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Opened 19 months ago
Last modified 19 months ago
#14958 closed defect
ChimeraX bug report submission — at Initial Version
| Reported by: | Owned by: | ||
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Core | Version: | |
| Keywords: | Cc: | Tom Goddard | |
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-14.4.1-x86_64-i386-64bit
ChimeraX Version: 1.7 (2023-12-19 08:36:03 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault
Current thread 0x00007ff8571bb100 (most recent call first):
Garbage-collecting
File "/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py", line 161 in
File "/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py", line 161 in __iter__
File "/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/hbonds/hbond.py", line 806 in _find_acceptors
File "/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/hbonds/hbond.py", line 498 in find_hbonds
File "/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/hbonds/cmd.py", line 94 in cmd_hbonds
File "/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py", line 2908 in run
File "/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/cmd_line/tool.py", line 319 in execute
File "/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/cmd_line/tool.py", line 146 in keyPressEvent
File "/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 275 in event_loop
File "/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 918 in init
File "/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1069 in
File "", line 88 in _run_code
File "", line 198 in _run_module_as_main
Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtWebChannel, PyQt6.QtNetwork, PyQt6.QtWebEngineCore, PyQt6.QtPrintSupport, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, charset_normalizer.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.surface._surface, chimerax.pdb_lib._load_libs, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.pdb._pdbio, chimerax.atom_search.ast, chimerax.chem_group._chem_group, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, numpy.linalg.lapack_lite, lxml._elementpath, lxml.etree, chimerax.coulombic._esp (total: 62)
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{
"uptime" : 44000,
"procRole" : "Foreground",
"version" : 2,
"userID" : 501,
"deployVersion" : 210,
"modelCode" : "MacBookAir9,1",
"coalitionID" : 3343,
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"build" : "23E224",
"releaseType" : "User"
},
"captureTime" : "2024-04-11 13:02:31.4486 -0400",
"codeSigningMonitor" : 0,
"incident" : "68D812FA-BCED-4BB7-9AD7-9AF67F2407AE",
"pid" : 6077,
"cpuType" : "X86-64",
"roots_installed" : 0,
"bug_type" : "309",
"procLaunch" : "2024-04-11 10:39:04.1251 -0400",
"procStartAbsTime" : 37295021994578,
"procExitAbsTime" : 44854849435630,
"procName" : "ChimeraX",
"procPath" : "\/Applications\/ChimeraX-1.7.app\/Contents\/MacOS\/ChimeraX",
"bundleInfo" : {"CFBundleShortVersionString":"1.7.0","CFBundleVersion":"1.7.0.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
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"parentPid" : 1,
"coalitionName" : "edu.ucsf.cgl.ChimeraX",
"crashReporterKey" : "97783BC3-FCB6-F7D1-28B2-8C1D39257CA0",
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"codeSigningID" : "edu.ucsf.cgl.ChimeraX",
"codeSigningTeamID" : "LWV8X224YF",
"codeSigningFlags" : 570491649,
"codeSigningValidationCategory" : 6,
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"sleepWakeUUID" : "EC8F1538-1C46-466B-B9CB-1D466340F5D5",
"sip" : "enabled",
"vmRegionInfo" : "0xa9 is not in any region. Bytes before following region: 4475342679\n REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL\n UNUSED SPACE AT START\n---> \n __TEXT 10ac05000-10ac09000 [ 16K] r-x\/r-x SM=COW \/Applications\/ChimeraX-1.7.app\/Contents\/MacOS\/ChimeraX",
"exception" : {"codes":"0x0000000000000001, 0x00000000000000a9","rawCodes":[1,169],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x00000000000000a9"},
"termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":6077},
"ktriageinfo" : "VM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\nVM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\nVM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\nVM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\nVM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\n",
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"faultingThread" : 0,
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===== Log before crash start =====
Startup Messages
---
warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR
bundle with that from NMRSTAR bundle
UCSF ChimeraX version: 1.7 (2023-12-19)
© 2016-2023 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open 8dnu
Summary of feedback from opening 8dnu fetched from pdb
---
note | Fetching compressed mmCIF 8dnu from
http://files.rcsb.org/download/8dnu.cif
8dnu title:
Human Brain Glutamine Synthetase [more info...]
Chain information for 8dnu #1
---
Chain | Description | UniProt
A B C D E F G H I J | Glutamine synthetase | GLNA_HUMAN 1-373
Non-standard residues in 8dnu #1
---
MN — manganese (II) ion
> set bgColor white
> show cartoons
> style stick
Changed 29320 atom styles
> style sphere
Changed 29320 atom styles
> save /Users/isabelladibiasio/Desktop/image1.png supersample 3
> close
> open 2qc8
Summary of feedback from opening 2qc8 fetched from pdb
---
note | Fetching compressed mmCIF 2qc8 from
http://files.rcsb.org/download/2qc8.cif
2qc8 title:
Crystal structure of human glutamine synthetase in complex with ADP and
methionine sulfoximine phosphate [more info...]
