH.pdb #1/K HIS 466 N 12032024_mIgG3Fc.pdb #9/B HIS 315 O no hydrogen 2.278 N/A
4 hydrogen bonds found
3 strict hydrogen bonds found
> select clear
> select #1/K:466
10 atoms, 10 bonds, 1 residue, 1 model selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
4 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_1HZH.pdb #1/K HIS 460 N hIgG1-b12_1HZH.pdb #1/K HIS 466 O no hydrogen 3.289 N/A
hIgG1-b12_1HZH.pdb #1/K HIS 466 N hIgG1-b12_1HZH.pdb #1/K LEU 463 O no hydrogen 2.772 N/A
hIgG1-b12_1HZH.pdb #1/K HIS 466 N 12032024_mIgG3Fc.pdb #4/B HIS 315 O no hydrogen 2.278 N/A
hIgG1-b12_1HZH.pdb #1/K HIS 466 N 12032024_mIgG3Fc.pdb #9/B HIS 315 O no hydrogen 2.278 N/A
4 hydrogen bonds found
3 strict hydrogen bonds found
> select #1/K:467
12 atoms, 12 bonds, 1 residue, 1 model selected
> select #1/K:468
7 atoms, 6 bonds, 1 residue, 1 model selected
> select add #1
10647 atoms, 10877 bonds, 4 pseudobonds, 1420 residues, 11 models selected
> show sel surfaces
> coulombic sel
Coulombic values for hIgG1-b12_1HZH.pdb_H SES surface #1.3: minimum, -16.29,
mean -0.20, maximum 13.85
Coulombic values for hIgG1-b12_1HZH.pdb_K SES surface #1.4: minimum, -16.95,
mean -0.24, maximum 12.63
Coulombic values for hIgG1-b12_1HZH.pdb_L SES surface #1.5: minimum, -12.81,
mean 0.30, maximum 10.69
Coulombic values for hIgG1-b12_1HZH.pdb_M SES surface #1.6: minimum, -14.55,
mean 0.44, maximum 11.74
To also show corresponding color key, enter the above coulombic command and
add key true
> hide sel surfaces
> show sel surfaces
> hide sel surfaces
> select #1/K:469
9 atoms, 8 bonds, 1 residue, 1 model selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
3 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_1HZH.pdb #1/K GLN 469 NE2 hIgG1-b12_1HZH.pdb #1/K TYR 467 OH no hydrogen 3.513 N/A
12032024_mIgG3Fc.pdb #4/B ASN 322 ND2 hIgG1-b12_1HZH.pdb #1/K GLN 469 OE1 no hydrogen 3.437 N/A
12032024_mIgG3Fc.pdb #9/B ASN 322 ND2 hIgG1-b12_1HZH.pdb #1/K GLN 469 OE1 no hydrogen 3.437 N/A
3 hydrogen bonds found
0 strict hydrogen bonds found
> select #1/K:470
9 atoms, 8 bonds, 1 residue, 1 model selected
> select clear
> select ::name="PRO"
5221 atoms, 5315 bonds, 745 residues, 6 models selected
> select #1/K:270
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/K:269
7 atoms, 6 bonds, 1 residue, 1 model selected
> show sel atoms
> select clear
> select #1/K:268
11 atoms, 10 bonds, 1 residue, 1 model selected
> show sel atoms
> select add #1/K:269
18 atoms, 16 bonds, 2 residues, 2 models selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
6 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_1HZH.pdb #1/K ARG 268 N hIgG1-b12_1HZH.pdb #1/K MET 265 O no hydrogen 3.229 N/A
hIgG1-b12_1HZH.pdb #1/K ARG 268 NE hIgG1-b12_1HZH.pdb #1/K ASP 262 OD1 no hydrogen 3.080 N/A
hIgG1-b12_1HZH.pdb #1/K ARG 268 NH2 hIgG1-b12_1HZH.pdb #1/K HOH 488 O no hydrogen 3.071 N/A
hIgG1-b12_hexamer.pdb #2/K GLN 330 NE2 hIgG1-b12_1HZH.pdb #1/K ARG 268 O no hydrogen 3.443 N/A
12032024_mIgG3Fc.pdb #4/B SER 136 OG hIgG1-b12_1HZH.pdb #1/K ARG 268 O no hydrogen 3.507 N/A
12032024_mIgG3Fc.pdb #9/B SER 136 OG hIgG1-b12_1HZH.pdb #1/K ARG 268 O no hydrogen 3.507 N/A
6 hydrogen bonds found
1 strict hydrogen bonds found
> open
> "/Users/U1029809/Library/Containers/com.microsoft.Outlook/Data/tmp/Outlook
> Temp/p1G5_JCSG1_5_12.1_refmac1-coot-M[2].pdb"
Summary of feedback from opening
/Users/U1029809/Library/Containers/com.microsoft.Outlook/Data/tmp/Outlook
Temp/p1G5_JCSG1_5_12.1_refmac1-coot-M[2].pdb
---
