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#15718 closed defect (fixed)
Clash attribute not registered
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Structure Analysis | 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-14.5-x86_64-i386-64bit
ChimeraX Version: 1.8 (2024-06-10 23:15:52 UTC)
Description
Using contacts or clashes with setAttrs true doesn't produce the overlap attribute
Log:
Startup Messages
---
note | available bundle cache has not been initialized yet
> remotecontrol rest start
UCSF ChimeraX version: 1.8 (2024-06-10)
© 2016-2024 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
REST server started on host 127.0.0.1 port 62140
Visit http://127.0.0.1:62140/cmdline.html for CLI interface
> view ::jv_RESNUM
No objects specified.
> info atomattr
atomattr alt_loc
atomattr alt_locs
atomattr aniso_u
atomattr aniso_u6
atomattr atomspec
atomattr bfactor
atomattr bonds
atomattr color
atomattr coord
atomattr coord_index
atomattr cpp_pointer
atomattr custom_attrs
atomattr default_radius
atomattr deleted
atomattr display
atomattr display_radius
atomattr draw_mode
atomattr effective_coord
atomattr element
atomattr has_custom_attrs
atomattr hide
atomattr idatm_type
atomattr is_ribose
atomattr is_side_chain
atomattr is_side_connector
atomattr is_side_only
atomattr name
atomattr neighbors
atomattr num_alt_locs
atomattr num_bonds
atomattr num_explicit_bonds
atomattr occupancy
atomattr pb_coord
atomattr pb_scene_coord
atomattr radius
atomattr residue
atomattr ribbon_coord
atomattr scene_coord
atomattr selected
atomattr serial_number
atomattr session
atomattr structure
atomattr structure_category
atomattr visible
> info resattr
resattr alt_loc
resattr alt_locs
resattr atoms
resattr atomspec
resattr center
resattr chain
resattr chain_id
resattr chi1
resattr chi2
resattr chi3
resattr chi4
resattr cpp_pointer
resattr custom_attrs
resattr deleted
resattr description
resattr has_custom_attrs
resattr insertion_code
resattr is_helix
resattr is_strand
resattr label_one_letter_code
resattr label_specifier
resattr mmcif_chain_id
resattr name
resattr neighbors
resattr num_atoms
resattr number
resattr omega
resattr one_letter_code
resattr phi
resattr polymer_type
resattr principal_atom
resattr psi
resattr ribbon_adjust
resattr ribbon_color
resattr ribbon_display
resattr ribbon_hide_backbone
resattr ring_color
resattr ring_display
resattr selected
resattr session
resattr ss_id
resattr ss_type
resattr standard_aa_name
resattr structure
resattr sym_chi1
resattr sym_chi2
resattr sym_chi3
resattr sym_chi4
resattr thin_rings
resattr worm_radius
\----------------------------------------
Exception occurred during processing of request from ('127.0.0.1', 62379)
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/socketserver.py",
line 317, in _handle_request_noblock
self.process_request(request, client_address)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/socketserver.py",
line 348, in process_request
self.finish_request(request, client_address)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/socketserver.py",
line 361, in finish_request
self.RequestHandlerClass(request, client_address, self)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/socketserver.py",
line 755, in __init__
self.handle()
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/http/server.py",
line 436, in handle
self.handle_one_request()
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/http/server.py",
line 424, in handle_one_request
method()
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/rest_server/server.py", line 139, in do_GET
self._run(args)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/rest_server/server.py", line 257, in _run
self.wfile.write(data)
File
"/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/socketserver.py",
line 834, in write
self._sock.sendall(b)
ConnectionResetError: [Errno 54] Connection reset by peer
\----------------------------------------
> view ::jv_RESNUM
> display ligand
> select ligand
102 atoms, 80 bonds, 22 residues, 3 models selected
> ui tool show Contacts
> contacts sel setAttrs true attrName ligand_overlap restrict cross
> overlapCutoff -2.0 interModel false select true color #db9583 reveal true
> log true
Allowed overlap: -2
H-bond overlap reduction: 0.4
Ignore contacts between atoms separated by 4 bonds or less
Detect intra-residue contacts: False
Detect intra-molecule contacts: True
1588 contacts
atom1 atom2 overlap distance
3CJM #1/A EDO 7 C1 3CJM #1/A GLU 243 OE1 (alt loc B) 0.345 2.955
3P09 #2/B GOL 294 C3 3P09 #2/B GLY 136 CA 0.321 3.439
3CJM #1/A EDO 5 C2 3CJM #1/A THR 247 C 0.309 3.181
4EWF #3/A SO4 302 O2 4EWF #3/A HIS 90 ND1 0.306 2.354
3P09 #2/B GOL 294 C2 3P09 #2/B LEU 137 N 0.291 3.229
3P09 #2/B SO4 288 O2 3P09 #2/B SER 122 CB 0.279 3.021
3CJM #1/A EDO 5 C2 3CJM #1/A PRO 248 N 0.236 3.284
3P09 #2/B GOL 294 C3 3P09 #2/B LEU 137 N 0.212 3.308
3P09 #2/B GOL 294 O1 3P09 #2/B GLN 138 CB 0.202 3.138
4EWF #3/D SO4 301 O2 4EWF #3/D SER 216 CB 0.188 3.112
4EWF #3/C SO4 301 O1 4EWF #3/C SER 110 CB 0.187 3.113
4EWF #3/D SO4 301 O2 4EWF #3/D SER 216 OG 0.169 2.311
4EWF #3/C ACY 302 CH3 4EWF #3/C HOH 455 O 0.158 3.182
3P09 #2/B SO4 288 O3 3P09 #2/B SER 61 CB 0.158 3.142
4EWF #3/C SO4 301 O3 4EWF #3/C SER 216 OG 0.147 2.333
4EWF #3/A SO4 301 O2 4EWF #3/A SER 110 CB 0.135 3.165
3CJM #1/A EDO 5 C2 3CJM #1/A PRO 248 CA 0.128 3.632
3CJM #1/A EDO 5 C2 3CJM #1/A PRO 248 CD 0.124 3.636
3P09 #2/A SO4 293 O2 3P09 #2/A LYS 50 NZ 0.115 2.545
4EWF #3/B SO4 301 O2 4EWF #3/B SER 216 CB 0.109 3.191
4EWF #3/B SO4 301 O1 4EWF #3/B SER 110 CB 0.108 3.192
3CJM #1/A EDO 6 C2 3CJM #1/A ALA 292 CB 0.103 3.657
3P09 #2/B SO4 288 O1 3P09 #2/B THR 227 CB 0.101 3.199
3CJM #1/A EDO 6 C1 3CJM #1/A ASN 288 CB 0.097 3.663
3P09 #2/B SO4 288 O4 3P09 #2/B HOH 341 O 0.088 2.392
4EWF #3/D SO4 301 O3 4EWF #3/D SER 110 CB 0.085 3.215
3CJM #1/A EDO 6 O2 3CJM #1/A GLU 243 OE2 (alt loc B) 0.079 2.401
3P09 #2/A SO4 288 O3 3P09 #2/A SER 122 CB 0.079 3.221
3P09 #2/A SO4 293 O3 3P09 #2/A TYR 39 CE2 0.073 3.107
3P09 #2/B GOL 294 C2 3P09 #2/B LEU 137 CB 0.072 3.688
3CJM #1/A NO3 1 O2 3CJM #1/A ILE 110 CG2 0.071 3.229
3CJM #1/A EDO 7 O1 3CJM #1/A GLU 243 CD (alt loc B) 0.064 3.276
3P09 #2/A SO4 294 O4 3P09 #2/A GLN 138 CG 0.063 3.237
4EWF #3/A SO4 302 O2 4EWF #3/A HIS 90 CA 0.046 3.254
4EWF #3/C ACY 302 O 4EWF #3/C GLY 147 CA 0.034 3.266
3CJM #1/A EDO 7 O1 3CJM #1/A GLU 243 OE1 (alt loc B) 0.023 2.457
4EWF #3/C ACY 302 C 4EWF #3/C GLY 147 N 0.023 3.497
4EWF #3/A SO4 301 O4 4EWF #3/A SER 216 OG 0.018 2.462
3P09 #2/B GOL 294 O1 3P09 #2/B GLN 138 CG 0.009 3.331
3CJM #1/A EDO 5 O1 3CJM #1/A GLU 246 OE1 (alt loc B) 0.002 2.478
3CJM #1/A EDO 6 C1 3CJM #1/A ASN 288 O -0.000 3.300
3CJM #1/A EDO 5 C2 3CJM #1/A THR 247 CA -0.001 3.761
4EWF #3/C SO4 301 O3 4EWF #3/C SER 216 CB -0.008 3.308
3P09 #2/A SO4 291 O3 3P09 #2/A ASP 192 CB -0.013 3.313
3P09 #2/A SO4 293 O3 3P09 #2/A TYR 39 OH -0.016 2.496
3P09 #2/A SO4 288 O4 3P09 #2/A THR 227 C -0.017 3.047
4EWF #3/B SO4 301 O2 4EWF #3/B SER 216 OG -0.017 2.497
3P09 #2/A SO4 288 O1 3P09 #2/A THR 229 CB -0.022 3.322
3P09 #2/A SO4 288 O2 3P09 #2/A SER 61 CB -0.025 3.325
4EWF #3/B SO4 301 O1 4EWF #3/B THR 214 OG1 -0.025 2.505
4EWF #3/A SO4 301 O4 4EWF #3/A SER 216 CB -0.028 3.328
3CJM #1/A EDO 3 C1 3CJM #1/A HOH 409 O -0.031 3.371
3CJM #1/A EDO 7 C2 3CJM #1/A ILE 258 CD1 -0.036 3.796
3P09 #2/A SO4 293 S 3P09 #2/A HOH 446 O -0.037 3.267
3CJM #1/A NO3 2 N 3CJM #1/A HOH 590 O -0.041 3.141
4EWF #3/D SO4 301 O3 4EWF #3/D THR 214 OG1 -0.043 2.523
3CJM #1/A EDO 6 O2 3CJM #1/A GLU 243 CD (alt loc B) -0.045 3.385
4EWF #3/B SO4 301 O2 4EWF #3/B HOH 462 O -0.058 2.538
3P09 #2/A SO4 288 O4 3P09 #2/A GLY 228 CA -0.066 3.366
3P09 #2/A SO4 289 O2 3P09 #2/B ASN 150 OD1 -0.067 2.907
4EWF #3/C ACY 302 C 4EWF #3/C LYS 146 N -0.069 3.589
4EWF #3/C ACY 302 CH3 4EWF #3/C LEU 217 CD2 -0.070 3.830
3P09 #2/B SO4 288 O1 3P09 #2/B GLY 228 CA -0.071 3.371
3P09 #2/A SO4 288 O4 3P09 #2/A THR 227 OG1 -0.081 2.561
4EWF #3/A SO4 301 O1 4EWF #3/A HOH 553 O -0.083 2.563
3P09 #2/A SO4 288 O4 3P09 #2/A THR 227 CB -0.090 3.390
3CJM #1/A EDO 6 C1 3CJM #1/A ALA 292 CB -0.096 3.856
4EWF #3/A SO4 302 O2 4EWF #3/A HIS 90 CB -0.099 3.399
3CJM #1/A EDO 5 C2 3CJM #1/A THR 247 O -0.101 3.401
3CJM #1/A NO3 2 O3 3CJM #1/A ARG 189 CB -0.101 3.401
3CJM #1/A NO3 2 O3 3CJM #1/A ARG 189 CD -0.108 3.408
3CJM #1/A EDO 6 C1 3CJM #1/A ASN 288 C -0.108 3.598
4EWF #3/C ACY 302 CH3 4EWF #3/C ALA 48 CA -0.111 3.871
3P09 #2/B SO4 288 O2 3P09 #2/B SER 122 OG -0.112 2.592
3P09 #2/A SO4 293 S 3P09 #2/A LYS 50 NZ -0.121 3.531
3CJM #1/A EDO 4 C1 3CJM #1/A HOH 584 O -0.128 3.468