Chain information for 2qc8 #1
---
Chain | Description | UniProt
A B C D E F G H I J | Glutamine synthetase | GLNA_HUMAN 5-365
Non-standard residues in 2qc8 #1
---
ADP — adenosine-5'-diphosphate
CL — chloride ion
MN — manganese (II) ion
P3S — L-methionine-S-sulfoximine phosphate
> select :P3S
150 atoms, 140 bonds, 10 residues, 1 model selected
> select :P3S
150 atoms, 140 bonds, 10 residues, 1 model selected
> style sel stick
Changed 150 atom styles
> undo
> select add #1
28837 atoms, 29326 bonds, 175 pseudobonds, 3850 residues, 2 models selected
> select subtract #1
Nothing selected
> select add #1
28837 atoms, 29326 bonds, 175 pseudobonds, 3850 residues, 2 models selected
> select :P3S
150 atoms, 140 bonds, 10 residues, 1 model selected
> select add #1
28837 atoms, 29326 bonds, 175 pseudobonds, 3850 residues, 2 models selected
> select subtract #1
Nothing selected
> select add #1
28837 atoms, 29326 bonds, 175 pseudobonds, 3850 residues, 2 models selected
> style sel stick
Changed 28837 atom styles
> select :P3S
150 atoms, 140 bonds, 10 residues, 1 model selected
> select add #1
28837 atoms, 29326 bonds, 175 pseudobonds, 3850 residues, 2 models selected
> select subtract #1
Nothing selected
> select /A:3-372
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /B:3-372
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /C:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /A:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> show sel
> select /D:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /E:10-364
2811 atoms, 2886 bonds, 355 residues, 1 model selected
> hide sel
> select /F:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /F:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /F:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> select /G:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /H:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /I:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /J:3-372
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /A:3-372
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> show sel cartoons
> ui tool show H-Bonds
> hbonds sel 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 2qc8
526 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
/A LYS 11 NZ /B ASP 174 OD1 no hydrogen 3.001 N/A
/A LYS 11 NZ /B ASP 174 OD2 no hydrogen 2.773 N/A
/A LYS 14 N /A ASN 10 O no hydrogen 3.373 N/A
/A GLN 15 N /A LYS 11 O no hydrogen 2.956 N/A
/A VAL 16 N /A GLY 12 O no hydrogen 3.403 N/A
/A TYR 17 N /A ILE 13 O no hydrogen 3.477 N/A
/A TYR 17 OH /B ASP 231 OD2 no hydrogen 2.425 N/A
/A MET 18 N /A LYS 14 O no hydrogen 2.830 N/A
/A SER 19 N /A GLN 15 O no hydrogen 2.929 N/A
/A SER 19 N /A VAL 16 O no hydrogen 3.257 N/A
/A SER 19 OG /A GLN 15 O no hydrogen 2.852 N/A
/A SER 19 OG /A VAL 16 O no hydrogen 3.556 N/A
/A LEU 20 N /A TYR 17 O no hydrogen 3.074 N/A
/A GLN 22 NE2 /A LYS 25 O no hydrogen 2.748 N/A
/A GLN 22 NE2 /A ASN 94 OD1 no hydrogen 3.094 N/A
/A LYS 25 N /A HOH 714 O no hydrogen 2.895 N/A
/A LYS 25 NZ /A ASP 48 OD1 no hydrogen 2.946 N/A
/A VAL 26 N /A LEU 47 O no hydrogen 2.844 N/A
/A GLN 27 N /A ASN 94 OD1 no hydrogen 2.937 N/A
/A GLN 27 NE2 /B HOH 722 O no hydrogen 3.303 N/A