warnings | Cannot find LINK/SSBOND residue CYS (249 )
Cannot find LINK/SSBOND residue CYS (249 )
Cannot find LINK/SSBOND residue CYS (143 )
Cannot find LINK/SSBOND residue CYS (143 )
Cannot find LINK/SSBOND residue CYS (143 )
p1G5_JCSG1_5_12.1_refmac1-coot-M[2].pdb title:
\--- [more info...]
Chain information for p1G5_JCSG1_5_12.1_refmac1-coot-M[2].pdb #10
---
Chain | Description
A | No description available
> close #10
> select #1/K:267
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #1/K:268
11 atoms, 10 bonds, 1 residue, 1 model selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
6 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_1HZH.pdb #1/K ARG 268 N hIgG1-b12_1HZH.pdb #1/K MET 265 O no hydrogen 3.229 N/A
hIgG1-b12_1HZH.pdb #1/K ARG 268 NE hIgG1-b12_1HZH.pdb #1/K ASP 262 OD1 no hydrogen 3.080 N/A
hIgG1-b12_1HZH.pdb #1/K ARG 268 NH2 hIgG1-b12_1HZH.pdb #1/K HOH 488 O no hydrogen 3.071 N/A
hIgG1-b12_hexamer.pdb #2/K GLN 330 NE2 hIgG1-b12_1HZH.pdb #1/K ARG 268 O no hydrogen 3.443 N/A
12032024_mIgG3Fc.pdb #4/B SER 136 OG hIgG1-b12_1HZH.pdb #1/K ARG 268 O no hydrogen 3.507 N/A
12032024_mIgG3Fc.pdb #9/B SER 136 OG hIgG1-b12_1HZH.pdb #1/K ARG 268 O no hydrogen 3.507 N/A
6 hydrogen bonds found
1 strict hydrogen bonds found
> select #1/K:269
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/K:329
10 atoms, 10 bonds, 1 residue, 1 model selected
> hbonds sel color #13ff00 restrict cross twoColors true slopColor #d7fce5
> select true reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 hIgG1-b12_1HZH.pdb
2 hIgG1-b12_hexamer.pdb
4 12032024_mIgG3Fc.pdb
5 12032024_mIgG3Fc.pdb
7 1hzhprime2.pdb
9 12032024_mIgG3Fc.pdb
4 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
hIgG1-b12_1HZH.pdb #1/K HIS 329 N hIgG1-b12_1HZH.pdb #1/K HOH 515 O no hydrogen 3.167 N/A
hIgG1-b12_1HZH.pdb #1/K HIS 329 ND1 hIgG1-b12_1HZH.pdb #1/K HOH 515 O no hydrogen 2.952 N/A
hIgG1-b12_1HZH.pdb #1/K LEU 333 N hIgG1-b12_1HZH.pdb #1/K HIS 329 O no hydrogen 3.046 N/A
hIgG1-b12_1HZH.pdb #1/K HOH 515 O hIgG1-b12_1HZH.pdb #1/K HIS 329 ND1 no hydrogen 2.952 N/A
4 hydrogen bonds found
2 strict hydrogen bonds found
> select #1/H:408
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #1/H:410
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/H:411
4 atoms, 3 bonds, 1 residue, 1 model selected
> select #1/H:414
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #1/H:415
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/H:416
9 atoms, 8 bonds, 1 residue, 1 model selected
> show sel atoms
> show #!4 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!4 models
> show #!4 models
> hide #!4 models
> hide #!1 models
> show #!1 models
> save /Users/U1029809/Desktop/mIgG3Fc_Iterations/1HZHcrystalpackcomp.cxs
——— End of log from Tue Dec 10 15:25:34 2024 ———
opened ChimeraX session
> select #1/H:265
8 atoms, 7 bonds, 1 residue, 1 model selected
> select clear
> select #1/H:265
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/H:263
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/H:263
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/H:263
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/H:265
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/H:267
6 atoms, 5 bonds, 1 residue, 1 model selected
> select #1/H:263
7 atoms, 6 bonds, 1 residue, 1 model selected
> select add #1/H:265
15 atoms, 13 bonds, 2 residues, 2 models selected
> color (#!1 & sel) red
> color (#!1 & sel) purple
> show sel atoms
> select #1/H:267
6 atoms, 5 bonds, 1 residue, 1 model selected