4EWF #3/C SO4 301 O2 4EWF #3/C SER 49 CB -0.130 3.430
3P09 #2/A SO4 291 S 3P09 #2/A ASP 192 CB -0.130 3.780
3CJM #1/A EDO 3 O2 3CJM #1/A HOH 339 O -0.135 2.655
3CJM #1/A EDO 4 O2 3CJM #1/A GLN 193 NE2 -0.135 2.835
4EWF #3/B SO4 301 O4 4EWF #3/B SER 216 N -0.136 2.796
3P09 #2/B GOL 294 O3 3P09 #2/B GLY 136 CA -0.138 3.478
3P09 #2/A SO4 288 O1 3P09 #2/A THR 229 OG1 -0.145 2.625
4EWF #3/C SO4 301 O3 4EWF #3/C THR 214 CB -0.145 3.445
4EWF #3/A SO4 301 O1 4EWF #3/A SER 49 CB -0.147 3.447
3CJM #1/A EDO 6 O1 3CJM #1/A ASN 288 CB -0.148 3.488
4EWF #3/B SO4 301 S 4EWF #3/B HOH 462 O -0.149 3.379
3P09 #2/A SO4 293 O2 3P09 #2/A HOH 446 O -0.151 2.631
3P09 #2/B GOL 294 O3 3P09 #2/B LEU 137 CG -0.157 3.497
4EWF #3/C ACY 302 OXT 4EWF #3/C ARG 143 NH1 -0.158 2.818
3CJM #1/A NO3 2 O1 3CJM #1/A HOH 391 O -0.162 2.642
3P09 #2/A SO4 293 O3 3P09 #2/A TYR 39 CZ -0.174 3.204
4EWF #3/B SO4 301 S 4EWF #3/B THR 214 OG1 -0.174 3.404
3CJM #1/A NO3 1 O3 3CJM #1/A HOH 611 O -0.175 2.655
4EWF #3/B SO4 301 O4 4EWF #3/B SER 216 CB -0.178 3.478
3P09 #2/B GOL 294 C2 3P09 #2/B LEU 137 CA -0.179 3.939
4EWF #3/A SO4 302 S 4EWF #3/A HIS 90 ND1 -0.181 3.591
3CJM #1/A EDO 8 O2 3CJM #1/A HIS 242 N -0.182 2.882
3CJM #1/A NO3 1 O1 3CJM #1/A SER 108 CA -0.183 3.483
3CJM #1/A EDO 5 O1 3CJM #1/A GLU 246 CD (alt loc B) -0.185 3.525
4EWF #3/D SO4 301 O1 4EWF #3/D SER 49 CB -0.188 3.488
4EWF #3/A SO4 301 S 4EWF #3/A HOH 553 O -0.189 3.419
3P09 #2/A SO4 288 O2 3P09 #2/A HOH 403 O -0.190 2.670
3P09 #2/B GOL 294 O1 3P09 #2/B GLN 138 N -0.191 2.891
4EWF #3/A SO4 301 O2 4EWF #3/A THR 214 OG1 -0.191 2.671
3CJM #1/A NO3 2 N 3CJM #1/A ARG 189 CB -0.192 3.712
3CJM #1/A EDO 5 C2 3CJM #1/A PRO 248 CG -0.195 3.955
4EWF #3/C SO4 301 O1 4EWF #3/C THR 214 OG1 -0.196 2.676
3P09 #2/A SO4 293 O1 3P09 #2/A ASN 48 OD1 -0.201 3.041
3CJM #1/A EDO 7 C1 3CJM #1/A PHE 241 CD1 -0.205 3.845
3P09 #2/B SO4 288 O1 3P09 #2/B THR 227 OG1 -0.207 2.687
4EWF #3/A SO4 302 O2 4EWF #3/A HIS 90 CE1 -0.207 3.387
3CJM #1/A EDO 3 C2 3CJM #1/A HOH 339 O -0.208 3.548
3CJM #1/A EDO 4 O1 3CJM #1/A HOH 584 O -0.209 2.729
4EWF #3/B SO4 301 S 4EWF #3/B SER 216 CB -0.211 3.861
4EWF #3/A SO4 302 O2 4EWF #3/A HIS 90 CG -0.213 3.243
4EWF #3/C SO4 301 S 4EWF #3/C SER 216 OG -0.213 3.443
4EWF #3/C ACY 302 C 4EWF #3/C MSE 145 CA -0.215 3.975
4EWF #3/C SO4 301 O1 4EWF #3/C LYS 213 NZ -0.216 2.876
3CJM #1/A NO3 2 O2 3CJM #1/A HOH 590 O -0.222 2.702
3P09 #2/A SO4 293 O3 3P09 #2/A LYS 176 CE -0.225 3.525
4EWF #3/C ACY 302 C 4EWF #3/C LEU 217 CD2 -0.226 3.986
3P09 #2/B SO4 292 S 3P09 #2/B TYR 39 OH -0.228 3.458
3P09 #2/A SO4 288 O4 3P09 #2/A THR 227 O -0.228 3.068
3CJM #1/A EDO 8 O1 3CJM #1/A GLU 243 OE1 (alt loc B) -0.234 2.714
3P09 #2/B GOL 294 O3 3P09 #2/B LEU 137 N -0.236 2.936
4EWF #3/B SO4 301 O2 4EWF #3/B THR 214 CB -0.236 3.536
3CJM #1/A EDO 8 C1 3CJM #1/A GLU 243 OE1 (alt loc B) -0.238 3.538
4EWF #3/A SO4 301 O4 4EWF #3/A HOH 570 O -0.245 2.725
3P09 #2/A SO4 293 S 3P09 #2/A TYR 39 OH -0.245 3.475
3P09 #2/B GOL 294 O1 3P09 #2/B GLN 138 CA -0.247 3.587
4EWF #3/C ACY 302 C 4EWF #3/C ARG 143 NH1 -0.247 3.767
3P09 #2/A SO4 288 O1 3P09 #2/A HOH 500 O -0.249 2.729
3CJM #1/A EDO 3 C2 3CJM #1/A HOH 392 O -0.251 3.591
3CJM #1/A EDO 5 O2 3CJM #1/A THR 247 CA -0.253 3.593
3CJM #1/A EDO 3 O2 3CJM #1/A LYS 77 CG -0.257 3.597
4EWF #3/D SO4 301 O3 4EWF #3/D THR 214 CB -0.257 3.557
3P09 #2/A SO4 288 O3 3P09 #2/A SER 122 OG -0.258 2.738
4EWF #3/C ACY 302 OXT 4EWF #3/C LYS 146 N -0.262 2.922
4EWF #3/C SO4 301 S 4EWF #3/C THR 214 OG1 -0.266 3.496
3P09 #2/A SO4 291 O2 3P09 #2/A ASP 192 CB -0.267 3.567
4EWF #3/C ACY 302 C 4EWF #3/C GLY 147 CA -0.267 4.027
4EWF #3/C ACY 302 O 4EWF #3/C GLY 147 N -0.270 2.930
4EWF #3/B SO4 301 O4 4EWF #3/B SER 49 CB -0.271 3.571
3CJM #1/A NO3 1 O2 3CJM #1/A LYS 174 CE -0.271 3.571
3P09 #2/A SO4 294 O4 3P09 #2/A GLN 138 CB -0.272 3.572
4EWF #3/A SO4 301 S 4EWF #3/A SER 110 CB -0.272 3.922
4EWF #3/A SO4 301 S 4EWF #3/A HOH 570 O -0.272 3.502
3P09 #2/B GOL 294 C2 3P09 #2/B GLY 136 CA -0.273 4.033
4EWF #3/B SO4 301 O1 4EWF #3/B THR 214 CB -0.274 3.574
3CJM #1/A EDO 7 C2 3CJM #1/A THR 145 CG2 -0.277 4.037
4EWF #3/D SO4 301 S 4EWF #3/D SER 110 CB -0.278 3.928
3P09 #2/A SO4 293 O3 3P09 #2/A HOH 446 O -0.279 2.759
4EWF #3/A SO4 301 O1 4EWF #3/A GLY 215 CA -0.281 3.581
4EWF #3/D SO4 301 S 4EWF #3/D SER 216 CB -0.282 3.932
4EWF #3/C ACY 302 OXT 4EWF #3/C ARG 148 O -0.285 3.125
4EWF #3/B SO4 301 O4 4EWF #3/B SER 216 CA -0.287 3.587
4EWF #3/B SO4 301 S 4EWF #3/B SER 110 CB -0.289 3.939
3CJM #1/A EDO 8 O1 3CJM #1/A GLU 243 CD (alt loc B) -0.290 3.630
3CJM #1/A NO3 1 N 3CJM #1/A SER 108 CA -0.290 3.810
4EWF #3/C SO4 301 S 4EWF #3/C SER 110 CB -0.291 3.941
3P09 #2/A SO4 289 O3 3P09 #2/B ASN 150 CB -0.292 3.592
3P09 #2/B SO4 288 O1 3P09 #2/B THR 227 C -0.300 3.330
3P09 #2/B SO4 292 O3 3P09 #2/B LYS 176 CE -0.302 3.602
3CJM #1/A EDO 4 C2 3CJM #1/A GLN 193 NE2 -0.302 3.822
4EWF #3/B SO4 301 O1 4EWF #3/B LYS 213 NZ -0.304 2.964
4EWF #3/D SO4 301 S 4EWF #3/D THR 214 OG1 -0.305 3.535
3CJM #1/A EDO 8 C2 3CJM #1/A HIS 242 N -0.305 3.825
3P09 #2/A SO4 288 S 3P09 #2/A SER 122 OG -0.305 3.535
3P09 #2/A SO4 293 O1 3P09 #2/A LYS 50 CD -0.306 3.606
4EWF #3/C SO4 301 O2 4EWF #3/C SER 216 N -0.306 2.966
3CJM #1/A EDO 8 O1 3CJM #1/A PHE 241 CA -0.309 3.649
3CJM #1/A EDO 3 C1 3CJM #1/A VAL 76 CG2 -0.311 4.071
4EWF #3/C SO4 301 S 4EWF #3/C HOH 475 O -0.312 3.542
3CJM #1/A EDO 8 C1 3CJM #1/A HIS 242 N -0.312 3.832
3CJM #1/A EDO 7 C1 3CJM #1/A GLU 243 CD (alt loc B) -0.313 4.073
4EWF #3/D SO4 301 S 4EWF #3/D SER 216 OG -0.314 3.544
3CJM #1/A EDO 6 C2 3CJM #1/A GLU 243 OE2 (alt loc B) -0.314 3.614
3CJM #1/A EDO 8 O2 3CJM #1/A HIS 242 CB -0.314 3.654
3CJM #1/A EDO 7 C2 3CJM #1/A PHE 241 CD1 -0.315 3.955
3CJM #1/A NO3 1 O2 3CJM #1/A LYS 111 CE -0.319 3.619
3P09 #2/A SO4 293 O2 3P09 #2/A LYS 50 CE -0.325 3.625
4EWF #3/B SO4 301 O4 4EWF #3/B GLY 215 CA -0.329 3.629
3CJM #1/A NO3 1 O2 3CJM #1/A LYS 174 CG -0.330 3.630
4EWF #3/C ACY 302 C 4EWF #3/C ARG 148 N -0.337 3.857
4EWF #3/A SO4 301 O2 4EWF #3/A LYS 213 NZ -0.338 2.998
3P09 #2/B SO4 288 S 3P09 #2/B THR 229 OG1 -0.341 3.571
4EWF #3/C SO4 301 S 4EWF #3/C SER 216 N -0.343 3.753
4EWF #3/C SO4 301 S 4EWF #3/C SER 216 CB -0.345 3.995
4EWF #3/D SO4 301 S 4EWF #3/D HOH 408 O -0.346 3.576
3CJM #1/A NO3 1 N 3CJM #1/A ILE 110 CG2 -0.346 3.866
3CJM #1/A EDO 7 O2 3CJM #1/A HOH 545 O -0.348 2.868
3P09 #2/A SO4 288 S 3P09 #2/A THR 229 OG1 -0.350 3.580
3P09 #2/B GOL 294 O3 3P09 #2/B LEU 137 CB -0.353 3.693
3CJM #1/A NO3 2 O2 3CJM #1/A GLN 193 OE1 -0.353 3.193
3P09 #2/A SO4 291 O2 3P09 #2/A ASP 192 CA -0.356 3.656
3CJM #1/A EDO 8 C1 3CJM #1/A GLU 243 CB (alt loc B) -0.360 4.120
4EWF #3/A SO4 302 O1 4EWF #3/C GLU 156 CB -0.360 3.660
4EWF #3/C ACY 302 CH3 4EWF #3/C ARG 143 NH2 -0.360 3.880
3CJM #1/A EDO 8 C1 3CJM #1/A GLU 243 CD (alt loc B) -0.362 4.122
4EWF #3/A SO4 301 O1 4EWF #3/A SER 216 N -0.362 3.022
4EWF #3/B SO4 301 S 4EWF #3/B SER 216 N -0.365 3.775
3P09 #2/A SO4 288 O2 3P09 #2/A THR 229 CB -0.367 3.667
3CJM #1/A EDO 3 C1 3CJM #1/A HOH 375 O -0.369 3.709
4EWF #3/D SO4 301 O2 4EWF #3/D THR 214 CB -0.370 3.670
3CJM #1/A NO3 2 O1 3CJM #1/A HOH 590 O -0.370 2.850
3P09 #2/B SO4 288 O4 3P09 #2/B THR 229 CB -0.371 3.671
4EWF #3/A SO4 301 S 4EWF #3/A THR 214 OG1 -0.373 3.603
4EWF #3/D SO4 301 S 4EWF #3/D SER 216 N -0.374 3.784
3P09 #2/A SO4 288 S 3P09 #2/A SER 61 CB -0.376 4.026
3CJM #1/A NO3 1 O1 3CJM #1/A LYS 111 CE -0.377 3.677
4EWF #3/A SO4 301 O4 4EWF #3/A THR 214 CB -0.377 3.677
3CJM #1/A EDO 8 O2 3CJM #1/A PHE 241 CA -0.379 3.719
3CJM #1/A EDO 8 O2 3CJM #1/A HIS 242 CA -0.379 3.719
4EWF #3/C SO4 301 O2 4EWF #3/C GLY 215 CA -0.387 3.687
4EWF #3/B SO4 301 O3 4EWF #3/B SER 110 CB -0.392 3.692
4EWF #3/B SO4 301 S 4EWF #3/B SER 216 OG -0.393 3.623
3P09 #2/A SO4 293 O2 3P09 #2/A LYS 50 CD -0.394 3.694
4EWF #3/D SO4 301 O3 4EWF #3/D LYS 213 NZ -0.396 3.056
3P09 #2/B GOL 294 C3 3P09 #2/B GLY 136 C -0.398 3.888
3P09 #2/A SO4 291 S 3P09 #2/A ASP 192 CA -0.401 4.051
4EWF #3/A SO4 301 S 4EWF #3/A SER 216 OG -0.401 3.631
4EWF #3/D SO4 301 O1 4EWF #3/D SER 216 N -0.401 3.061
4EWF #3/C SO4 301 O1 4EWF #3/C THR 214 CB -0.401 3.701
3P09 #2/A SO4 288 O2 3P09 #2/A THR 229 N -0.402 3.062
3P09 #2/A SO4 293 S 3P09 #2/A LYS 50 CD -0.403 4.053
3CJM #1/A EDO 8 O1 3CJM #1/A PHE 241 CB -0.404 3.744
4EWF #3/C SO4 301 O2 4EWF #3/C SER 216 CB -0.407 3.707
3P09 #2/B SO4 288 S 3P09 #2/B THR 227 OG1 -0.407 3.637
3CJM #1/A EDO 5 O1 3CJM #1/A GLN 251 CB (alt loc A) -0.408 3.748
3CJM #1/A EDO 5 C1 3CJM #1/A GLU 246 OE1 (alt loc B) -0.408 3.708
3P09 #2/B GOL 294 C1 3P09 #2/B LEU 137 N -0.410 3.930
3CJM #1/A NO3 1 O2 3CJM #1/A LYS 174 CD -0.412 3.712
3P09 #2/A SO4 288 S 3P09 #2/A THR 229 N -0.416 3.826