/A ALA 28 N /A ARG 45 O no hydrogen 2.907 N/A
/A MET 29 N /A LYS 95 O no hydrogen 2.919 N/A
/A TYR 30 N /A LYS 43 O no hydrogen 2.752 N/A
/A TYR 30 OH /A PRO 58 O no hydrogen 2.576 N/A
/A ILE 31 N /A VAL 97 O no hydrogen 2.745 N/A
/A TRP 32 N /A ARG 41 O no hydrogen 2.844 N/A
/A ASP 34 N /A GLY 39 O no hydrogen 2.979 N/A
/A GLY 35 N /A THR 67 O no hydrogen 3.192 N/A
/A THR 36 N /A ASP 34 OD1 no hydrogen 2.679 N/A
/A THR 36 OG1 /A ASP 34 OD1 no hydrogen 2.677 N/A
/A GLY 37 N /A ASP 34 O no hydrogen 3.214 N/A
/A GLU 38 N /A THR 36 OG1 no hydrogen 2.909 N/A
/A GLY 39 N /A THR 36 OG1 no hydrogen 2.856 N/A
/A ARG 41 N /A TRP 32 O no hydrogen 2.753 N/A
/A ARG 41 NE /A ASP 34 OD2 no hydrogen 2.963 N/A
/A ARG 41 NH1 /B GLY 159 O no hydrogen 3.031 N/A
/A ARG 41 NH1 /B TYR 162 O no hydrogen 2.767 N/A
/A ARG 41 NH2 /A ASP 34 OD2 no hydrogen 3.208 N/A
/A ARG 41 NH2 /B GLY 159 O no hydrogen 3.238 N/A
/A CYS 42 N /B CYS 163 O no hydrogen 2.692 N/A
/A LYS 43 N /A TYR 30 O no hydrogen 2.962 N/A
/A LYS 43 NZ /A ASN 61 O no hydrogen 2.736 N/A
/A LYS 43 NZ /A HOH 732 O no hydrogen 2.757 N/A
/A THR 44 N /B THR 193 O no hydrogen 3.068 N/A
/A ARG 45 N /A ALA 28 O no hydrogen 2.937 N/A
/A THR 46 N /B ALA 191 O no hydrogen 2.781 N/A
/A THR 46 OG1 /B TYR 180 OH no hydrogen 2.439 N/A
/A THR 46 OG1 /B ILE 190 O no hydrogen 2.719 N/A
/A LEU 47 N /A VAL 26 O no hydrogen 2.637 N/A
/A LYS 52 N /A GLU 56 OE1 no hydrogen 2.958 N/A
/A CYS 53 SG /A GLU 56 OE2 no hydrogen 2.255 N/A
/A GLU 56 N /A CYS 53 O no hydrogen 3.169 N/A
/A LEU 57 N /A VAL 54 O no hydrogen 3.008 N/A
/A TRP 60 N /A LEU 79 O no hydrogen 2.881 N/A
/A PHE 62 N /A MET 77 O no hydrogen 3.140 N/A
/A ASP 63 N /B TYR 162 OH no hydrogen 3.087 N/A
/A GLY 64 N /A SER 75 O no hydrogen 3.133 N/A
/A SER 65 N /A ASP 63 OD1 no hydrogen 2.864 N/A
/A SER 65 OG /A ASP 63 OD1 no hydrogen 2.645 N/A
/A SER 65 OG /A ASP 63 OD2 no hydrogen 3.353 N/A
/A SER 66 N /A ASP 63 O no hydrogen 2.961 N/A
/A SER 66 OG /A ASP 63 OD2 no hydrogen 2.509 N/A
/A THR 67 N /A GLY 64 O no hydrogen 3.177 N/A
/A THR 67 OG1 /A GLY 64 O no hydrogen 3.503 N/A
/A GLN 69 N /A GLY 64 O no hydrogen 2.934 N/A
/A GLN 69 NE2 /A THR 67 O no hydrogen 3.573 N/A
/A GLN 69 NE2 /A THR 67 OG1 no hydrogen 2.413 N/A
/A SER 70 N /A GLY 64 O no hydrogen 3.304 N/A
/A SER 70 OG /A SER 75 O no hydrogen 2.907 N/A
/A ASN 74 N /A GLU 71 O no hydrogen 3.107 N/A
/A SER 75 N /B ALA 317 O no hydrogen 2.785 N/A
/A SER 75 OG /A GLY 72 O no hydrogen 2.794 N/A
/A SER 75 OG /B ALA 317 O no hydrogen 2.987 N/A
/A MET 77 N /A PHE 62 O no hydrogen 2.983 N/A
/A TYR 78 N /A PHE 102 O no hydrogen 2.882 N/A
/A TYR 78 OH /A HOH 710 O no hydrogen 2.507 N/A
/A LEU 79 N /A TRP 60 O no hydrogen 2.768 N/A
/A VAL 80 N /A GLU 100 O no hydrogen 2.874 N/A
/A ALA 82 N /A LEU 98 O no hydrogen 2.825 N/A
/A ALA 83 N /A LEU 98 O no hydrogen 3.195 N/A
/A MET 84 N /A HOH 709 O no hydrogen 2.842 N/A
/A PHE 85 N /A LEU 96 O no hydrogen 2.795 N/A
/A ARG 86 N /A ALA 186 O no hydrogen 2.980 N/A
/A ARG 86 NE /A ASP 92 OD1 no hydrogen 3.184 N/A
/A ARG 86 NH1 /A TYR 185 O no hydrogen 2.890 N/A
/A ARG 86 NH2 /A ASP 92 OD2 no hydrogen 2.818 N/A
/A ASP 87 N /A ASN 94 O no hydrogen 3.083 N/A
/A PHE 89 N /A ASP 87 OD1 no hydrogen 2.693 N/A