> show sel atoms
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/statusbar.py", line 84, in _expose_event
self.status(self._last_message, self._last_color)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/statusbar.py", line 150, in status
r.draw_background()
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/graphics/opengl.py", line 1220, in draw_background
GL.glClear(flags)
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError
OpenGL.error.GLError: GLError(
err = 1286,
description = b'invalid framebuffer operation',
baseOperation = glClear,
cArguments = (16640,)
)
OpenGL.error.GLError: GLError(
err = 1286,
description = b'invalid framebuffer operation',
baseOperation = glClear,
cArguments = (16640,)
)
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError
See log for complete Python traceback.
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/statusbar.py", line 84, in _expose_event
self.status(self._last_message, self._last_color)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/statusbar.py", line 150, in status
r.draw_background()
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/graphics/opengl.py", line 1220, in draw_background
GL.glClear(flags)
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError
OpenGL.error.GLError: GLError(
err = 1286,
description = b'invalid framebuffer operation',
baseOperation = glClear,
cArguments = (16640,)
)
OpenGL.error.GLError: GLError(
err = 1286,
description = b'invalid framebuffer operation',
baseOperation = glClear,
cArguments = (16640,)
)
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError
See log for complete Python traceback.
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/statusbar.py", line 84, in _expose_event
self.status(self._last_message, self._last_color)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/statusbar.py", line 150, in status
r.draw_background()
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/graphics/opengl.py", line 1220, in draw_background
GL.glClear(flags)
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError
OpenGL.error.GLError: GLError(
err = 1286,
description = b'invalid framebuffer operation',
baseOperation = glClear,
cArguments = (16640,)
)
OpenGL.error.GLError: GLError(
err = 1286,
description = b'invalid framebuffer operation',
baseOperation = glClear,
cArguments = (16640,)
)
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError
See log for complete Python traceback.
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/statusbar.py", line 84, in _expose_event
self.status(self._last_message, self._last_color)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/statusbar.py", line 150, in status
r.draw_background()
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/graphics/opengl.py", line 1220, in draw_background
GL.glClear(flags)
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError
OpenGL.error.GLError: GLError(
err = 1286,
description = b'invalid framebuffer operation',
baseOperation = glClear,
cArguments = (16640,)
)
OpenGL.error.GLError: GLError(
err = 1286,
description = b'invalid framebuffer operation',
baseOperation = glClear,
cArguments = (16640,)
)
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError
See log for complete Python traceback.
An error occurred in drawing the scene. Redrawing graphics is now stopped to
avoid a continuous stream of error messages. To restart graphics use the
command "graphics restart" after changing the settings that caused the error.