3CJM #1/A NO3 1 O1 3CJM #1/A SER 108 OG -0.418 2.898
3P09 #2/A SO4 288 S 3P09 #2/A THR 229 CB -0.418 4.068
4EWF #3/A SO4 301 O2 4EWF #3/A THR 214 CB -0.419 3.719
3P09 #2/B SO4 288 O1 3P09 #2/B GLY 228 C -0.420 3.450
3CJM #1/A EDO 7 C1 3CJM #1/A ILE 258 CD1 -0.426 4.186
4EWF #3/C SO4 301 O3 4EWF #3/C GLY 215 CA -0.428 3.728
3P09 #2/A SO4 291 O1 3P09 #2/A ASP 192 CA -0.429 3.729
3P09 #2/A SO4 294 S 3P09 #2/A LEU 137 N -0.429 3.839
4EWF #3/D SO4 301 O1 4EWF #3/D SER 216 CB -0.435 3.735
3P09 #2/A SO4 288 O4 3P09 #2/A SER 61 CB -0.436 3.736
3P09 #2/A SO4 289 S 3P09 #2/A LYS 35 NZ -0.437 3.847
4EWF #3/A SO4 302 O3 4EWF #3/C TRP 158 CZ2 -0.437 3.617
4EWF #3/A SO4 302 O1 4EWF #3/C GLU 156 N -0.439 3.099
4EWF #3/A SO4 301 S 4EWF #3/A SER 216 CB -0.440 4.090
3CJM #1/A EDO 5 C1 3CJM #1/A GLN 251 OE1 (alt loc A) -0.441 3.741
3P09 #2/B SO4 288 S 3P09 #2/B THR 229 CB -0.448 4.098
3CJM #1/A NO3 1 O1 3CJM #1/A SER 108 CB -0.448 3.748
3CJM #1/A NO3 2 O3 3CJM #1/A GLN 193 OE1 -0.449 3.289
4EWF #3/C SO4 301 O3 4EWF #3/C HOH 475 O -0.451 2.931
4EWF #3/A SO4 301 S 4EWF #3/A SER 216 N -0.452 3.862
4EWF #3/C ACY 302 OXT 4EWF #3/C LYS 146 CA -0.453 3.753
4EWF #3/C SO4 301 S 4EWF #3/C GLY 215 CA -0.453 4.103
3P09 #2/B SO4 288 S 3P09 #2/B THR 229 N -0.454 3.864
3P09 #2/B SO4 288 S 3P09 #2/B HOH 442 O -0.455 3.685
4EWF #3/A SO4 301 O3 4EWF #3/A SER 110 CB -0.455 3.755
3CJM #1/A EDO 7 C2 3CJM #1/A HOH 545 O -0.456 3.796
3P09 #2/A SO4 294 S 3P09 #2/A GLN 138 CG -0.457 4.107
3P09 #2/B GOL 294 O1 3P09 #2/B GLY 136 CA -0.458 3.798
3P09 #2/B SO4 288 S 3P09 #2/B SER 122 OG -0.459 3.689
3P09 #2/B GOL 294 C1 3P09 #2/B GLN 138 CG -0.459 4.219
4EWF #3/C SO4 301 O3 4EWF #3/C GLY 215 C -0.463 3.493
3P09 #2/A SO4 288 S 3P09 #2/A THR 227 OG1 -0.463 3.693
4EWF #3/C ACY 302 OXT 4EWF #3/C MSE 145 CA -0.465 3.765
3P09 #2/B GOL 294 C1 3P09 #2/B GLY 136 CA -0.469 4.229
3P09 #2/A SO4 294 O4 3P09 #2/A GLN 138 N -0.471 3.131
3P09 #2/A SO4 288 O4 3P09 #2/A THR 227 CA -0.472 3.772
3CJM #1/A EDO 4 C2 3CJM #1/A ARG 189 CD -0.472 4.232
4EWF #3/C ACY 302 CH3 4EWF #3/C ARG 143 NH1 -0.473 3.993
4EWF #3/C ACY 302 CH3 4EWF #3/C ALA 48 C -0.473 3.963
3P09 #2/B SO4 288 O3 3P09 #2/B GLY 228 CA -0.475 3.775
3CJM #1/A EDO 6 C1 3CJM #1/A ASN 288 CA -0.476 4.236
3CJM #1/A EDO 7 C2 3CJM #1/A PHE 241 CE1 -0.482 4.122
4EWF #3/D SO4 301 O1 4EWF #3/D GLY 215 CA -0.482 3.782
4EWF #3/D SO4 301 O2 4EWF #3/D HOH 408 O -0.482 2.962
3CJM #1/A NO3 1 O3 3CJM #1/A ALA 107 O -0.484 3.324
3P09 #2/A SO4 289 S 3P09 #2/B ASN 150 OD1 -0.487 3.677
4EWF #3/C SO4 301 O2 4EWF #3/C SER 216 CA -0.487 3.787
3P09 #2/A SO4 289 O3 3P09 #2/B ASN 150 OD1 -0.489 3.329
4EWF #3/C SO4 301 O1 4EWF #3/C SER 110 OG -0.489 2.969
3CJM #1/A EDO 5 C2 3CJM #1/A GLU 246 CG (alt loc B) -0.490 4.250
3P09 #2/A SO4 289 O3 3P09 #2/B HOH 309 O -0.491 2.971
3CJM #1/A EDO 8 C1 3CJM #1/A GLU 243 CG (alt loc B) -0.491 4.251
3CJM #1/A EDO 6 C1 3CJM #1/A ALA 289 CA -0.491 4.251
3P09 #2/A SO4 288 S 3P09 #2/A GLY 228 CA -0.491 4.141
3P09 #2/A SO4 291 O1 3P09 #2/A LYS 193 N -0.494 3.154
3CJM #1/A EDO 3 C2 3CJM #1/A VAL 76 CG2 -0.494 4.254
4EWF #3/D SO4 301 O4 4EWF #3/D SER 110 CB -0.495 3.795
3CJM #1/A EDO 6 C1 3CJM #1/A ALA 289 N -0.496 4.016
3CJM #1/A EDO 5 O2 3CJM #1/A PRO 248 CD -0.498 3.838
4EWF #3/A SO4 301 S 4EWF #3/A GLY 215 CA -0.500 4.150
3P09 #2/B GOL 294 C1 3P09 #2/B GLN 138 N -0.501 4.021
3CJM #1/A NO3 2 N 3CJM #1/A ARG 189 CD -0.502 4.022
3P09 #2/A SO4 293 O1 3P09 #2/A LYS 50 CE -0.505 3.805
3P09 #2/A SO4 289 O4 3P09 #2/A HOH 509 O -0.510 2.990
4EWF #3/B SO4 301 O4 4EWF #3/B GLY 215 C -0.511 3.541
3P09 #2/B SO4 288 S 3P09 #2/B SER 61 CB -0.511 4.161
3CJM #1/A NO3 1 N 3CJM #1/A LYS 174 CE -0.511 4.031
4EWF #3/B SO4 301 S 4EWF #3/B THR 214 CB -0.513 4.163
4EWF #3/C SO4 301 O1 4EWF #3/C SER 49 CB -0.513 3.813
3P09 #2/A SO4 288 O2 3P09 #2/A THR 229 CA -0.514 3.814
4EWF #3/A SO4 301 O1 4EWF #3/A SER 216 CB -0.517 3.817
4EWF #3/C ACY 302 C 4EWF #3/C MSE 145 CB -0.518 4.278
4EWF #3/A SO4 302 S 4EWF #3/C TRP 158 NE1 -0.520 3.930
3P09 #2/B SO4 292 O4 3P09 #2/B LYS 50 CD -0.524 3.824
3CJM #1/A EDO 3 C1 3CJM #1/A HOH 353 O -0.524 3.864
3P09 #2/B SO4 288 O1 3P09 #2/B THR 229 OG1 -0.525 3.005
4EWF #3/C ACY 302 C 4EWF #3/C ARG 148 O -0.531 3.831
3P09 #2/A SO4 288 O2 3P09 #2/A GLY 228 CA -0.531 3.831
3CJM #1/A EDO 8 O2 3CJM #1/A HIS 242 CD2 -0.531 3.751
3P09 #2/B GOL 294 C2 3P09 #2/B GLY 136 C -0.534 4.024
4EWF #3/C SO4 301 O4 4EWF #3/C SER 110 CB -0.536 3.836
3P09 #2/A SO4 289 S 3P09 #2/B HOH 309 O -0.536 3.766
3P09 #2/B SO4 288 O3 3P09 #2/B THR 229 N -0.537 3.197
3P09 #2/B GOL 294 C3 3P09 #2/B LEU 137 CB -0.539 4.299
4EWF #3/D SO4 301 O2 4EWF #3/D SER 216 CA -0.539 3.839
3CJM #1/A NO3 1 N 3CJM #1/A ALA 107 O -0.541 3.601
3P09 #2/B SO4 292 O3 3P09 #2/B TYR 39 CE2 -0.542 3.722
3CJM #1/A EDO 5 O2 3CJM #1/A THR 247 C -0.543 3.613
3P09 #2/A SO4 289 O1 3P09 #2/A LYS 35 NZ -0.544 3.204
3P09 #2/A SO4 293 O1 3P09 #2/A ASN 48 CG -0.544 3.574
3P09 #2/B GOL 294 C2 3P09 #2/B GLN 138 N -0.545 4.065
4EWF #3/C SO4 301 S 4EWF #3/C SER 110 OG -0.548 3.778
3CJM #1/A NO3 2 O2 3CJM #1/A GLU 190 CG -0.549 3.849
3P09 #2/B SO4 288 O3 3P09 #2/B SER 61 OG -0.550 3.030
3P09 #2/B SO4 292 O3 3P09 #2/B LYS 176 CD -0.550 3.850
3CJM #1/A NO3 2 O1 3CJM #1/A ARG 189 CD -0.551 3.851
3P09 #2/B SO4 288 S 3P09 #2/B GLY 228 CA -0.552 4.202
3CJM #1/A EDO 3 C1 3CJM #1/A VAL 76 O -0.552 3.852
3P09 #2/A SO4 291 O1 3P09 #2/A ASP 192 CB -0.555 3.855
3P09 #2/B GOL 294 O3 3P09 #2/B LEU 137 CA -0.556 3.896
3P09 #2/A SO4 294 O2 3P09 #2/A GLN 138 CG -0.556 3.856
4EWF #3/C ACY 302 OXT 4EWF #3/C ARG 143 CZ -0.559 3.589
3P09 #2/B SO4 288 O3 3P09 #2/B HOH 376 O -0.560 3.040
4EWF #3/D SO4 301 O1 4EWF #3/D SER 216 CA -0.560 3.860
3CJM #1/A EDO 3 C1 3CJM #1/A HOH 392 O -0.562 3.902
3CJM #1/A NO3 2 O2 3CJM #1/A HOH 530 O -0.564 3.044
4EWF #3/D SO4 301 S 4EWF #3/D GLY 215 CA -0.564 4.214
3P09 #2/B GOL 294 C2 3P09 #2/B LEU 137 CG -0.568 4.328
4EWF #3/A SO4 302 O1 4EWF #3/C TRP 158 NE1 -0.568 3.228
4EWF #3/C SO4 301 S 4EWF #3/C THR 214 CB -0.569 4.219
4EWF #3/A SO4 301 O2 4EWF #3/A THR 214 O -0.571 3.411
3CJM #1/A NO3 2 O3 3CJM #1/A ARG 189 CG -0.573 3.873
3P09 #2/B GOL 294 O1 3P09 #2/B GLY 136 C -0.578 3.648
4EWF #3/D SO4 301 O2 4EWF #3/D GLY 215 CA -0.583 3.883
3CJM #1/A NO3 1 O3 3CJM #1/A ILE 110 CG2 -0.583 3.883
3P09 #2/A SO4 288 O4 3P09 #2/A GLY 228 N -0.583 3.243
3CJM #1/A EDO 4 C1 3CJM #1/A GLN 193 NE2 -0.585 4.105
4EWF #3/D SO4 301 S 4EWF #3/D SER 110 OG -0.586 3.816
4EWF #3/A SO4 301 O1 4EWF #3/A SER 216 CA -0.588 3.888
3P09 #2/A SO4 294 O4 3P09 #2/A GLY 136 CA -0.588 3.888
4EWF #3/D SO4 301 O3 4EWF #3/D THR 214 C -0.590 3.620
4EWF #3/D SO4 301 O2 4EWF #3/D GLY 215 C -0.590 3.620
3CJM #1/A NO3 1 N 3CJM #1/A ALA 107 C -0.592 3.842
3CJM #1/A EDO 3 O1 3CJM #1/A HOH 409 O -0.593 3.113
4EWF #3/C ACY 302 OXT 4EWF #3/C LYS 146 CB -0.596 3.896
3P09 #2/A SO4 294 O4 3P09 #2/A HOH 316 O -0.597 3.077
3P09 #2/A SO4 294 O1 3P09 #2/A GLY 136 CA -0.599 3.899
4EWF #3/A SO4 302 O4 4EWF #3/C GLU 156 CB -0.600 3.900
3CJM #1/A NO3 1 O2 3CJM #1/A LYS 111 CG -0.601 3.901
4EWF #3/C SO4 301 S 4EWF #3/C SER 49 CB -0.602 4.252
3CJM #1/A NO3 1 O3 3CJM #1/A ALA 107 C -0.603 3.633
4EWF #3/B SO4 301 O1 4EWF #3/B THR 214 O -0.605 3.445
4EWF #3/D SO4 301 O3 4EWF #3/D THR 214 O -0.605 3.445
3P09 #2/B SO4 288 S 3P09 #2/B HOH 341 O -0.607 3.837
4EWF #3/A SO4 301 O4 4EWF #3/A GLY 215 CA -0.609 3.909
3P09 #2/B SO4 288 O1 3P09 #2/B GLY 228 N -0.609 3.269
3CJM #1/A NO3 2 N 3CJM #1/A GLN 193 OE1 -0.612 3.672
3P09 #2/B GOL 294 O3 3P09 #2/B VAL 131 CG1 -0.612 3.952
4EWF #3/A SO4 302 O1 4EWF #3/C GLU 156 CA -0.612 3.912
3P09 #2/B SO4 292 O4 3P09 #2/B ASN 48 OD1 -0.613 3.453
3P09 #2/B SO4 288 O1 3P09 #2/B THR 227 CA -0.616 3.916
3P09 #2/B SO4 288 O4 3P09 #2/B HOH 442 O -0.616 3.096
3CJM #1/A NO3 1 N 3CJM #1/A HOH 432 O -0.617 3.717
4EWF #3/A SO4 302 S 4EWF #3/C TRP 158 CZ2 -0.620 4.150
3P09 #2/B SO4 288 O2 3P09 #2/B HOH 442 O -0.621 3.101
4EWF #3/C ACY 302 CH3 4EWF #3/C LEU 217 CD1 -0.622 4.382
3P09 #2/B GOL 294 C3 3P09 #2/B LEU 137 CA -0.623 4.383
4EWF #3/D SO4 301 S 4EWF #3/D THR 214 CB -0.623 4.273
3P09 #2/B GOL 294 C1 3P09 #2/B GLN 138 CB -0.628 4.388
3CJM #1/A NO3 1 N 3CJM #1/A LYS 111 CE -0.629 4.149
3CJM #1/A EDO 8 O1 3CJM #1/A GLU 243 CG (alt loc B) -0.629 3.969
3P09 #2/A SO4 294 O4 3P09 #2/A LEU 137 N -0.630 3.290
3P09 #2/B SO4 292 S 3P09 #2/B LYS 50 NZ -0.630 4.040
3CJM #1/A EDO 5 C2 3CJM #1/A GLN 251 CB (alt loc A) -0.631 4.391
3P09 #2/B GOL 294 O3 3P09 #2/B GLY 136 C -0.634 3.704
3CJM #1/A EDO 3 O2 3CJM #1/A LYS 77 CA -0.635 3.975
4EWF #3/A SO4 301 S 4EWF #3/A SER 110 OG -0.635 3.865
3CJM #1/A EDO 4 O2 3CJM #1/A GLN 193 CD -0.636 3.706