/A ARG 90 N /A ASP 87 OD1 no hydrogen 2.861 N/A
/A ARG 90 NE /B GLU 177 OE1 no hydrogen 2.798 N/A
/A ARG 90 NE /B GLU 177 OE2 no hydrogen 3.348 N/A
/A ARG 90 NH1 /A THR 44 OG1 no hydrogen 3.062 N/A
/A ARG 90 NH1 /A HOH 718 O no hydrogen 3.034 N/A
/A ARG 90 NH2 /A THR 44 OG1 no hydrogen 3.058 N/A
/A ARG 90 NH2 /B GLU 177 OE2 no hydrogen 2.885 N/A
/A LYS 91 N /A ASP 87 O no hydrogen 2.579 N/A
/A ASP 92 N /A TYR 185 OH no hydrogen 2.806 N/A
/A ASN 94 N /A LYS 91 O no hydrogen 2.954 N/A
/A ASN 94 ND2 /A GLN 22 OE1 no hydrogen 3.051 N/A
/A ASN 94 ND2 /A ARG 90 O no hydrogen 3.222 N/A
/A LYS 95 N /A GLN 27 O no hydrogen 2.968 N/A
/A LYS 95 NZ /A GLU 50 OE2 no hydrogen 2.923 N/A
/A LYS 95 NZ /A HOH 708 O no hydrogen 2.833 N/A
/A LEU 96 N /A PHE 85 O no hydrogen 2.858 N/A
/A VAL 97 N /A MET 29 O no hydrogen 2.781 N/A
/A LEU 98 N /A ALA 83 O no hydrogen 2.908 N/A
/A CYS 99 N /A ILE 31 O no hydrogen 2.865 N/A
/A CYS 99 SG /A VAL 97 O no hydrogen 3.702 N/A
/A GLU 100 N /A VAL 80 O no hydrogen 2.848 N/A
/A PHE 102 N /A TYR 78 O no hydrogen 3.083 N/A
/A LYS 103 N /A ARG 107 O no hydrogen 2.745 N/A
/A LYS 103 NZ /A GLU 110 OE2 no hydrogen 2.404 N/A
/A ARG 106 N /A LYS 103 O no hydrogen 2.900 N/A
/A ARG 106 NH2 /A GLU 59 OE1 no hydrogen 3.069 N/A
/A ARG 107 N /A ASN 105 OD1 no hydrogen 3.085 N/A
/A ALA 109 N /A VAL 101 O no hydrogen 3.105 N/A
/A GLU 110 N /A GLU 110 OE1 no hydrogen 2.672 N/A
/A THR 111 OG1 /A ASP 34 O no hydrogen 2.739 N/A
/A THR 111 OG1 /A GLN 69 OE1 no hydrogen 3.358 N/A
/A ASN 112 N /A ALA 109 O no hydrogen 2.990 N/A
/A ASN 112 ND2 /A GLU 100 OE1 no hydrogen 2.822 N/A
/A ASN 112 ND2 /A VAL 101 O no hydrogen 3.015 N/A
/A LEU 113 N /A HOH 715 O no hydrogen 3.077 N/A
/A ARG 114 N /A ASN 112 OD1 no hydrogen 3.015 N/A
/A ARG 114 NE /A ASP 216 OD1 no hydrogen 2.696 N/A
/A ARG 114 NH1 /A GLU 100 OE2 no hydrogen 3.058 N/A
/A ARG 114 NH2 /A ASP 216 OD1 no hydrogen 3.360 N/A
/A ARG 114 NH2 /A ASP 216 OD2 no hydrogen 2.699 N/A
/A HIS 115 N /A ASN 112 OD1 no hydrogen 2.911 N/A
/A HIS 115 ND1 /A GLU 100 OE1 no hydrogen 3.284 N/A
/A CYS 117 N /A LEU 113 O no hydrogen 3.277 N/A
/A CYS 117 SG /A PHE 349 O no hydrogen 3.272 N/A
/A CYS 117 SG /A THR 352 OG1 no hydrogen 3.597 N/A
/A LYS 118 N /A ARG 114 O no hydrogen 2.741 N/A
/A LYS 118 NZ /A ASP 122 OD2 no hydrogen 3.160 N/A
/A ARG 119 N /A HIS 115 O no hydrogen 3.389 N/A
/A ARG 119 NH2 /A HIS 115 NE2 no hydrogen 3.536 N/A
/A ILE 120 N /A THR 116 O no hydrogen 2.888 N/A
/A MET 121 N /A CYS 117 O no hydrogen 2.910 N/A
/A ASP 122 N /A LYS 118 O no hydrogen 2.927 N/A
/A MET 123 N /A ARG 119 O no hydrogen 3.098 N/A
/A MET 123 N /A ILE 120 O no hydrogen 3.241 N/A
/A VAL 124 N /A MET 121 O no hydrogen 3.161 N/A
/A SER 125 N /A ASP 122 O no hydrogen 3.522 N/A
/A SER 125 OG /A ASP 122 O no hydrogen 2.658 N/A
/A GLN 127 N /A VAL 124 O no hydrogen 2.864 N/A
/A HIS 128 N /A SER 125 O no hydrogen 2.925 N/A
/A HIS 128 ND1 /A GLU 210 OE1 no hydrogen 3.229 N/A
/A HIS 128 ND1 /A GLU 210 OE2 no hydrogen 2.569 N/A
/A TRP 130 N /A SER 257 O no hydrogen 2.684 N/A
/A TRP 130 NE1 /A GLU 210 OE1 no hydrogen 3.220 N/A
/A PHE 131 N /A CYS 209 O no hydrogen 2.974 N/A
/A GLY 132 N /A ASN 255 O no hydrogen 2.828 N/A
/A MET 133 N /A ILE 206 O no hydrogen 2.943 N/A