GLError(
err = 1286,
description = b'invalid framebuffer operation',
baseOperation = glBlitFramebuffer,
cArguments = (
0,
0,
1100,
850,
0,
0,
1100,
850,
GL_COLOR_BUFFER_BIT,
GL_NEAREST,
)
)
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/updateloop.py", line 84, in draw_new_frame
view.draw(check_for_changes = False)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/graphics/view.py", line 188, in draw
self._draw_scene(camera, drawings)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/graphics/view.py", line 278, in _draw_scene
offscreen.finish(r)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/graphics/opengl.py", line 1787, in finish
cfb.copy_from_framebuffer(fb, depth=False)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/graphics/opengl.py", line 2327, in copy_from_framebuffer
GL.glBlitFramebuffer(0, 0, w, h, 0, 0, w, h, what, GL.GL_NEAREST)
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError
OpenGL.error.GLError: GLError(
err = 1286,
description = b'invalid framebuffer operation',
baseOperation = glBlitFramebuffer,
cArguments = (
0,
0,
1100,
850,
0,
0,
1100,
850,
GL_COLOR_BUFFER_BIT,
GL_NEAREST,
)
)
The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.
[Repeated 1 time(s)]
OpenGL version: 4.1 Metal - 89.4
OpenGL renderer: Apple M3 Max
OpenGL vendor: Apple
Python: 3.11.4
Locale: en_US.UTF-8
Qt version: PyQt6 6.6.1, Qt 6.6.1
Qt runtime version: 6.6.3
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: MacBook Pro
Model Identifier: Mac15,9
Model Number: MUW63LL/A
Chip: Apple M3 Max
Total Number of Cores: 16 (12 performance and 4 efficiency)
Memory: 48 GB
System Firmware Version: 11881.101.1
OS Loader Version: 11881.101.1
Software:
System Software Overview:
System Version: macOS 15.4 (24E248)
Kernel Version: Darwin 24.4.0
Time since boot: 4 days, 5 hours, 6 minutes
Graphics/Displays:
Apple M3 Max:
Chipset Model: Apple M3 Max
Type: GPU
Bus: Built-In
Total Number of Cores: 40
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
Color LCD:
Display Type: Built-in Liquid Retina XDR Display
Resolution: 3456 x 2234 Retina
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: Yes
Connection Type: Internal
DELL P2722HE:
Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
UI Looks like: 1920 x 1080 @ 60.00Hz
Mirror: Off
Online: Yes
Rotation: Supported
DELL P2722H:
Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
UI Looks like: 1920 x 1080 @ 60.00Hz
Mirror: Off
Online: Yes
Rotation: Supported
Installed Packages:
alabaster: 0.7.16
appdirs: 1.4.4
appnope: 0.1.4
asttokens: 2.4.1
Babel: 2.15.0
beautifulsoup4: 4.12.3
blockdiag: 3.0.0
blosc2: 2.0.0
build: 1.2.1
certifi: 2023.11.17
cftime: 1.6.4
charset-normalizer: 3.3.2
ChimeraX-AddCharge: 1.5.17
ChimeraX-AddH: 2.2.6
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.5
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.12.7
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.1.1
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.57.1
ChimeraX-AtomicLibrary: 14.0.6
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.2
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.4.6
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.1
ChimeraX-BuildStructure: 2.12.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.2.7
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.4
ChimeraX-ChemGroup: 2.0.1
ChimeraX-Clashes: 2.2.4
ChimeraX-Clipper: 0.23.1
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.6
ChimeraX-CommandLine: 1.2.5
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.8
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.3
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.3
ChimeraX-Dicom: 1.2.4
ChimeraX-DiffPlot: 1.0
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.1.3
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.1.1