3P09 #2/B SO4 288 O1 3P09 #2/B THR 229 CB -0.637 3.937
4EWF #3/C SO4 301 O1 4EWF #3/C THR 214 C -0.637 3.667
3CJM #1/A EDO 3 C1 3CJM #1/A VAL 76 CB -0.639 4.399
4EWF #3/C SO4 301 O2 4EWF #3/C GLY 215 C -0.640 3.670
3CJM #1/A NO3 2 O1 3CJM #1/A ARG 189 CB -0.641 3.941
4EWF #3/B SO4 301 S 4EWF #3/B GLY 215 CA -0.641 4.291
4EWF #3/C SO4 301 O3 4EWF #3/C SER 216 CA -0.645 3.945
3CJM #1/A EDO 5 C2 3CJM #1/A GLU 246 OE1 (alt loc B) -0.646 3.946
3P09 #2/A SO4 294 O4 3P09 #2/A GLN 138 CA -0.646 3.946
4EWF #3/D SO4 301 O4 4EWF #3/D SER 85 CB -0.646 3.946
4EWF #3/D SO4 301 O1 4EWF #3/D HOH 454 O -0.647 3.127
4EWF #3/A SO4 301 O1 4EWF #3/A GLY 215 C -0.648 3.678
3P09 #2/A SO4 293 S 3P09 #2/A LYS 50 CE -0.648 4.298
3P09 #2/B SO4 292 O4 3P09 #2/B LYS 50 CE -0.650 3.950
4EWF #3/B SO4 301 O3 4EWF #3/B SER 85 CB -0.651 3.951
3CJM #1/A EDO 6 C1 3CJM #1/A ILE 265 CD1 -0.652 4.412
4EWF #3/A SO4 301 O2 4EWF #3/A SER 49 CB -0.652 3.952
4EWF #3/C ACY 302 OXT 4EWF #3/C GLY 147 N -0.654 3.314
4EWF #3/B SO4 301 O1 4EWF #3/B THR 214 C -0.654 3.684
3P09 #2/B SO4 292 O3 3P09 #2/B LYS 176 NZ -0.656 3.316
3CJM #1/A EDO 8 C1 3CJM #1/A PHE 241 CA -0.658 4.418
3CJM #1/A EDO 5 C2 3CJM #1/A THR 247 N -0.659 4.179
3P09 #2/A SO4 288 S 3P09 #2/A SER 122 CB -0.659 4.309
4EWF #3/C ACY 302 C 4EWF #3/C ARG 143 NH2 -0.660 4.180
4EWF #3/A SO4 302 O1 4EWF #3/C PRO 155 CA -0.661 3.961
3P09 #2/B SO4 288 O3 3P09 #2/B THR 229 CB -0.663 3.963
3CJM #1/A EDO 7 C2 3CJM #1/A HOH 357 O -0.663 4.003
3P09 #2/B GOL 294 O3 3P09 #2/B LEU 137 CD1 -0.667 4.007
3P09 #2/A SO4 291 O2 3P09 #2/A HOH 433 O -0.670 3.150
4EWF #3/A SO4 301 O2 4EWF #3/A SER 110 OG -0.671 3.151
4EWF #3/B SO4 301 S 4EWF #3/B SER 110 OG -0.671 3.901
4EWF #3/D SO4 301 O2 4EWF #3/D SER 216 N -0.673 3.333
4EWF #3/A SO4 301 O2 4EWF #3/A THR 214 C -0.674 3.704
3P09 #2/B SO4 292 O2 3P09 #2/B TYR 39 OH -0.674 3.154
4EWF #3/B SO4 301 O1 4EWF #3/B SER 49 CB -0.675 3.975
4EWF #3/A SO4 301 O4 4EWF #3/A GLY 215 C -0.675 3.705
4EWF #3/D SO4 301 O3 4EWF #3/D SER 110 OG -0.675 3.155
3CJM #1/A EDO 5 C2 3CJM #1/A PRO 248 CB -0.677 4.437
4EWF #3/C SO4 301 O1 4EWF #3/C THR 214 O -0.679 3.519
4EWF #3/D SO4 301 O1 4EWF #3/D SER 49 OG -0.683 3.163
4EWF #3/A SO4 301 S 4EWF #3/A THR 214 CB -0.685 4.335
4EWF #3/A SO4 301 O1 4EWF #3/A SER 49 OG -0.686 3.166
3P09 #2/A SO4 288 S 3P09 #2/A HOH 500 O -0.686 3.916
4EWF #3/C SO4 301 O3 4EWF #3/C THR 214 OG1 -0.688 3.168
4EWF #3/C ACY 302 O 4EWF #3/C MSE 145 CB -0.691 3.991
3P09 #2/A SO4 291 O1 3P09 #2/A LYS 193 CB -0.691 3.991
3CJM #1/A EDO 3 O2 3CJM #1/A VAL 76 CG2 -0.695 4.035
4EWF #3/C ACY 302 CH3 4EWF #3/C LEU 217 CG -0.697 4.457
3P09 #2/A SO4 288 O2 3P09 #2/A SER 61 OG -0.699 3.179
3CJM #1/A EDO 6 O2 3CJM #1/A ALA 292 CB -0.702 4.042
3CJM #1/A EDO 8 O2 3CJM #1/A PHE 241 C -0.702 3.772
3P09 #2/A SO4 293 S 3P09 #2/A TYR 39 CE2 -0.704 4.234
4EWF #3/D SO4 301 O3 4EWF #3/D SER 49 CB -0.704 4.004
4EWF #3/B SO4 301 O2 4EWF #3/B SER 216 CA -0.707 4.007
4EWF #3/A SO4 301 S 4EWF #3/A SER 49 CB -0.707 4.357
4EWF #3/B SO4 301 O2 4EWF #3/B THR 214 OG1 -0.708 3.188
4EWF #3/A SO4 301 O3 4EWF #3/A HOH 553 O -0.709 3.189
4EWF #3/C SO4 301 O3 4EWF #3/C SER 216 N -0.710 3.370
3P09 #2/A SO4 288 O3 3P09 #2/A HOH 487 O -0.711 3.191
3CJM #1/A EDO 5 C2 3CJM #1/A GLU 246 CD (alt loc B) -0.714 4.474
3CJM #1/A NO3 1 N 3CJM #1/A SER 108 N -0.715 3.995
3CJM #1/A EDO 5 C1 3CJM #1/A GLN 251 CB (alt loc A) -0.718 4.478
3CJM #1/A EDO 3 C2 3CJM #1/A HOH 427 O -0.719 4.059
4EWF #3/B SO4 301 O1 4EWF #3/B SER 110 OG -0.720 3.200
3P09 #2/A SO4 293 O1 3P09 #2/A LYS 50 NZ -0.721 3.381
3P09 #2/A SO4 294 O1 3P09 #2/A LEU 137 N -0.722 3.382
3P09 #2/A SO4 294 O2 3P09 #2/A LEU 137 CB -0.722 4.022
3CJM #1/A EDO 8 O1 3CJM #1/A PHE 241 CD1 -0.725 3.945
3CJM #1/A EDO 3 C1 3CJM #1/A HOH 502 O -0.728 4.068
3P09 #2/B GOL 294 O1 3P09 #2/B LEU 137 N -0.729 3.429
4EWF #3/A SO4 302 S 4EWF #3/C GLU 156 CB -0.730 4.380
3P09 #2/A SO4 294 O4 3P09 #2/A LEU 137 CA -0.732 4.032
3P09 #2/A SO4 289 O3 3P09 #2/A LYS 35 NZ -0.732 3.392
3CJM #1/A NO3 1 O3 3CJM #1/A HOH 432 O -0.732 3.212
4EWF #3/D SO4 301 S 4EWF #3/D SER 49 CB -0.733 4.383
3CJM #1/A EDO 4 O1 3CJM #1/A THR 199 CG2 -0.734 4.074
3CJM #1/A EDO 5 O2 3CJM #1/A PRO 248 N -0.736 3.836
3P09 #2/A SO4 293 O3 3P09 #2/A LYS 176 CD -0.738 4.038
3CJM #1/A NO3 2 O3 3CJM #1/A GLN 193 CD -0.740 3.770
3P09 #2/A SO4 294 O4 3P09 #2/A GLY 136 C -0.741 3.771
3P09 #2/A SO4 291 S 3P09 #2/A LYS 193 N -0.742 4.152
3P09 #2/B GOL 294 O1 3P09 #2/B LEU 137 CA -0.742 4.082
4EWF #3/A SO4 301 O4 4EWF #3/A SER 216 CA -0.744 4.044
3P09 #2/A SO4 294 S 3P09 #2/A LEU 137 CB -0.746 4.396
3P09 #2/B SO4 288 S 3P09 #2/B SER 122 CB -0.747 4.397
4EWF #3/B SO4 301 O4 4EWF #3/B SER 49 OG -0.749 3.229
4EWF #3/A SO4 301 O3 4EWF #3/A SER 85 CB -0.749 4.049
3CJM #1/A EDO 8 O2 3CJM #1/A VAL 240 O -0.749 3.229
3CJM #1/A NO3 1 N 3CJM #1/A HOH 592 O -0.750 3.850
3P09 #2/B SO4 288 O3 3P09 #2/B THR 229 CA -0.751 4.051
3CJM #1/A EDO 7 C1 3CJM #1/A PHE 241 CE1 -0.752 4.392
3P09 #2/A SO4 291 O1 3P09 #2/A LYS 193 CA -0.755 4.055
3CJM #1/A EDO 8 C1 3CJM #1/A HIS 242 C -0.757 4.247
3P09 #2/B GOL 294 C3 3P09 #2/B LEU 137 CG -0.760 4.520
4EWF #3/C ACY 302 O 4EWF #3/C MSE 145 CA -0.764 4.064
4EWF #3/C ACY 302 C 4EWF #3/C LYS 146 CA -0.766 4.526
4EWF #3/C SO4 301 S 4EWF #3/C GLY 215 C -0.767 4.147
3CJM #1/A EDO 5 O1 3CJM #1/A GLU 246 CG (alt loc B) -0.768 4.108
4EWF #3/B SO4 301 S 4EWF #3/B SER 216 CA -0.773 4.423
3P09 #2/A SO4 288 O2 3P09 #2/A GLY 228 C -0.773 3.803
3CJM #1/A EDO 3 C1 3CJM #1/A VAL 76 C -0.774 4.264
3P09 #2/B SO4 288 O1 3P09 #2/B THR 227 O -0.777 3.617
4EWF #3/D SO4 301 O1 4EWF #3/D GLY 215 C -0.778 3.808
4EWF #3/C SO4 301 S 4EWF #3/C GLY 215 N -0.780 4.190
4EWF #3/B SO4 301 S 4EWF #3/B SER 49 CB -0.781 4.431
4EWF #3/A SO4 302 S 4EWF #3/C GLU 156 N -0.782 4.192
3P09 #2/B SO4 292 O3 3P09 #2/B LYS 50 CD -0.784 4.084
3CJM #1/A EDO 6 C1 3CJM #1/A ARG 244 NH2 -0.785 4.305
3P09 #2/B SO4 288 O4 3P09 #2/B THR 229 OG1 -0.786 3.266
4EWF #3/C ACY 302 C 4EWF #3/C MSE 145 C -0.786 4.276
3P09 #2/A SO4 294 S 3P09 #2/A GLN 138 N -0.787 4.197
3CJM #1/A NO3 2 N 3CJM #1/A HOH 391 O -0.788 3.888
4EWF #3/C ACY 302 OXT 4EWF #3/C MSE 145 C -0.791 3.821
4EWF #3/C ACY 302 O 4EWF #3/C LEU 217 CD2 -0.793 4.093
3CJM #1/A EDO 8 C2 3CJM #1/A HIS 242 CA -0.793 4.553
3CJM #1/A EDO 5 C1 3CJM #1/A GLU 246 CD (alt loc B) -0.795 4.555
4EWF #3/A SO4 302 O2 4EWF #3/A LEU 89 O -0.796 3.636
3CJM #1/A NO3 2 O3 3CJM #1/A GLN 193 NE2 -0.797 3.457
3CJM #1/A EDO 7 C2 3CJM #1/A GLU 243 OE1 (alt loc B) -0.802 4.102
4EWF #3/A SO4 302 O4 4EWF #3/C TRP 158 CZ2 -0.803 3.983
3P09 #2/B GOL 294 O2 3P09 #2/B LEU 137 CB -0.804 4.144
3P09 #2/A SO4 291 O3 3P09 #2/A ASP 192 CA -0.804 4.104
3P09 #2/B SO4 292 S 3P09 #2/B LYS 50 CD -0.805 4.455
3P09 #2/A SO4 294 O1 3P09 #2/A LEU 137 CB -0.806 4.106
3CJM #1/A NO3 1 O3 3CJM #1/A ALA 107 CA -0.808 4.108
3CJM #1/A EDO 5 O2 3CJM #1/A GLU 246 CG (alt loc B) -0.812 4.152
3CJM #1/A EDO 5 C1 3CJM #1/A PRO 248 CA -0.813 4.573
3P09 #2/A SO4 293 O1 3P09 #2/A ASN 48 CB -0.813 4.113
4EWF #3/C ACY 302 OXT 4EWF #3/C GLY 147 CA -0.817 4.117
3P09 #2/A SO4 289 O3 3P09 #2/B ASN 150 CG -0.818 3.848
3P09 #2/A SO4 294 O4 3P09 #2/A GLN 138 CD -0.819 3.849
3P09 #2/B SO4 288 O3 3P09 #2/B GLY 228 C -0.820 3.850
4EWF #3/C SO4 301 O4 4EWF #3/C SER 85 CB -0.824 4.124
3CJM #1/A NO3 1 N 3CJM #1/A HOH 611 O -0.824 3.924
4EWF #3/D SO4 301 S 4EWF #3/D SER 216 CA -0.824 4.474
4EWF #3/D SO4 301 O3 4EWF #3/D THR 214 CA -0.825 4.125
3CJM #1/A EDO 8 C2 3CJM #1/A PHE 241 CA -0.828 4.588
3P09 #2/B SO4 292 S 3P09 #2/B LYS 176 NZ -0.829 4.239
3CJM #1/A EDO 5 C1 3CJM #1/A GLN 251 CD (alt loc A) -0.829 4.319
4EWF #3/C SO4 301 S 4EWF #3/C SER 216 CA -0.830 4.480
3P09 #2/A SO4 291 O1 3P09 #2/A ASP 192 C -0.830 3.860
3CJM #1/A EDO 8 C1 3CJM #1/A HIS 242 CA -0.831 4.591
3CJM #1/A NO3 2 N 3CJM #1/A GLU 190 CG -0.832 4.352
3P09 #2/A SO4 291 S 3P09 #2/A HOH 433 O -0.832 4.062
4EWF #3/C SO4 301 O3 4EWF #3/C THR 214 C -0.833 3.863
3P09 #2/B SO4 288 S 3P09 #2/B THR 227 CB -0.834 4.484
3P09 #2/A SO4 288 O4 3P09 #2/A GLY 228 C -0.835 3.865
4EWF #3/B SO4 301 O2 4EWF #3/B GLY 215 C -0.835 3.865
3P09 #2/A SO4 294 O4 3P09 #2/A GLN 138 NE2 -0.836 3.496
3CJM #1/A EDO 5 O1 3CJM #1/A GLN 251 OE1 (alt loc A) -0.837 3.317
4EWF #3/A SO4 302 S 4EWF #3/A HIS 90 CE1 -0.837 4.367
3P09 #2/A SO4 294 S 3P09 #2/A GLN 138 NE2 -0.838 4.248
3CJM #1/A EDO 8 C1 3CJM #1/A HIS 242 O -0.841 4.141
3P09 #2/B SO4 288 O1 3P09 #2/B THR 229 N -0.841 3.501
3CJM #1/A EDO 8 C2 3CJM #1/A HIS 242 CB -0.843 4.603
3CJM #1/A EDO 6 O2 3CJM #1/A ARG 244 NH2 -0.843 3.543
3P09 #2/B SO4 292 O3 3P09 #2/B TYR 39 OH -0.845 3.325
3P09 #2/B SO4 292 O4 3P09 #2/B ASN 48 ND2 -0.846 3.506