/A GLU 134 N /A HIS 253 O no hydrogen 2.992 N/A
/A GLN 135 N /A PHE 204 O no hydrogen 2.708 N/A
/A GLN 135 NE2 /A GLU 136 O no hydrogen 2.894 N/A
/A GLN 135 NE2 /A ALA 344 O no hydrogen 2.930 N/A
/A GLU 136 N /A GLY 251 O no hydrogen 3.281 N/A
/A TYR 137 N /A TRP 202 O no hydrogen 2.928 N/A
/A THR 138 N /A THR 237 O no hydrogen 3.178 N/A
/A LEU 139 N /A ALA 200 O no hydrogen 2.960 N/A
/A MET 140 N /A ILE 235 O no hydrogen 2.707 N/A
/A GLY 141 N /A HIS 145 O no hydrogen 2.713 N/A
/A GLY 144 N /A GLY 141 O no hydrogen 2.838 N/A
/A HIS 145 N /A ASP 143 OD1 no hydrogen 3.229 N/A
/A HIS 145 NE2 /A GLY 153 O no hydrogen 2.918 N/A
/A PHE 147 N /A LEU 139 O no hydrogen 2.666 N/A
/A TRP 149 N /A PRO 146 O no hydrogen 3.036 N/A
/A TRP 149 NE1 /A PRO 199 O no hydrogen 3.109 N/A
/A ASN 152 ND2 /F THR 142 O no hydrogen 3.183 N/A
/A GLY 153 N /A HIS 145 NE2 no hydrogen 3.388 N/A
/A GLY 153 N /A PRO 150 O no hydrogen 3.001 N/A
/A PHE 154 N /G PHE 154 O no hydrogen 2.823 N/A
/A GLN 158 NE2 /A ASN 248 OD1 no hydrogen 3.078 N/A
/A TYR 161 OH /A GLY 156 O no hydrogen 2.583 N/A
/A CYS 163 N /A ALA 195 O no hydrogen 2.944 N/A
/A CYS 163 SG /A ALA 195 O no hydrogen 3.928 N/A
/A GLY 164 N /A TYR 161 O no hydrogen 2.920 N/A
/A GLY 166 N /E GLU 230 OE1 no hydrogen 2.817 N/A
/A ALA 167 N /E HOH 632 O no hydrogen 2.797 N/A
/A ARG 169 N /A GLY 166 O no hydrogen 3.095 N/A
/A ARG 169 NE /A ASP 168 OD1 no hydrogen 3.131 N/A
/A ARG 169 NH2 /A ASP 168 OD1 no hydrogen 3.495 N/A
/A ARG 169 NH2 /A ASP 168 OD2 no hydrogen 3.020 N/A
/A ALA 170 N /A GLY 166 O no hydrogen 2.910 N/A
/A ARG 173 N /A HOH 716 O no hydrogen 2.979 N/A
/A ARG 173 NE /E GLU 230 OE2 no hydrogen 2.692 N/A
/A ARG 173 NH1 /A HOH 712 O no hydrogen 2.858 N/A
/A ARG 173 NH2 /A GLY 164 O no hydrogen 3.223 N/A
/A ARG 173 NH2 /E GLU 230 OE1 no hydrogen 2.941 N/A
/A GLU 177 N /A ARG 173 O no hydrogen 2.850 N/A
/A ALA 178 N /A ASP 174 O no hydrogen 2.963 N/A
/A HIS 179 N /A ILE 175 O no hydrogen 2.813 N/A
/A HIS 179 ND1 /A HOH 706 O no hydrogen 2.886 N/A
/A HIS 179 NE2 /A ALA 221 O no hydrogen 3.013 N/A
/A TYR 180 N /A VAL 176 O no hydrogen 3.064 N/A
/A TYR 180 OH /E THR 46 OG1 no hydrogen 2.595 N/A
/A ARG 181 N /A GLU 177 O no hydrogen 3.118 N/A
/A ARG 181 NH1 /E LEU 20 O no hydrogen 3.277 N/A
/A ALA 182 N /A ALA 178 O no hydrogen 2.756 N/A
/A CYS 183 N /A HIS 179 O no hydrogen 2.810 N/A
/A CYS 183 SG /A HIS 179 O no hydrogen 3.251 N/A
/A LEU 184 N /A TYR 180 O no hydrogen 3.007 N/A
/A TYR 185 N /A ARG 181 O no hydrogen 2.913 N/A
/A TYR 185 OH /A HOH 720 O no hydrogen 2.695 N/A
/A ALA 186 N /A ALA 182 O no hydrogen 2.819 N/A
/A GLY 187 N /A CYS 183 O no hydrogen 3.042 N/A
/A GLY 187 N /A LEU 184 O no hydrogen 3.200 N/A
/A VAL 188 N /A CYS 183 O no hydrogen 2.998 N/A
/A LYS 189 N /A HIS 217 ND1 no hydrogen 2.954 N/A
/A ILE 190 N /A VAL 188 O no hydrogen 2.938 N/A
/A ALA 191 N /A GLN 205 O no hydrogen 2.794 N/A
/A THR 193 N /E THR 44 O no hydrogen 3.035 N/A
/A ASN 194 N /A GLU 203 O no hydrogen 3.104 N/A
/A ASN 194 ND2 /A ALA 195 O no hydrogen 3.112 N/A
/A ASN 194 ND2 /A GLU 196 OE1 no hydrogen 3.333 N/A
/A ASN 194 ND2 /A GLU 203 OE1 no hydrogen 3.337 N/A
/A GLU 196 N /A GLN 201 O no hydrogen 2.913 N/A