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-ISOLDE: 1.8
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-Label: 1.1.10
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.1.6
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
ChimeraX-Map: 1.2
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: 2.1.3
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.7.1
ChimeraX-MedicalToolbar: 1.0.3
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.14.1
ChimeraX-MMTF: 2.2
ChimeraX-Modeller: 1.5.17
ChimeraX-ModelPanel: 1.5
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.13.5
ChimeraX-PDB: 2.7.5
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: 1.1.1
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.4.1
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-Segmentations: 3.0.15
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.11.2
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.1.1
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.16.5
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.2.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.5
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.1.2
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.39.1
ChimeraX-uniprot: 2.3
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.4.3
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.4
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.2.2
contourpy: 1.2.1
cxservices: 1.2.2
cycler: 0.12.1
Cython: 3.0.10
debugpy: 1.8.1
decorator: 5.1.1
docutils: 0.20.1
executing: 2.0.1
filelock: 3.13.4
fonttools: 4.53.0
funcparserlib: 2.0.0a0
glfw: 2.7.0
grako: 3.16.5
h5py: 3.11.0
html2text: 2024.2.26
idna: 3.7
ihm: 1.0
imagecodecs: 2024.1.1
imagesize: 1.4.1
ipykernel: 6.29.2
ipython: 8.21.0
ipywidgets: 8.1.3
jedi: 0.19.1
jinja2: 3.1.4
jupyter-client: 8.6.0
jupyter-core: 5.7.2
jupyterlab-widgets: 3.0.11
kiwisolver: 1.4.5
line-profiler: 4.1.2
lxml: 5.2.1
lz4: 4.3.3
MarkupSafe: 2.1.5
matplotlib: 3.8.4
matplotlib-inline: 0.1.7
msgpack: 1.0.8
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.10.0
numpy: 1.26.4
openvr: 1.26.701
packaging: 23.2
ParmEd: 4.2.2
parso: 0.8.4
pep517: 0.13.1
pexpect: 4.9.0
pillow: 10.3.0
pip: 24.0
pkginfo: 1.10.0
platformdirs: 4.2.2
prompt-toolkit: 3.0.47
psutil: 5.9.8
ptyprocess: 0.7.0
pure-eval: 0.2.2
py-cpuinfo: 9.0.0
pycollada: 0.8
pydicom: 2.4.4
pygments: 2.17.2
pynmrstar: 3.3.4
pynrrd: 1.0.0
PyOpenGL: 3.1.7
PyOpenGL-accelerate: 3.1.7
pyopenxr: 1.0.3401
pyparsing: 3.1.2
pyproject-hooks: 1.1.0
PyQt6-commercial: 6.6.1
PyQt6-Qt6: 6.6.3
PyQt6-sip: 13.6.0
PyQt6-WebEngine-commercial: 6.6.0
PyQt6-WebEngine-Qt6: 6.6.3
python-dateutil: 2.9.0.post0
pytz: 2024.1
pyzmq: 26.0.3
qtconsole: 5.5.1
QtPy: 2.4.1
RandomWords: 0.4.0
requests: 2.31.0
scipy: 1.13.0
setuptools: 69.5.1
setuptools-scm: 8.0.4
sfftk-rw: 0.8.1
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.5
sphinx: 7.2.6
sphinx-autodoc-typehints: 2.0.1
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: 0.6.3
tables: 3.8.0
tcia-utils: 1.5.1
tifffile: 2024.1.30
tinyarray: 1.2.4
tornado: 6.4.1
traitlets: 5.14.2
typing-extensions: 4.12.2
tzdata: 2024.1
urllib3: 2.2.1
wcwidth: 0.2.13
webcolors: 1.13
wheel: 0.43.0
wheel-filename: 1.4.1
widgetsnbextension: 4.0.11
Change History (2)
comment:1 by , 7 months ago
| Component: | Unassigned → Graphics |
|---|---|
| Description: | modified (diff) |
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → Status bar: glClear: invalid framebuffer operation |
comment:2 by , 7 months ago
| Resolution: | → can't reproduce |
|---|---|
| Status: | assigned → closed |
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OpenGL errors after many successful commands. User had 3 displays connected. Maybe the problem is some bug handling OpenGL across the 3 displays.