3P09 #2/A SO4 288 S 3P09 #2/A GLY 228 C -0.846 4.226
4EWF #3/C ACY 302 CH3 4EWF #3/C MSE 145 CE -0.848 4.608
4EWF #3/A SO4 301 O4 4EWF #3/A SER 216 N -0.849 3.509
4EWF #3/C SO4 301 O2 4EWF #3/C SER 49 OG -0.850 3.330
3P09 #2/B GOL 294 O1 3P09 #2/B LEU 137 C -0.851 3.921
3P09 #2/A SO4 289 S 3P09 #2/B HOH 401 O -0.851 4.081
3CJM #1/A EDO 5 O2 3CJM #1/A GLU 246 C -0.853 3.923
3CJM #1/A EDO 6 O1 3CJM #1/A ILE 265 CD1 -0.856 4.196
4EWF #3/C SO4 301 S 4EWF #3/C LYS 213 NZ -0.857 4.267
3CJM #1/A NO3 1 O1 3CJM #1/A LYS 111 NZ -0.858 3.518
4EWF #3/C SO4 301 S 4EWF #3/C THR 214 C -0.859 4.239
3CJM #1/A EDO 8 O2 3CJM #1/A HIS 242 CG -0.862 3.932
3P09 #2/A SO4 288 S 3P09 #2/A HOH 487 O -0.865 4.095
3P09 #2/B SO4 288 S 3P09 #2/B GLY 228 C -0.872 4.252
3P09 #2/A SO4 288 S 3P09 #2/A HOH 403 O -0.873 4.103
3P09 #2/B GOL 294 C1 3P09 #2/B GLY 136 C -0.873 4.363
4EWF #3/C SO4 301 O4 4EWF #3/C HOH 475 O -0.874 3.354
3P09 #2/B SO4 292 O4 3P09 #2/B ASN 48 CG -0.874 3.904
4EWF #3/A SO4 301 O4 4EWF #3/A THR 214 OG1 -0.877 3.357
3CJM #1/A NO3 1 O2 3CJM #1/A HOH 432 O -0.877 3.357
4EWF #3/C ACY 302 OXT 4EWF #3/C ARG 143 NH2 -0.878 3.538
3CJM #1/A NO3 2 O1 3CJM #1/A LYS 186 CG -0.879 4.179
3P09 #2/A SO4 288 S 3P09 #2/A SER 61 OG -0.881 4.111
4EWF #3/B SO4 301 S 4EWF #3/B GLY 215 C -0.882 4.262
4EWF #3/A SO4 301 S 4EWF #3/A GLY 215 C -0.884 4.264
3P09 #2/B SO4 292 O4 3P09 #2/B TYR 39 OH -0.885 3.365
3P09 #2/A SO4 289 O4 3P09 #2/B HOH 309 O -0.885 3.365
3CJM #1/A NO3 1 O1 3CJM #1/A ALA 107 C -0.887 3.917
4EWF #3/D SO4 301 S 4EWF #3/D GLY 215 C -0.888 4.268
3P09 #2/A SO4 294 S 3P09 #2/A GLY 136 CA -0.888 4.538
3P09 #2/B SO4 292 S 3P09 #2/B TYR 39 CE2 -0.889 4.419
4EWF #3/B SO4 301 O1 4EWF #3/B THR 214 CA -0.889 4.189
4EWF #3/D SO4 301 O2 4EWF #3/D THR 214 OG1 -0.891 3.371
3P09 #2/B SO4 292 O4 3P09 #2/B TYR 39 CE2 -0.891 4.071
3P09 #2/B SO4 292 O1 3P09 #2/B LYS 50 NZ -0.893 3.553
4EWF #3/C SO4 301 O3 4EWF #3/C GLY 215 N -0.893 3.553
4EWF #3/B SO4 301 O2 4EWF #3/B GLY 215 CA -0.895 4.195
4EWF #3/A SO4 302 O3 4EWF #3/C TRP 158 CE2 -0.898 3.928
3P09 #2/A SO4 288 O4 3P09 #2/A LYS 226 NZ -0.898 3.558
3P09 #2/B SO4 292 S 3P09 #2/B LYS 50 CE -0.899 4.549
3CJM #1/A NO3 1 N 3CJM #1/A SER 108 OG -0.899 3.999
3CJM #1/A EDO 4 O1 3CJM #1/A GLN 193 NE2 -0.900 3.600
3P09 #2/B GOL 294 C2 3P09 #2/B LEU 137 CD1 -0.900 4.660
3P09 #2/A SO4 289 O2 3P09 #2/B GLY 148 O -0.902 3.742
3P09 #2/A SO4 293 O3 3P09 #2/A LYS 50 CD -0.903 4.203
3CJM #1/A EDO 7 O1 3CJM #1/A ARG 244 NH2 -0.903 3.603
4EWF #3/C SO4 301 O1 4EWF #3/C THR 214 CA -0.905 4.205
4EWF #3/A SO4 302 O3 4EWF #3/C TRP 158 NE1 -0.905 3.565
3CJM #1/A EDO 6 C2 3CJM #1/A ALA 289 CA -0.906 4.666
3CJM #1/A NO3 1 O2 3CJM #1/A SER 108 CA -0.906 4.206
3CJM #1/A EDO 6 C2 3CJM #1/A GLU 243 CD (alt loc B) -0.907 4.667
4EWF #3/D SO4 301 O1 4EWF #3/D SER 110 CB -0.907 4.207
4EWF #3/D SO4 301 S 4EWF #3/D GLY 215 N -0.910 4.320
4EWF #3/C ACY 302 CH3 4EWF #3/C ALA 48 CB -0.911 4.671
4EWF #3/B SO4 301 O4 4EWF #3/B HOH 463 O -0.911 3.391
3P09 #2/A SO4 294 S 3P09 #2/A LEU 137 CA -0.911 4.561
4EWF #3/A SO4 301 O1 4EWF #3/A HOH 465 O -0.911 3.391
3P09 #2/A SO4 288 S 3P09 #2/A THR 229 CA -0.913 4.563
4EWF #3/C ACY 302 OXT 4EWF #3/C LYS 146 C -0.914 3.944
3P09 #2/B SO4 288 O2 3P09 #2/B SER 61 CB -0.914 4.214
3P09 #2/A SO4 288 O2 3P09 #2/A THR 229 O -0.917 3.757
3CJM #1/A EDO 7 O1 3CJM #1/A ILE 258 CD1 -0.918 4.258
4EWF #3/B SO4 301 S 4EWF #3/B LYS 213 NZ -0.918 4.328
3CJM #1/A NO3 1 O1 3CJM #1/A HOH 592 O -0.919 3.399
4EWF #3/A SO4 301 S 4EWF #3/A GLY 215 N -0.919 4.329
3P09 #2/B SO4 292 S 3P09 #2/B LYS 176 CE -0.919 4.569
3CJM #1/A EDO 8 C1 3CJM #1/A PHE 241 C -0.920 4.410
3CJM #1/A EDO 7 O1 3CJM #1/A GLU 243 OE2 (alt loc B) -0.921 3.401
4EWF #3/C ACY 302 CH3 4EWF #3/C ALA 48 O -0.921 4.221
4EWF #3/B SO4 301 O2 4EWF #3/B SER 216 N -0.927 3.587
4EWF #3/C ACY 302 CH3 4EWF #3/C SER 49 N -0.931 4.451
4EWF #3/C ACY 302 CH3 4EWF #3/C ARG 143 CZ -0.931 4.421
4EWF #3/A SO4 302 O1 4EWF #3/C HOH 427 O -0.932 3.412
3CJM #1/A NO3 1 O1 3CJM #1/A LYS 174 CE -0.933 4.233
4EWF #3/D SO4 301 S 4EWF #3/D THR 214 C -0.934 4.314
3P09 #2/B GOL 294 C1 3P09 #2/B LEU 137 CA -0.935 4.695
4EWF #3/A SO4 302 O4 4EWF #3/A HIS 90 CE1 -0.937 4.117
3P09 #2/A SO4 288 S 3P09 #2/A THR 227 CB -0.937 4.587
3P09 #2/A SO4 288 S 3P09 #2/A GLY 228 N -0.940 4.350
4EWF #3/A SO4 301 S 4EWF #3/A SER 216 CA -0.940 4.590
4EWF #3/D SO4 301 O4 4EWF #3/D HOH 437 O -0.941 3.421
4EWF #3/C SO4 301 O2 4EWF #3/C SER 216 O -0.944 3.784
3P09 #2/A SO4 288 O1 3P09 #2/A THR 229 CA -0.945 4.245
4EWF #3/A SO4 301 S 4EWF #3/A THR 214 C -0.946 4.326
3P09 #2/B SO4 288 S 3P09 #2/B THR 229 CA -0.947 4.597
4EWF #3/A SO4 301 S 4EWF #3/A LYS 213 NZ -0.949 4.359
3P09 #2/B SO4 292 O2 3P09 #2/B LYS 176 CE -0.950 4.250
4EWF #3/A SO4 301 O1 4EWF #3/A SER 110 CB -0.950 4.250
3P09 #2/B SO4 288 O2 3P09 #2/B THR 227 OG1 -0.951 3.431
3P09 #2/A SO4 293 S 3P09 #2/A TYR 39 CZ -0.951 4.331
4EWF #3/B SO4 301 S 4EWF #3/B THR 214 C -0.952 4.332
4EWF #3/C SO4 301 O1 4EWF #3/C GLY 215 CA -0.953 4.253
4EWF #3/C ACY 302 OXT 4EWF #3/C ARG 148 N -0.958 3.618
[deleted to fit within ticket size limits]
3CJM #1/A EDO 3 C2 3CJM #1/A LYS 77 N -1.544 5.064
3P09 #2/B SO4 292 O4 3P09 #2/B LYS 50 CG -1.546 4.846
3P09 #2/A SO4 294 O2 3P09 #2/A GLN 138 N -1.551 4.211
4EWF #3/B SO4 301 O3 4EWF #3/B SER 110 OG -1.551 4.031
4EWF #3/A SO4 302 O2 4EWF #3/A HIS 90 N -1.552 4.212
3CJM #1/A NO3 1 O3 3CJM #1/A SER 108 N -1.554 4.214
4EWF #3/B SO4 301 O1 4EWF #3/B HOH 437 O -1.555 4.035
3CJM #1/A EDO 3 C2 3CJM #1/A VAL 76 O -1.558 4.858
4EWF #3/B SO4 301 O4 4EWF #3/B GLY 215 N -1.558 4.218
3CJM #1/A NO3 2 O1 3CJM #1/A GLU 190 CD -1.560 4.860
3CJM #1/A NO3 2 N 3CJM #1/A ARG 189 C -1.562 4.812
3CJM #1/A EDO 4 O1 3CJM #1/A ARG 189 NE -1.563 4.263
3P09 #2/B GOL 294 O1 3P09 #2/B GLN 138 C -1.564 4.634
3CJM #1/A EDO 6 O1 3CJM #1/A ARG 244 NH2 -1.565 4.265
4EWF #3/C ACY 302 C 4EWF #3/C MSE 145 SE -1.566 3.946
4EWF #3/C ACY 302 C 4EWF #3/C ALA 48 CA -1.568 5.328
3CJM #1/A EDO 4 C1 3CJM #1/A HOH 595 O -1.568 4.908
3CJM #1/A EDO 5 C2 3CJM #1/A GLU 246 CB (alt loc B) -1.569 5.329
3CJM #1/A EDO 5 C2 3CJM #1/A GLN 251 NE2 (alt loc A) -1.574 5.094
3P09 #2/A SO4 291 S 3P09 #2/A LYS 193 CB -1.575 5.225
3CJM #1/A NO3 1 O3 3CJM #1/A LYS 174 CE -1.575 4.875
4EWF #3/A SO4 302 O4 4EWF #3/C TRP 158 CE2 -1.576 4.606
3P09 #2/B SO4 288 O3 3P09 #2/B THR 227 C -1.576 4.606
4EWF #3/A SO4 301 O1 4EWF #3/A GLY 215 N -1.577 4.237
3P09 #2/A SO4 293 O1 3P09 #2/A LYS 50 CG -1.577 4.877
3CJM #1/A NO3 1 N 3CJM #1/A SER 108 C -1.580 4.830
3P09 #2/B SO4 288 O2 3P09 #2/B THR 227 O -1.582 4.422
3P09 #2/A SO4 288 S 3P09 #2/A HOH 420 O -1.582 4.812
3CJM #1/A NO3 2 O2 3CJM #1/A GLU 190 CB -1.583 4.883
4EWF #3/A SO4 302 S 4EWF #3/C HOH 427 O -1.585 4.815
4EWF #3/C SO4 301 S 4EWF #3/C SER 85 CB -1.585 5.235
3CJM #1/A EDO 8 C2 3CJM #1/A GLU 243 CB (alt loc B) -1.586 5.346
3CJM #1/A EDO 5 O1 3CJM #1/A GLN 251 CA (alt loc A) -1.588 4.928
3CJM #1/A EDO 5 O2 3CJM #1/A HOH 410 O -1.588 4.108
4EWF #3/C ACY 302 CH3 4EWF #3/C GLY 147 CA -1.592 5.352
3CJM #1/A NO3 1 O2 3CJM #1/A SER 108 CB -1.592 4.892
4EWF #3/D SO4 301 S 4EWF #3/D SER 85 OG -1.592 4.822
4EWF #3/A SO4 301 S 4EWF #3/A HOH 479 O -1.593 4.823
3P09 #2/A SO4 291 O2 3P09 #2/A ASP 192 C -1.594 4.624
4EWF #3/A SO4 301 S 4EWF #3/A SER 85 CB -1.597 5.247
3P09 #2/A SO4 293 O3 3P09 #2/A LYS 50 CE -1.598 4.898
4EWF #3/C SO4 301 O4 4EWF #3/C SER 85 OG -1.598 4.078
4EWF #3/B SO4 301 O2 4EWF #3/B GLY 215 O -1.599 4.439
4EWF #3/B SO4 301 S 4EWF #3/B HOH 463 O -1.603 4.833
3CJM #1/A EDO 6 C1 3CJM #1/A ARG 244 CZ -1.603 5.093
4EWF #3/C SO4 301 O2 4EWF #3/C THR 214 O -1.604 4.444
3P09 #2/A SO4 289 O4 3P09 #2/B HOH 401 O -1.605 4.085
4EWF #3/A SO4 302 S 4EWF #3/C PRO 155 C -1.606 4.986
4EWF #3/D SO4 301 O4 4EWF #3/D SER 110 OG -1.606 4.086
3P09 #2/A SO4 291 S 3P09 #2/A LYS 193 CA -1.609 5.259
3CJM #1/A EDO 5 O2 3CJM #1/A HIS 242 CA -1.611 4.951
3CJM #1/A EDO 5 C2 3CJM #1/A GLN 251 CA (alt loc A) -1.611 5.371
3CJM #1/A EDO 6 C1 3CJM #1/A ARG 244 NE -1.612 5.132
4EWF #3/A SO4 301 O3 4EWF #3/A SER 110 OG -1.614 4.094
4EWF #3/C SO4 301 S 4EWF #3/C SER 85 OG -1.614 4.844
4EWF #3/C SO4 301 O2 4EWF #3/C GLY 215 N -1.616 4.276
3CJM #1/A EDO 5 O1 3CJM #1/A HIS 242 CG -1.618 4.688
4EWF #3/C SO4 301 O4 4EWF #3/C SER 110 OG -1.619 4.099
3CJM #1/A EDO 5 O2 3CJM #1/A THR 247 O -1.620 4.100
3P09 #2/B SO4 288 O1 3P09 #2/B ARG 212 CZ -1.621 4.651
4EWF #3/A SO4 301 O4 4EWF #3/A THR 214 O -1.622 4.462
4EWF #3/A SO4 302 S 4EWF #3/C TRP 158 CD1 -1.623 5.153
3CJM #1/A EDO 8 C2 3CJM #1/A PHE 241 CB -1.624 5.384
3CJM #1/A EDO 4 O2 3CJM #1/A ARG 189 CG -1.626 4.966
4EWF #3/A SO4 301 S 4EWF #3/A HOH 465 O -1.628 4.858