/A VAL 197 N /A GLU 196 OE2 no hydrogen 2.928 N/A
/A GLN 201 N /A MET 198 O no hydrogen 2.855 N/A
/A GLN 201 NE2 /A GLY 249 O no hydrogen 2.994 N/A
/A TRP 202 N /A TYR 137 O no hydrogen 2.894 N/A
/A TRP 202 NE1 /A TYR 171 O no hydrogen 2.737 N/A
/A PHE 204 N /A GLN 135 O no hydrogen 3.116 N/A
/A GLN 205 N /A GLY 192 O no hydrogen 3.048 N/A
/A GLN 205 NE2 /A ASN 194 OD1 no hydrogen 2.998 N/A
/A GLN 205 NE2 /A GLU 203 OE2 no hydrogen 2.882 N/A
/A ILE 206 N /A MET 133 O no hydrogen 2.875 N/A
/A GLY 207 N /A LYS 189 O no hydrogen 2.922 N/A
/A CYS 209 N /A PHE 131 O no hydrogen 2.789 N/A
/A GLY 211 N /A PRO 129 O no hydrogen 3.085 N/A
/A SER 213 N /A GLU 210 O no hydrogen 3.200 N/A
/A SER 213 OG /A GLU 210 O no hydrogen 2.736 N/A
/A MET 214 N /A GLY 211 O no hydrogen 3.393 N/A
/A ASP 216 N /A ILE 212 O no hydrogen 3.453 N/A
/A HIS 217 N /A SER 213 O no hydrogen 2.886 N/A
/A LEU 218 N /A MET 214 O no hydrogen 3.041 N/A
/A TRP 219 N /A GLY 215 O no hydrogen 3.014 N/A
/A TRP 219 NE1 /A ASP 347 OD1 no hydrogen 2.894 N/A
/A VAL 220 N /A ASP 216 O no hydrogen 3.068 N/A
/A ALA 221 N /A HIS 217 O no hydrogen 2.831 N/A
/A ARG 222 N /A LEU 218 O no hydrogen 2.719 N/A
/A ARG 222 NE /A GLN 135 OE1 no hydrogen 2.916 N/A
/A ARG 222 NH1 /A CYS 346 O no hydrogen 2.934 N/A
/A ARG 222 NH2 /A GLN 135 OE1 no hydrogen 3.157 N/A
/A ARG 222 NH2 /A CYS 346 O no hydrogen 2.704 N/A
/A PHE 223 N /A TRP 219 O no hydrogen 2.883 N/A
/A ILE 224 N /A VAL 220 O no hydrogen 2.904 N/A
/A LEU 225 N /A ALA 221 O no hydrogen 2.977 N/A
/A HIS 226 N /A ARG 222 O no hydrogen 3.102 N/A
/A HIS 226 ND1 /A HOH 727 O no hydrogen 2.565 N/A
/A ARG 227 N /A PHE 223 O no hydrogen 3.070 N/A
/A ARG 227 NH1 /A ARG 227 O no hydrogen 2.940 N/A
/A ARG 227 NH1 /A ASP 231 OD1 no hydrogen 2.672 N/A
/A VAL 228 N /A ILE 224 O no hydrogen 2.918 N/A
/A CYS 229 N /A LEU 225 O no hydrogen 2.728 N/A
/A CYS 229 SG /A LEU 225 O no hydrogen 3.163 N/A
/A GLU 230 N /A HIS 226 O no hydrogen 2.765 N/A
/A ASP 231 N /A ARG 227 O no hydrogen 3.129 N/A
/A PHE 232 N /A VAL 228 O no hydrogen 3.175 N/A
/A GLY 233 N /A GLU 230 O no hydrogen 2.900 N/A
/A VAL 234 N /A CYS 229 O no hydrogen 3.051 N/A
/A ILE 235 N /A MET 140 O no hydrogen 2.990 N/A
/A ALA 236 N /A HOH 727 O no hydrogen 3.062 N/A
/A THR 237 N /A THR 138 O no hydrogen 2.943 N/A
/A ASP 239 N /A THR 237 OG1 no hydrogen 2.970 N/A
/A LYS 241 N /A ASP 239 OD2 no hydrogen 2.800 N/A
/A LYS 241 NZ /A GLY 245 O no hydrogen 3.558 N/A
/A LYS 241 NZ /A TRP 247 O no hydrogen 3.032 N/A
/A TRP 247 N /A GLY 245 O no hydrogen 2.772 N/A
/A ASN 248 N /A GLN 158 OE1 no hydrogen 2.873 N/A
/A ASN 248 ND2 /A GLU 305 OE2 no hydrogen 3.454 N/A
/A ASN 248 ND2 /A HOH 733 O no hydrogen 3.058 N/A
/A ALA 250 N /A PRO 240 O no hydrogen 2.891 N/A
/A GLY 251 N /A GLU 136 OE1 no hydrogen 3.073 N/A
/A CYS 252 N /A PRO 342 O no hydrogen 2.724 N/A
/A CYS 252 SG /A GLN 135 OE1 no hydrogen 4.026 N/A
/A HIS 253 NE2 /A P3S 601 O no hydrogen 2.681 N/A
/A THR 254 N /A ASP 339 O no hydrogen 2.825 N/A
/A THR 254 OG1 /A CYS 252 O no hydrogen 3.106 N/A
/A ASN 255 N /A GLY 132 O no hydrogen 2.611 N/A
/A ASN 255 ND2 /A GLY 132 O no hydrogen 3.078 N/A
/A ASN 255 ND2 /A GLU 134 OE2 no hydrogen 3.126 N/A
/A PHE 256 N /A PHE 337 O no hydrogen 2.915 N/A