4EWF #3/A SO4 302 O3 4EWF #3/C TRP 158 CD1 -1.637 4.817
4EWF #3/A SO4 301 O3 4EWF #3/A SER 85 OG -1.638 4.118
3CJM #1/A EDO 8 O1 3CJM #1/A HIS 242 CA -1.639 4.979
3P09 #2/A SO4 291 S 3P09 #2/A HOH 369 O -1.640 4.870
3P09 #2/A SO4 289 S 3P09 #2/A LYS 26 NZ -1.642 5.052
3CJM #1/A NO3 1 O2 3CJM #1/A ALA 107 C -1.647 4.677
3P09 #2/A SO4 294 O2 3P09 #2/A LEU 137 N -1.647 4.307
4EWF #3/C SO4 301 O1 4EWF #3/C SER 49 OG -1.647 4.127
4EWF #3/A SO4 302 O3 4EWF #3/C TRP 158 CH2 -1.648 4.828
3CJM #1/A EDO 5 O2 3CJM #1/A THR 247 CB -1.650 4.990
3CJM #1/A EDO 3 O2 3CJM #1/A VAL 76 CB -1.651 4.991
3CJM #1/A NO3 2 N 3CJM #1/A GLU 190 CA -1.651 5.171
4EWF #3/B SO4 301 S 4EWF #3/B SER 85 OG -1.652 4.882
3P09 #2/A SO4 293 O1 3P09 #2/A ASN 48 ND2 -1.652 4.312
3P09 #2/B SO4 292 O2 3P09 #2/B TYR 39 CE2 -1.653 4.833
3P09 #2/A SO4 294 O3 3P09 #2/A GLN 138 CD -1.654 4.684
3CJM #1/A EDO 4 O1 3CJM #1/A THR 199 CB -1.656 4.996
3P09 #2/B SO4 288 O4 3P09 #2/B THR 229 N -1.656 4.316
3CJM #1/A EDO 8 C1 3CJM #1/A PHE 241 CD1 -1.657 5.297
3CJM #1/A EDO 6 O2 3CJM #1/A GLU 243 CB (alt loc B) -1.659 4.999
3P09 #2/A SO4 291 O3 3P09 #2/A ASP 192 C -1.660 4.690
4EWF #3/B SO4 301 O1 4EWF #3/B SER 49 OG -1.660 4.140
3CJM #1/A NO3 1 O3 3CJM #1/A HOH 592 O -1.661 4.141
3P09 #2/A SO4 288 O2 3P09 #2/A SER 122 CB -1.662 4.962
3CJM #1/A EDO 8 C2 3CJM #1/A GLU 243 OE1 (alt loc B) -1.662 4.962
4EWF #3/B SO4 301 O4 4EWF #3/B THR 214 CB -1.662 4.962
4EWF #3/D SO4 301 O2 4EWF #3/D THR 214 O -1.662 4.502
3P09 #2/A SO4 288 O4 3P09 #2/A THR 229 CA -1.663 4.963
3CJM #1/A EDO 3 C2 3CJM #1/A HOH 375 O -1.664 5.004
3CJM #1/A EDO 4 O2 3CJM #1/A ARG 189 CB -1.667 5.007
3CJM #1/A EDO 7 C2 3CJM #1/A SER 260 CB -1.669 5.429
4EWF #3/D SO4 301 O3 4EWF #3/D HOH 426 O -1.672 4.152
4EWF #3/C ACY 302 C 4EWF #3/C MSE 145 N -1.675 5.195
3P09 #2/B SO4 292 O3 3P09 #2/B GLU 53 CG -1.675 4.975
3CJM #1/A EDO 8 C2 3CJM #1/A HIS 242 CG -1.676 5.166
3CJM #1/A EDO 3 C1 3CJM #1/A HOH 427 O -1.681 5.021
4EWF #3/A SO4 302 O4 4EWF #3/B LYS 191 NZ -1.681 4.341
4EWF #3/C ACY 302 CH3 4EWF #3/C SER 49 OG -1.681 5.021
3P09 #2/A SO4 288 O3 3P09 #2/A HOH 500 O -1.682 4.162
4EWF #3/C SO4 301 S 4EWF #3/C ARG 197 NH1 -1.685 5.095
4EWF #3/A SO4 301 O2 4EWF #3/A THR 214 CG2 -1.685 4.985
4EWF #3/A SO4 301 O2 4EWF #3/A SER 49 OG -1.686 4.166
3P09 #2/A SO4 288 O4 3P09 #2/A SER 61 CA -1.688 4.988
3P09 #2/B GOL 294 C1 3P09 #2/B GLN 138 CD -1.690 5.180
3P09 #2/B GOL 294 O2 3P09 #2/B LEU 137 N -1.690 4.390
4EWF #3/D SO4 301 O4 4EWF #3/D SER 216 OG -1.694 4.174
4EWF #3/C SO4 301 O1 4EWF #3/C THR 214 CG2 -1.695 4.995
3P09 #2/A SO4 291 O1 3P09 #2/A LYS 196 CE -1.698 4.998
4EWF #3/A SO4 301 O2 4EWF #3/A HOH 553 O -1.698 4.178
3CJM #1/A EDO 6 C1 3CJM #1/A ALA 289 C -1.698 5.188
3CJM #1/A EDO 8 C1 3CJM #1/A HOH 589 O -1.701 5.041
3P09 #2/B SO4 288 O2 3P09 #2/B THR 227 C -1.702 4.732
3P09 #2/B SO4 288 O2 3P09 #2/B HOH 310 O -1.702 4.182
3P09 #2/A SO4 289 O1 3P09 #2/A HOH 347 O -1.705 4.185
4EWF #3/D SO4 301 O1 4EWF #3/D GLY 215 N -1.707 4.367
4EWF #3/A SO4 301 S 4EWF #3/A HOH 450 O -1.707 4.937
3CJM #1/A NO3 2 N 3CJM #1/A HOH 320 O -1.707 4.807
3CJM #1/A EDO 4 O2 3CJM #1/A GLN 193 CG -1.709 5.049
3P09 #2/A SO4 288 O4 3P09 #2/A LYS 226 CE -1.714 5.014
3P09 #2/B SO4 292 S 3P09 #2/B ASN 48 OD1 -1.714 4.904
3CJM #1/A EDO 3 C2 3CJM #1/A HOH 451 O -1.715 5.055
3CJM #1/A NO3 2 N 3CJM #1/A GLU 190 CD -1.718 5.238
3CJM #1/A NO3 1 N 3CJM #1/A ILE 110 CB -1.721 5.241
3CJM #1/A EDO 6 C2 3CJM #1/A ALA 289 CB -1.721 5.481
3CJM #1/A NO3 1 O2 3CJM #1/A LYS 111 NZ -1.723 4.383
3P09 #2/B SO4 288 S 3P09 #2/B THR 229 O -1.724 4.914
3CJM #1/A EDO 7 C2 3CJM #1/A PHE 241 CD2 -1.725 5.365
3CJM #1/A EDO 5 O2 3CJM #1/A GLU 246 CA (alt loc B) -1.725 5.065
3P09 #2/B GOL 294 C3 3P09 #2/B GLY 135 C -1.725 5.215
3P09 #2/A SO4 293 S 3P09 #2/A LYS 176 CD -1.725 5.375
4EWF #3/B SO4 301 S 4EWF #3/B THR 214 CG2 -1.727 5.377
3P09 #2/A SO4 288 O3 3P09 #2/A THR 208 CB -1.727 5.027
3CJM #1/A NO3 1 O1 3CJM #1/A ILE 110 CG2 -1.729 5.029
3P09 #2/B GOL 294 O1 3P09 #2/B GLY 135 C -1.729 4.799
4EWF #3/A SO4 302 O1 4EWF #3/C GLU 156 CG -1.729 5.029
4EWF #3/C ACY 302 CH3 4EWF #3/C ARG 148 C -1.732 5.222
3P09 #2/A SO4 291 S 3P09 #2/A HOH 431 O -1.734 4.964
4EWF #3/C ACY 302 O 4EWF #3/C ARG 148 O -1.734 4.574
3P09 #2/A SO4 294 O2 3P09 #2/A GLN 138 CA -1.734 5.034
4EWF #3/A SO4 302 O3 4EWF #3/C GLU 156 CB -1.736 5.036
3CJM #1/A EDO 8 C1 3CJM #1/A GLU 243 OE2 (alt loc B) -1.736 5.036
3CJM #1/A EDO 3 O1 3CJM #1/A VAL 76 CG2 -1.736 5.076
3CJM #1/A EDO 3 O1 3CJM #1/A HOH 375 O -1.737 4.257
3P09 #2/A SO4 289 S 3P09 #2/B GLY 148 O -1.737 4.927
3P09 #2/A SO4 288 O3 3P09 #2/A THR 227 OG1 -1.738 4.218
4EWF #3/C ACY 302 O 4EWF #3/C ARG 148 CA -1.739 5.039
3P09 #2/A SO4 293 O3 3P09 #2/A LYS 50 NZ -1.740 4.400
4EWF #3/A SO4 302 O4 4EWF #3/C GLU 156 CG -1.741 5.041
4EWF #3/C SO4 301 O1 4EWF #3/C GLY 215 C -1.741 4.771
3P09 #2/A SO4 288 O4 3P09 #2/A THR 208 CB -1.742 5.042
3CJM #1/A NO3 1 O2 3CJM #1/A LYS 174 NZ -1.743 4.403
3CJM #1/A EDO 7 C2 3CJM #1/A THR 145 CB -1.745 5.505
3CJM #1/A NO3 1 O1 3CJM #1/A LYS 111 CG -1.746 5.046
4EWF #3/A SO4 301 S 4EWF #3/A SER 216 O -1.747 4.937
3P09 #2/A SO4 291 O2 3P09 #2/A ASP 192 CG -1.748 5.048
3CJM #1/A NO3 1 O1 3CJM #1/A SER 108 C -1.748 4.778
3P09 #2/B SO4 288 S 3P09 #2/B THR 208 CB -1.750 5.400
3P09 #2/A SO4 289 O2 3P09 #2/B GLY 148 C -1.751 4.781
3CJM #1/A EDO 3 C1 3CJM #1/A LYS 77 CG -1.751 5.511
3P09 #2/A SO4 288 S 3P09 #2/A SER 61 CA -1.751 5.401
4EWF #3/A SO4 302 O3 4EWF #3/A HIS 90 CA -1.753 5.053
3CJM #1/A EDO 6 C2 3CJM #1/A GLU 243 OE1 (alt loc B) -1.754 5.054
3P09 #2/A SO4 288 O3 3P09 #2/A SER 61 OG -1.755 4.235
3P09 #2/A SO4 288 S 3P09 #2/A THR 229 O -1.757 4.947
3P09 #2/A SO4 288 S 3P09 #2/A THR 208 CB -1.757 5.407
3CJM #1/A EDO 8 O2 3CJM #1/A PHE 241 N -1.758 4.458
3P09 #2/A SO4 291 O2 3P09 #2/A LEU 191 O -1.759 4.599
3P09 #2/A SO4 288 O4 3P09 #2/A THR 227 N -1.760 4.420
3P09 #2/A SO4 294 S 3P09 #2/A LEU 137 CD1 -1.762 5.412
4EWF #3/D SO4 301 O3 4EWF #3/D GLY 215 C -1.762 4.792
3CJM #1/A EDO 8 O1 3CJM #1/A HIS 242 C -1.762 4.832
3CJM #1/A EDO 4 O1 3CJM #1/A ARG 189 CB -1.765 5.105
4EWF #3/B SO4 301 O1 4EWF #3/B GLY 215 C -1.765 4.795
3CJM #1/A EDO 6 O1 3CJM #1/A ASN 288 OD1 -1.766 4.246
3CJM #1/A NO3 2 O1 3CJM #1/A LYS 186 CD -1.767 5.067
3CJM #1/A EDO 7 O1 3CJM #1/A PHE 241 CD1 -1.767 4.987
3P09 #2/A SO4 294 O4 3P09 #2/A GLY 136 O -1.768 4.608
3P09 #2/A SO4 293 O4 3P09 #2/A HOH 446 O -1.768 4.248
4EWF #3/B SO4 301 O4 4EWF #3/B GLY 215 O -1.768 4.608
3P09 #2/A SO4 294 O2 3P09 #2/A LEU 137 C -1.768 4.798
4EWF #3/D SO4 301 S 4EWF #3/D HOH 426 O -1.769 4.999
3CJM #1/A EDO 8 O2 3CJM #1/A HIS 242 O -1.769 4.249
3CJM #1/A EDO 6 C2 3CJM #1/A ARG 244 CZ -1.769 5.259
4EWF #3/A SO4 301 S 4EWF #3/A SER 85 OG -1.770 5.000
3P09 #2/B SO4 292 O3 3P09 #2/B TYR 39 CD2 -1.770 4.950
3CJM #1/A NO3 2 O1 3CJM #1/A LYS 186 C -1.771 4.801
4EWF #3/D SO4 301 S 4EWF #3/D SER 216 O -1.771 4.961
3P09 #2/A SO4 288 O2 3P09 #2/A THR 227 C -1.771 4.801
4EWF #3/B SO4 301 O2 4EWF #3/B THR 214 O -1.771 4.611
3CJM #1/A EDO 4 C2 3CJM #1/A ARG 189 CZ -1.774 5.264
4EWF #3/C SO4 301 S 4EWF #3/C SER 216 O -1.774 4.964
3P09 #2/A SO4 289 O1 3P09 #2/A LYS 26 CE -1.778 5.078
3CJM #1/A EDO 5 C2 3CJM #1/A HIS 242 O -1.778 5.078
3CJM #1/A EDO 5 C2 3CJM #1/A GLU 246 CA (alt loc B) -1.779 5.539
3P09 #2/A SO4 288 S 3P09 #2/A THR 229 CG2 -1.781 5.431
4EWF #3/D SO4 301 O3 4EWF #3/D SER 49 OG -1.782 4.262
4EWF #3/A SO4 302 O1 4EWF #3/A HIS 90 ND1 -1.782 4.442
3P09 #2/B SO4 288 O2 3P09 #2/B SER 61 OG -1.784 4.264
3P09 #2/A SO4 289 O4 3P09 #2/A LYS 35 NZ -1.787 4.447
3CJM #1/A NO3 1 O1 3CJM #1/A HOH 345 O -1.787 4.267
3CJM #1/A EDO 5 O2 3CJM #1/A GLU 246 OE1 (alt loc B) -1.787 4.267
4EWF #3/A SO4 301 S 4EWF #3/A SER 110 CA -1.789 5.439
4EWF #3/B SO4 301 O3 4EWF #3/B ILE 109 O -1.789 4.629
4EWF #3/C ACY 302 CH3 4EWF #3/C ASN 157 ND2 -1.790 5.310
3P09 #2/A SO4 288 O3 3P09 #2/A TYR 98 CE1 -1.791 4.971
3P09 #2/B GOL 294 C2 3P09 #2/B GLY 136 O -1.792 5.092
3CJM #1/A NO3 1 O3 3CJM #1/A ILE 110 CB -1.795 5.095
3P09 #2/B GOL 294 C3 3P09 #2/B GLY 136 O -1.797 5.097
3CJM #1/A NO3 2 O1 3CJM #1/A GLU 190 OE2 -1.797 4.637
3P09 #2/B SO4 288 O2 3P09 #2/B GLY 228 CA -1.799 5.099
4EWF #3/B SO4 301 S 4EWF #3/B SER 110 CA -1.799 5.449
3P09 #2/A SO4 288 O2 3P09 #2/A THR 229 CG2 -1.799 5.099
3CJM #1/A NO3 2 O3 3CJM #1/A ARG 189 C -1.799 4.829
4EWF #3/A SO4 301 O3 4EWF #3/A SER 216 OG -1.799 4.279
4EWF #3/D SO4 301 S 4EWF #3/D ARG 197 NH1 -1.800 5.210
3CJM #1/A EDO 6 C1 3CJM #1/A ASN 288 OD1 -1.800 5.100
3CJM #1/A EDO 8 C2 3CJM #1/A GLU 243 CG (alt loc B) -1.801 5.561
3P09 #2/B SO4 288 O3 3P09 #2/B GLY 228 N -1.802 4.462
4EWF #3/B SO4 301 S 4EWF #3/B SER 216 O -1.802 4.992