/A SER 257 N /A TRP 130 O no hydrogen 3.003 N/A
/A SER 257 OG /A ADP 501 N1 no hydrogen 2.922 N/A
/A LYS 259 N /A GLN 127 O no hydrogen 3.017 N/A
/A MET 261 N /A THR 258 O no hydrogen 3.148 N/A
/A MET 261 N /A THR 258 OG1 no hydrogen 3.429 N/A
/A ARG 262 N /A THR 258 O no hydrogen 3.145 N/A
/A ARG 262 N /A LYS 259 O no hydrogen 3.062 N/A
/A ARG 262 NH1 /A HIS 128 O no hydrogen 3.247 N/A
/A ARG 262 NH1 /A SER 257 OG no hydrogen 2.824 N/A
/A ARG 262 NH2 /A HIS 128 O no hydrogen 3.013 N/A
/A GLU 263 N /A ALA 260 O no hydrogen 3.406 N/A
/A LEU 267 N /A LYS 333 O no hydrogen 3.083 N/A
/A LYS 268 NZ /A GLU 272 OE2 no hydrogen 2.981 N/A
/A TYR 269 N /A GLY 266 O no hydrogen 2.949 N/A
/A ILE 270 N /A GLY 266 O no hydrogen 3.016 N/A
/A GLU 271 N /A LEU 267 O no hydrogen 2.907 N/A
/A GLU 272 N /A LYS 268 O no hydrogen 3.104 N/A
/A ALA 273 N /A TYR 269 O no hydrogen 2.905 N/A
/A ILE 274 N /A ILE 270 O no hydrogen 2.941 N/A
/A GLU 275 N /A GLU 271 O no hydrogen 3.074 N/A
/A LYS 276 N /A GLU 272 O no hydrogen 3.281 N/A
/A LYS 276 NZ /A CYS 359 O no hydrogen 3.533 N/A
/A LYS 276 NZ /A ASN 362 OD1 no hydrogen 2.908 N/A
/A LEU 277 N /A ALA 273 O no hydrogen 3.052 N/A
/A SER 278 N /A ILE 274 O no hydrogen 2.899 N/A
/A SER 278 OG /A GLU 275 O no hydrogen 2.568 N/A
/A LYS 279 N /A LYS 276 O no hydrogen 3.339 N/A
/A ARG 280 N /A LEU 277 O no hydrogen 2.973 N/A
/A ARG 280 NE /A THR 358 OG1 no hydrogen 2.804 N/A
/A HIS 281 NE2 /A ILE 309 O no hydrogen 2.763 N/A
/A TYR 283 N /A ARG 280 O no hydrogen 3.286 N/A
/A HIS 284 N /A ARG 280 O no hydrogen 3.383 N/A
/A HIS 284 N /A HIS 281 O no hydrogen 3.128 N/A
/A HIS 284 ND1 /A TYR 288 OH no hydrogen 2.840 N/A
/A HIS 284 NE2 /A THR 358 OG1 no hydrogen 2.860 N/A
/A ILE 285 N /A HIS 281 O no hydrogen 3.160 N/A
/A ARG 286 N /A GLN 282 O no hydrogen 3.339 N/A
/A ALA 287 N /A HIS 284 O no hydrogen 2.782 N/A
/A TYR 288 N /A ILE 285 O no hydrogen 3.220 N/A
/A TYR 288 OH /A ASP 339 OD2 no hydrogen 2.429 N/A
/A LYS 291 N /A ASP 289 OD1 no hydrogen 3.021 N/A
/A GLY 292 N /A ASP 289 O no hydrogen 3.027 N/A
/A GLY 293 N /A ASP 289 OD1 no hydrogen 3.006 N/A
/A LEU 294 N /A LYS 291 O no hydrogen 3.348 N/A
/A ASN 296 N /A ASP 289 OD2 no hydrogen 3.048 N/A
/A ASN 296 ND2 /A ARG 341 O no hydrogen 3.026 N/A
/A ALA 297 N /A GLY 293 O no hydrogen 3.180 N/A
/A ARG 298 N /A ASP 295 O no hydrogen 3.132 N/A
/A ARG 298 NH1 /A ASP 239 OD2 no hydrogen 2.936 N/A
/A ARG 298 NH2 /A ASP 239 OD1 no hydrogen 2.970 N/A
/A ARG 298 NH2 /A ASP 239 OD2 no hydrogen 3.455 N/A
/A ARG 298 NH2 /A ASP 295 OD1 no hydrogen 3.177 N/A
/A ARG 299 N /A ASN 296 O no hydrogen 2.911 N/A
/A ARG 299 NE /A ASN 296 OD1 no hydrogen 3.161 N/A
/A ARG 299 NH1 /A ARG 340 O no hydrogen 3.504 N/A
/A ARG 299 NH1 /A P3S 601 OT no hydrogen 3.167 N/A
/A ARG 299 NH2 /A ASN 296 OD1 no hydrogen 3.124 N/A
/A LEU 300 N /A ASN 296 O no hydrogen 2.711 N/A
/A THR 301 N /A ARG 299 O no hydrogen 2.799 N/A
/A THR 301 N /A THR 306 OG1 no hydrogen 3.266 N/A
/A GLY 302 N /A THR 306 OG1 no hydrogen 3.029 N/A
/A PHE 303 N /A THR 301 OG1 no hydrogen 2.977 N/A
/A HIS 304 NE2 /A ASN 246 OD1 no hydrogen 2.744 N/A
/A THR 306 N /A PHE 303 O no hydrogen 3.078 N/A
/A THR 306 OG1 /A ARG 299 O no hydrogen 3.364 N/A