3P09 #2/B GOL 294 C1 3P09 #2/B GLY 136 N -1.803 5.323
3P09 #2/A SO4 288 O1 3P09 #2/A ARG 212 NH2 -1.805 4.465
3P09 #2/B GOL 294 C3 3P09 #2/B LEU 137 C -1.805 5.295
4EWF #3/A SO4 302 O1 4EWF #3/A HIS 90 CA -1.806 5.106
4EWF #3/D SO4 301 S 4EWF #3/D SER 110 CA -1.806 5.456
4EWF #3/B SO4 301 S 4EWF #3/B HOH 430 O -1.808 5.038
3CJM #1/A NO3 2 N 3CJM #1/A LYS 186 O -1.812 4.872
4EWF #3/A SO4 302 O2 4EWF #3/A HIS 90 NE2 -1.813 4.473
3P09 #2/A SO4 293 O3 3P09 #2/A GLU 53 CG -1.813 5.113
4EWF #3/C SO4 301 S 4EWF #3/C SER 110 CA -1.813 5.463
4EWF #3/B SO4 301 O3 4EWF #3/B SER 110 CA -1.813 5.113
3CJM #1/A EDO 8 C2 3CJM #1/A GLU 243 N -1.815 5.335
3CJM #1/A EDO 7 C1 3CJM #1/A HOH 545 O -1.816 5.156
3P09 #2/B SO4 288 S 3P09 #2/B THR 229 CG2 -1.816 5.466
3CJM #1/A EDO 6 O1 3CJM #1/A ASN 288 O -1.816 4.296
4EWF #3/A SO4 302 O4 4EWF #3/C TRP 158 CH2 -1.817 4.997
3CJM #1/A NO3 1 O1 3CJM #1/A LYS 174 CD -1.818 5.118
3CJM #1/A NO3 1 N 3CJM #1/A TYR 105 OH -1.818 4.918
4EWF #3/A SO4 302 O4 4EWF #3/C PRO 155 C -1.819 4.849
4EWF #3/A SO4 301 O2 4EWF #3/A GLY 215 C -1.821 4.851
3CJM #1/A NO3 2 O3 3CJM #1/A HOH 391 O -1.821 4.301
3P09 #2/A SO4 288 O2 3P09 #2/A THR 227 O -1.823 4.663
3P09 #2/B SO4 292 O2 3P09 #2/B LYS 176 CD -1.824 5.124
3P09 #2/A SO4 288 O4 3P09 #2/A SER 61 OG -1.824 4.304
4EWF #3/C SO4 301 S 4EWF #3/C GLY 215 O -1.825 5.015
3P09 #2/A SO4 291 O3 3P09 #2/A ASP 192 OD2 -1.825 4.665
3CJM #1/A EDO 4 O1 3CJM #1/A GLN 193 CD -1.826 4.896
3CJM #1/A NO3 2 O2 3CJM #1/A GLU 190 OE2 -1.827 4.667
4EWF #3/C ACY 302 OXT 4EWF #3/C MSE 145 CE -1.828 5.128
3P09 #2/B SO4 288 O1 3P09 #2/B THR 208 CB -1.828 5.128
4EWF #3/C SO4 301 O4 4EWF #3/C THR 214 OG1 -1.829 4.309
3P09 #2/A SO4 293 S 3P09 #2/A LYS 50 CG -1.829 5.479
3P09 #2/B SO4 288 O3 3P09 #2/B SER 61 N -1.829 4.489
4EWF #3/A SO4 302 S 4EWF #3/C GLU 154 O -1.831 5.021
3P09 #2/A SO4 289 O1 3P09 #2/A HOH 384 O -1.831 4.311
3P09 #2/A SO4 293 O1 3P09 #2/A HOH 446 O -1.831 4.311
3P09 #2/A SO4 291 O3 3P09 #2/A HOH 399 O -1.832 4.312
4EWF #3/A SO4 302 O4 4EWF #3/C TRP 158 NE1 -1.832 4.492
3P09 #2/B GOL 294 O1 3P09 #2/B GLY 136 O -1.833 4.313
3P09 #2/A SO4 288 O1 3P09 #2/A ARG 212 CZ -1.835 4.865
3CJM #1/A EDO 8 C2 3CJM #1/A GLU 243 CD (alt loc B) -1.835 5.595
3P09 #2/B GOL 294 O1 3P09 #2/B ASN 139 N -1.838 4.538
3CJM #1/A NO3 2 O2 3CJM #1/A ARG 189 C -1.838 4.868
3CJM #1/A EDO 4 C2 3CJM #1/A GLN 193 OE1 -1.838 5.138
3P09 #2/A SO4 293 O2 3P09 #2/A TYR 39 CE2 -1.838 5.018
4EWF #3/B SO4 301 S 4EWF #3/B ARG 197 NH1 -1.840 5.250
3CJM #1/A EDO 7 C1 3CJM #1/A PHE 241 CZ -1.842 5.482
4EWF #3/D SO4 301 O1 4EWF #3/D SER 85 CB -1.844 5.144
3CJM #1/A EDO 4 C1 3CJM #1/A GLN 193 CD -1.845 5.335
3CJM #1/A EDO 6 C2 3CJM #1/A ASN 288 CA -1.846 5.606
3P09 #2/B GOL 294 C2 3P09 #2/B GLY 136 N -1.846 5.366
3P09 #2/B SO4 288 O3 3P09 #2/B HOH 310 O -1.846 4.326
4EWF #3/D SO4 301 S 4EWF #3/D ARG 197 NH2 -1.849 5.259
4EWF #3/C SO4 301 S 4EWF #3/C THR 214 CG2 -1.851 5.501
3P09 #2/B SO4 292 O3 3P09 #2/B GLU 53 OE2 -1.852 4.692
4EWF #3/C SO4 301 O3 4EWF #3/C SER 49 CB -1.853 5.153
4EWF #3/C SO4 301 S 4EWF #3/C HOH 437 O -1.853 5.083
3P09 #2/A SO4 288 O2 3P09 #2/A GLY 228 N -1.856 4.516
4EWF #3/A SO4 302 S 4EWF #3/C TRP 158 CH2 -1.856 5.386
3P09 #2/A SO4 288 O3 3P09 #2/A TYR 98 CD1 -1.857 5.037
3CJM #1/A EDO 6 O1 3CJM #1/A ILE 265 CG1 -1.858 5.198
3CJM #1/A NO3 1 N 3CJM #1/A ASN 171 OD1 -1.859 4.919
4EWF #3/B SO4 301 S 4EWF #3/B SER 216 C -1.860 5.240
4EWF #3/A SO4 301 O1 4EWF #3/A THR 214 CB -1.861 5.161
3CJM #1/A NO3 1 O2 3CJM #1/A LYS 111 CB -1.862 5.162
3P09 #2/A SO4 288 O4 3P09 #2/A GLY 228 O -1.862 4.702
3P09 #2/A SO4 291 O1 3P09 #2/A ASP 192 CG -1.862 5.162
4EWF #3/B SO4 301 O3 4EWF #3/B SER 216 OG -1.864 4.344
3CJM #1/A EDO 7 C2 3CJM #1/A PHE 241 CE2 -1.864 5.504
3CJM #1/A NO3 1 O2 3CJM #1/A SER 108 C -1.866 4.896
3P09 #2/A SO4 294 O2 3P09 #2/A GLN 138 NE2 -1.867 4.527
4EWF #3/C ACY 302 C 4EWF #3/C LYS 144 O -1.871 5.171
3CJM #1/A EDO 6 O1 3CJM #1/A ALA 292 CB -1.873 5.213
4EWF #3/A SO4 301 S 4EWF #3/A ARG 197 NH1 -1.873 5.283
3P09 #2/B SO4 288 S 3P09 #2/B THR 208 CG2 -1.873 5.523
3P09 #2/B SO4 288 S 3P09 #2/B SER 61 CA -1.873 5.523
4EWF #3/B SO4 301 O1 4EWF #3/B SER 216 CB -1.873 5.173
4EWF #3/C SO4 301 S 4EWF #3/C SER 216 C -1.874 5.254
4EWF #3/B SO4 301 O3 4EWF #3/B THR 214 OG1 -1.875 4.355
4EWF #3/D SO4 301 S 4EWF #3/D SER 216 C -1.877 5.257
3P09 #2/A SO4 289 S 3P09 #2/A HOH 347 O -1.878 5.108
4EWF #3/A SO4 301 S 4EWF #3/A ARG 197 NH2 -1.878 5.288
4EWF #3/A SO4 301 O3 4EWF #3/B HOH 438 O -1.880 4.360
3CJM #1/A NO3 2 N 3CJM #1/A GLU 190 CB -1.881 5.401
3P09 #2/A SO4 293 O2 3P09 #2/A LYS 176 CE -1.882 5.182
3P09 #2/B SO4 288 O4 3P09 #2/B GLY 228 C -1.882 4.912
4EWF #3/B SO4 301 S 4EWF #3/B ARG 197 NH2 -1.882 5.292
3CJM #1/A EDO 6 C1 3CJM #1/A GLU 243 CD (alt loc B) -1.884 5.644
3P09 #2/A SO4 288 O2 3P09 #2/A HOH 500 O -1.887 4.367
4EWF #3/A SO4 302 O3 4EWF #3/A HIS 90 ND1 -1.888 4.548
4EWF #3/A SO4 301 O3 4EWF #3/A SER 110 CA -1.888 5.188
3P09 #2/A SO4 291 S 3P09 #2/A ASP 192 N -1.889 5.299
3P09 #2/B GOL 294 C1 3P09 #2/B GLY 135 C -1.889 5.379
3P09 #2/B SO4 288 O4 3P09 #2/B THR 229 O -1.889 4.729
3P09 #2/A SO4 288 O3 3P09 #2/A LYS 226 NZ -1.889 4.549
3P09 #2/A SO4 288 S 3P09 #2/A THR 229 C -1.889 5.269
4EWF #3/A SO4 302 S 4EWF #3/B LYS 191 NZ -1.890 5.300
4EWF #3/D SO4 301 O3 4EWF #3/D THR 214 N -1.890 4.550
3P09 #2/B GOL 294 C1 3P09 #2/B LEU 137 CG -1.891 5.651
3P09 #2/B SO4 292 S 3P09 #2/B ASN 48 CG -1.892 5.272
3CJM #1/A EDO 4 O1 3CJM #1/A PRO 200 CD -1.892 5.232
3P09 #2/A SO4 291 O2 3P09 #2/A LYS 193 N -1.893 4.553
4EWF #3/C ACY 302 OXT 4EWF #3/C ARG 148 CG -1.894 5.194
3P09 #2/B SO4 288 S 3P09 #2/B THR 229 C -1.895 5.275
4EWF #3/D SO4 301 S 4EWF #3/D THR 214 CG2 -1.895 5.545
3CJM #1/A NO3 2 N 3CJM #1/A LYS 186 CG -1.897 5.417
4EWF #3/C ACY 302 C 4EWF #3/C ALA 48 C -1.897 5.387
3CJM #1/A NO3 2 O1 3CJM #1/A ARG 189 CA -1.898 5.198
4EWF #3/C SO4 301 O2 4EWF #3/C GLY 215 O -1.898 4.738
3P09 #2/A SO4 293 S 3P09 #2/A ASN 48 CB -1.900 5.550
3CJM #1/A EDO 3 O1 3CJM #1/A VAL 76 CB -1.901 5.241
3P09 #2/A SO4 291 O3 3P09 #2/A LYS 193 CB -1.902 5.202
3CJM #1/A EDO 7 O2 3CJM #1/A ARG 244 NH2 -1.902 4.602
4EWF #3/C SO4 301 S 4EWF #3/C ARG 197 NH2 -1.902 5.312
4EWF #3/A SO4 301 O3 4EWF #3/A ILE 109 O -1.902 4.742
3P09 #2/B SO4 288 S 3P09 #2/B GLY 228 O -1.902 5.092
4EWF #3/D SO4 301 S 4EWF #3/D HOH 435 O -1.904 5.134
4EWF #3/D SO4 301 O1 4EWF #3/D THR 214 CB -1.904 5.204
3P09 #2/B GOL 294 C2 3P09 #2/B GLY 135 O -1.904 5.204
3P09 #2/A SO4 293 O2 3P09 #2/A GLU 53 OE2 -1.905 4.745
4EWF #3/C SO4 301 O4 4EWF #3/C THR 214 CB -1.907 5.207
4EWF #3/C SO4 301 O2 4EWF #3/C THR 214 CB -1.908 5.208
3CJM #1/A EDO 3 C2 3CJM #1/A LYS 77 CB -1.910 5.670
3CJM #1/A NO3 1 O2 3CJM #1/A HOH 611 O -1.910 4.390
4EWF #3/D SO4 301 O2 4EWF #3/D SER 216 C -1.911 4.941
4EWF #3/A SO4 302 O3 4EWF #3/A HIS 90 CB -1.912 5.212
4EWF #3/C ACY 302 OXT 4EWF #3/C MSE 145 CG -1.912 5.212
3P09 #2/A SO4 291 O4 3P09 #2/A ASP 192 CB -1.913 5.213
3CJM #1/A EDO 6 O1 3CJM #1/A ALA 289 CA -1.914 5.254
4EWF #3/D SO4 301 O3 4EWF #3/D SER 216 CB -1.914 5.214
3P09 #2/A SO4 288 S 3P09 #2/A GLY 228 O -1.916 5.106
3CJM #1/A EDO 8 O1 3CJM #1/A PHE 241 CE1 -1.916 5.136
3P09 #2/A SO4 293 O2 3P09 #2/A LYS 50 CG -1.917 5.217
4EWF #3/C SO4 301 O4 4EWF #3/C SER 216 CA -1.918 5.218
3P09 #2/B SO4 288 O1 3P09 #2/B SER 122 CB -1.918 5.218
4EWF #3/A SO4 301 S 4EWF #3/A SER 216 C -1.919 5.299
3P09 #2/A SO4 291 O2 3P09 #2/A HOH 369 O -1.920 4.400
3P09 #2/B SO4 288 O4 3P09 #2/B SER 122 CB -1.920 5.220
3CJM #1/A EDO 6 C2 3CJM #1/A ILE 265 CD1 -1.921 5.681
3P09 #2/A SO4 293 O4 3P09 #2/A LYS 176 NZ -1.921 4.581
4EWF #3/C ACY 302 O 4EWF #3/C LYS 146 CB -1.922 5.222
3P09 #2/A SO4 288 S 3P09 #2/A HOH 297 O -1.923 5.153
4EWF #3/A SO4 302 S 4EWF #3/A HIS 90 C -1.923 5.303
4EWF #3/B SO4 301 O3 4EWF #3/B SER 216 CA -1.923 5.223
4EWF #3/D SO4 301 O4 4EWF #3/D THR 214 OG1 -1.924 4.404
4EWF #3/B SO4 301 O4 4EWF #3/B LYS 213 NZ -1.927 4.587
3P09 #2/A SO4 288 O2 3P09 #2/A SER 61 N -1.927 4.587
3CJM #1/A EDO 8 C1 3CJM #1/A VAL 240 O -1.928 5.228
4EWF #3/D SO4 301 O4 4EWF #3/D SER 110 CA -1.930 5.230
4EWF #3/A SO4 302 S 4EWF #3/C PRO 155 CB -1.933 5.583
3P09 #2/A SO4 291 O2 3P09 #2/A LEU 191 C -1.934 4.964
4EWF #3/B SO4 301 O4 4EWF #3/B THR 214 OG1 -1.935 4.415
3CJM #1/A EDO 5 O2 3CJM #1/A PRO 248 CB -1.935 5.275
3P09 #2/A SO4 293 O4 3P09 #2/A LYS 50 NZ -1.936 4.596
4EWF #3/C SO4 301 O2 4EWF #3/C SER 85 CB -1.937 5.237
3CJM #1/A NO3 1 O3 3CJM #1/A TYR 105 CE1 -1.937 5.117
4EWF #3/C SO4 301 O1 4EWF #3/C THR 214 N -1.937 4.597
4EWF #3/A SO4 301 S 4EWF #3/A THR 214 CG2 -1.938 5.588
4EWF #3/A SO4 302 S 4EWF #3/A HIS 90 O -1.939 5.129
3P09 #2/B SO4 292 O3 3P09 #2/B GLU 53 CD -1.940 5.240
4EWF #3/A SO4 302 O4 4EWF #3/A HIS 90 CG -1.941 4.971
3CJM #1/A EDO 3 C1 3CJM #1/A VAL 76 CG1 -1.942 5.702
3P09 #2/B SO4 288 O4 3P09 #2/B GLY 228 CA -1.943 5.243
4EWF #3/A SO4 301 O1 4EWF #3/A LYS 213 NZ -1.943 4.603
4EWF #3/A SO4 301 O1 4EWF #3/A GLY 215 O -1.944 4.784
4EWF #3/C ACY 302 C 4EWF #3/C LYS 146 CG -1.945 5.705
3P09 #2/A SO4 288 O1 3P09 #2/A THR 227 C -1.946 4.976
3P09 #2/B SO4 288 O1 3P09 #2/B LYS 226 NZ -1.946 4.606
4EWF #3/C ACY 302 CH3 4EWF #3/C ARG 148 CA -1.947 5.707
3CJM #1/A EDO 5 C1 3CJM #1/A GLN 251 CA (alt loc A) -1.948 5.708
4EWF #3/C SO4 301 O1 4EWF #3/C SER 49 CA -1.948 5.248
4EWF #3/A SO4 301 O1 4EWF #3/A SER 49 N -1.949 4.609
4EWF #3/C ACY 302 CH3 4EWF #3/C SER 49 CB -1.949 5.709
3P09 #2/A SO4 291 O2 3P09 #2/A ASP 192 N -1.950 4.610
4EWF #3/C ACY 302 C 4EWF #3/C ASN 112 OD1 -1.950 5.250
4EWF #3/B SO4 301 S 4EWF #3/B GLY 215 O -1.951 5.141
3CJM #1/A NO3 2 O3 3CJM #1/A GLN 193 CG -1.951 5.251
3CJM #1/A NO3 2 O3 3CJM #1/A ARG 189 NE -1.951 4.611
3CJM #1/A EDO 6 C2 3CJM #1/A ALA 292 N -1.952 5.472
3P09 #2/A SO4 288 S 3P09 #2/A THR 208 CG2 -1.954 5.604
3P09 #2/B SO4 288 O3 3P09 #2/B HOH 341 O -1.955 4.435
3P09 #2/A SO4 288 O3 3P09 #2/A THR 229 CB -1.956 5.256
4EWF #3/A SO4 302 O1 4EWF #3/A HIS 90 CE1 -1.957 5.137
4EWF #3/B SO4 301 O1 4EWF #3/B SER 216 N -1.959 4.619
3CJM #1/A NO3 2 N 3CJM #1/A LYS 186 CA -1.959 5.479
3P09 #2/B SO4 288 O2 3P09 #2/B LYS 226 CE -1.960 5.260
4EWF #3/D SO4 301 O4 4EWF #3/D SER 216 CA -1.960 5.260
3CJM #1/A EDO 3 C2 3CJM #1/A VAL 76 CA -1.960 5.720
3CJM #1/A EDO 5 O1 3CJM #1/A THR 247 C -1.961 5.031
4EWF #3/C ACY 302 C 4EWF #3/C ASN 112 CG -1.961 5.451
3CJM #1/A EDO 5 O1 3CJM #1/A PRO 248 CA -1.961 5.301
3P09 #2/A SO4 288 O1 3P09 #2/A HOH 297 O -1.963 4.443
4EWF #3/B SO4 301 O1 4EWF #3/B THR 214 N -1.966 4.626
3P09 #2/A SO4 288 O3 3P09 #2/A SER 122 O -1.967 4.807
4EWF #3/C SO4 301 S 4EWF #3/C SER 49 CA -1.968 5.618
3P09 #2/A SO4 288 O1 3P09 #2/A THR 208 CB -1.969 5.269
3CJM #1/A EDO 8 C2 3CJM #1/A VAL 240 C -1.970 5.460
4EWF #3/C ACY 302 CH3 4EWF #3/C MSE 145 C -1.970 5.460
3CJM #1/A EDO 7 C1 3CJM #1/A HOH 357 O -1.971 5.311
3CJM #1/A EDO 5 O1 3CJM #1/A GLU 246 OE2 (alt loc B) -1.972 4.452
3P09 #2/B GOL 294 C1 3P09 #2/B GLY 136 O -1.973 5.273
3CJM #1/A NO3 1 O2 3CJM #1/A LYS 111 CA -1.977 5.277
3CJM #1/A EDO 5 C2 3CJM #1/A HOH 410 O -1.978 5.318
4EWF #3/A SO4 301 O4 4EWF #3/A SER 110 CB -1.978 5.278
4EWF #3/D SO4 301 O3 4EWF #3/D SER 216 N -1.979 4.639
3CJM #1/A EDO 7 C1 3CJM #1/A ILE 258 CG1 -1.979 5.739
3CJM #1/A EDO 7 C1 3CJM #1/A PHE 241 CD2 -1.981 5.621
3CJM #1/A NO3 2 O2 3CJM #1/A GLU 190 N -1.982 4.642
4EWF #3/A SO4 302 S 4EWF #3/C GLU 156 CG -1.982 5.632
4EWF #3/B SO4 301 O2 4EWF #3/B SER 110 CB -1.982 5.282
3P09 #2/B SO4 288 O1 3P09 #2/B THR 229 CG2 -1.982 5.282
3P09 #2/B SO4 288 O2 3P09 #2/B THR 227 CA -1.983 5.283
4EWF #3/C SO4 301 O2 4EWF #3/C LYS 213 NZ -1.984 4.644
3CJM #1/A EDO 3 O1 3CJM #1/A LYS 77 C -1.984 5.054
4EWF #3/A SO4 301 S 4EWF #3/A GLY 215 O -1.984 5.174
3CJM #1/A NO3 1 O2 3CJM #1/A TYR 178 CE2 -1.984 5.164
3CJM #1/A NO3 1 O1 3CJM #1/A ASN 171 CG -1.984 5.014
3CJM #1/A NO3 2 O2 3CJM #1/A ARG 189 CD -1.986 5.286
3P09 #2/A SO4 293 S 3P09 #2/A TYR 39 CD2 -1.988 5.518
3P09 #2/A SO4 294 O4 3P09 #2/A LEU 137 CG -1.989 5.289
4EWF #3/C SO4 301 O3 4EWF #3/C SER 110 CB -1.989 5.289
4EWF #3/D SO4 301 O2 4EWF #3/D SER 110 CB -1.990 5.290
4EWF #3/B SO4 301 O3 4EWF #3/B THR 214 CB -1.991 5.291
4EWF #3/C SO4 301 O4 4EWF #3/C SER 110 CA -1.992 5.292
4EWF #3/D SO4 301 O4 4EWF #3/D ILE 109 O -1.996 4.836
3P09 #2/B SO4 292 O2 3P09 #2/B ASN 48 ND2 -1.996 4.656
3P09 #2/A SO4 291 O3 3P09 #2/A LYS 193 CA -1.997 5.297
3CJM #1/A NO3 1 O1 3CJM #1/A LYS 174 CG -1.997 5.297
3CJM #1/A NO3 2 O1 3CJM #1/A LYS 186 NZ -1.999 4.659
3CJM #1/A NO3 2 O2 3CJM #1/A GLN 193 NE2 -2.000 4.660
1588 contacts
> ui tool show Clashes
> clashes sel setAttrs true restrict cross overlapCutoff -2.0 hbondAllowance
> 0.0 interModel false ignoreHiddenModels true select true color #d6d11a
> reveal true
6957 clashes
> info atomattr
atomattr alt_loc
atomattr alt_locs
atomattr aniso_u
atomattr aniso_u6
atomattr atomspec
atomattr bfactor
atomattr bonds
atomattr color
atomattr coord
atomattr coord_index
atomattr cpp_pointer
atomattr custom_attrs
atomattr default_radius
atomattr deleted
atomattr display
atomattr display_radius
atomattr draw_mode
atomattr effective_coord
atomattr element
atomattr has_custom_attrs
atomattr hide
atomattr idatm_type
atomattr is_ribose
atomattr is_side_chain
atomattr is_side_connector
atomattr is_side_only
atomattr name
atomattr neighbors
atomattr num_alt_locs
atomattr num_bonds
atomattr num_explicit_bonds
atomattr occupancy
atomattr pb_coord
atomattr pb_scene_coord
atomattr radius
atomattr residue
atomattr ribbon_coord
atomattr scene_coord
atomattr selected
atomattr serial_number
atomattr session
atomattr structure
atomattr structure_category
atomattr visible
OpenGL version: 4.1 INTEL-22.5.11
OpenGL renderer: Intel(R) Iris(TM) Plus Graphics OpenGL Engine
OpenGL vendor: Intel Inc.
Python: 3.11.4
Locale: en_GB.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: MacBookPro16,2
Processor Name: Quad-Core Intel Core i7
Processor Speed: 2.3 GHz
Number of Processors: 1
Total Number of Cores: 4
L2 Cache (per Core): 512 KB
L3 Cache: 8 MB
Hyper-Threading Technology: Enabled
Memory: 32 GB
System Firmware Version: 2022.100.22.0.0 (iBridge: 21.16.5077.0.0,0)
OS Loader Version: 580~2215
Software:
System Software Overview:
System Version: macOS 14.5 (23F79)
Kernel Version: Darwin 23.5.0
Time since boot: 8 days, 5 hours, 19 minutes
Graphics/Displays:
Intel Iris Plus Graphics:
Chipset Model: Intel Iris Plus Graphics
Type: GPU
Bus: Built-In
VRAM (Dynamic, Max): 1536 MB
Vendor: Intel
Device ID: 0x8a53
Revision ID: 0x0007
Metal Support: Metal 3
Displays:
Color LCD:
Display Type: Built-In Retina LCD
Resolution: 2560 x 1600 Retina
Framebuffer Depth: 30-Bit Color (ARGB2101010)
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: Yes
Connection Type: Internal
Acer CB280HK:
Resolution: 5120 x 2880 (5K/UHD+ - Ultra High Definition Plus)
UI Looks like: 2560 x 1440 @ 30.00Hz
Framebuffer Depth: 30-Bit Color (ARGB2101010)
Display Serial Number: T1HEE0014200
Mirror: Off
Online: Yes
Rotation: Supported
Adapter Type: DVI or HDMI
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-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-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
Attachments (7)
Change History (12)
comment:1 by , 15 months ago
| Component: | Unassigned → Structure Analysis |
|---|---|
| Description: | modified (diff) |
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Clash attribute not registered |
comment:2 by , 15 months ago
comment:3 by , 15 months ago
| Resolution: | → fixed |
|---|---|
| Status: | accepted → closed |
Fixed. Fix will be in tomorrow's daily build.
comment:4 by , 15 months ago
Thanks Eric!
It looks like my selection syntax was a bit off, but I thought the attributes weren’t there when I went looking for them with info so filed the bug report. Glad to have spotted a real bug though.
And this explains why I wasn’t able to import the overlap attributes into Jalview.
Best wishes,
Stuart
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Stuart MacGowan
Senior Bioinformatics Research Scientist
School of Life Sciences, University of Dundee
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From: ChimeraX <ChimeraX-bugs-admin@cgl.ucsf.edu>
Date: Saturday, 3 August 2024 at 00:00
To: Stuart MacGowan (Staff) <s.macgowan@dundee.ac.uk>, pett@cgl.ucsf.edu <pett@cgl.ucsf.edu>
Subject: Re: [ChimeraX] #15718: Clash attribute not registered
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#15718: Clash attribute not registered
-----------------------------------------+--------------------
Reporter: smacgowan@… | Owner: pett
Type: defect | Status: closed
Priority: normal | Milestone:
Component: Structure Analysis | Version:
Resolution: fixed | Keywords:
Blocked By: | Blocking:
Notify when closed: | Platform: all
Project: ChimeraX |
-----------------------------------------+--------------------
Changes (by pett):
* resolution: => fixed
* status: accepted => closed
Comment:
Fixed. Fix will be in tomorrow's daily build.
--
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comment:5 by , 15 months ago
Yes, '@@' is for atom attributes and '::' is for residue attributes. So '::jv_RESNUM' is right, but you would want '@@ligand_overlap'. It's good you reported this so I could fix it!
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Hi Stuart,
--Eric