/A THR 306 OG1 /A PHE 303 O no hydrogen 2.685 N/A
/A THR 306 OG1 /A SER 307 O no hydrogen 3.447 N/A
/A SER 307 OG /A HOH 721 O no hydrogen 2.663 N/A
/A ASN 308 ND2 /A THR 301 O no hydrogen 3.259 N/A
/A ILE 309 N /A LEU 300 O no hydrogen 2.799 N/A
/A ASN 310 N /A ASN 308 OD1 no hydrogen 3.164 N/A
/A ASN 310 ND2 /A ASN 308 OD1 no hydrogen 2.993 N/A
/A ASP 311 N /A ASN 308 O no hydrogen 3.043 N/A
/A SER 313 N /A SER 322 OG no hydrogen 2.840 N/A
/A GLY 315 N /A ILE 323 O no hydrogen 3.139 N/A
/A ALA 317 N /A ILE 325 O no hydrogen 2.701 N/A
/A ARG 319 N /E GLY 72 O no hydrogen 3.022 N/A
/A ARG 319 NE /A P3S 601 O1A no hydrogen 2.982 N/A
/A ARG 319 NE /A P3S 601 OE no hydrogen 3.242 N/A
/A ARG 319 NH1 /A P3S 601 O1A no hydrogen 2.967 N/A
/A ARG 319 NH2 /E SER 75 OG no hydrogen 3.060 N/A
/A ARG 319 NH2 /E ASP 76 OD2 no hydrogen 3.012 N/A
/A SER 320 N /A ASN 318 OD1 no hydrogen 2.685 N/A
/A ALA 321 N /A ASN 318 O no hydrogen 3.383 N/A
/A SER 322 N /A SER 313 OG no hydrogen 3.137 N/A
/A SER 322 OG /A ASP 311 O no hydrogen 3.149 N/A
/A SER 322 OG /A HOH 721 O no hydrogen 2.459 N/A
/A ILE 323 N /A SER 313 O no hydrogen 2.890 N/A
/A ARG 324 N /A GLU 338 O no hydrogen 2.908 N/A
/A ARG 324 NE /E ASP 76 OD2 no hydrogen 3.102 N/A
/A ARG 324 NH1 /A GLU 338 OE1 no hydrogen 2.764 N/A
/A ARG 324 NH1 /A ADP 501 O3B no hydrogen 3.143 N/A
/A ARG 324 NH2 /A ADP 501 O2B no hydrogen 2.951 N/A
/A ARG 324 NH2 /E ASP 76 OD1 no hydrogen 3.236 N/A
/A ARG 324 NH2 /E ASP 76 OD2 no hydrogen 3.370 N/A
/A ILE 325 N /A GLY 315 O no hydrogen 3.056 N/A
/A ARG 327 N /E ASP 76 OD1 no hydrogen 3.029 N/A
/A ARG 327 NH1 /E ASN 74 OD1 no hydrogen 3.164 N/A
/A ARG 327 NH2 /E ASN 74 OD1 no hydrogen 2.932 N/A
/A ARG 327 NH2 /E ASP 76 O no hydrogen 2.907 N/A
/A GLY 330 N /A PRO 326 O no hydrogen 3.128 N/A
/A GLN 331 N /A ARG 327 O no hydrogen 2.971 N/A
/A GLU 332 N /A THR 328 O no hydrogen 2.915 N/A
/A LYS 334 NZ /A GLU 264 OE2 no hydrogen 2.611 N/A
/A GLY 335 N /A MET 261 O no hydrogen 2.785 N/A
/A PHE 337 N /A PHE 256 O no hydrogen 3.269 N/A
/A GLU 338 N /A ARG 324 O no hydrogen 2.997 N/A
/A ASP 339 N /A THR 254 O no hydrogen 2.799 N/A
/A ARG 340 N /A SER 322 O no hydrogen 2.954 N/A
/A ARG 340 NH1 /A GLU 338 OE1 no hydrogen 3.257 N/A
/A ARG 340 NH1 /A P3S 601 O2A no hydrogen 2.969 N/A
/A ARG 340 NH2 /A GLU 305 O no hydrogen 3.043 N/A
/A ARG 340 NH2 /A P3S 601 OE no hydrogen 2.965 N/A
/A ARG 341 N /A ASP 339 OD1 no hydrogen 2.972 N/A
/A ARG 341 NE /A ASP 339 OD1 no hydrogen 3.011 N/A
/A ARG 341 NH1 /A HIS 281 ND1 no hydrogen 2.935 N/A
/A ARG 341 NH2 /A ASP 339 OD2 no hydrogen 2.892 N/A
/A SER 343 N /A TYR 288 O no hydrogen 3.227 N/A
/A SER 343 OG /A ASN 345 OD1 no hydrogen 2.406 N/A
/A ALA 344 N /A ALA 250 O no hydrogen 3.072 N/A
/A ASN 345 N /A SER 343 OG no hydrogen 2.992 N/A
/A ASN 345 ND2 /A GLU 38 OE1 no hydrogen 3.215 N/A
/A ASN 345 ND2 /A ASP 295 OD2 no hydrogen 2.892 N/A
/A CYS 346 N /A SER 343 O no hydrogen 3.110 N/A
/A CYS 346 SG /A SER 343 O no hydrogen 3.367 N/A
/A PHE 349 N /A ASP 347 OD1 no hydrogen 2.932 N/A
/A SER 350 N /A ASP 347 O no hydrogen 2.811 N/A
/A SER 350 OG /A ALA 287 O no hydrogen 2.876 N/A
/A VAL 351 N /A ASP 347 O no hydrogen 3.123 N/A
/A THR 352 N /A PRO 348 O no hydrogen 2.898 N/A
/A THR 352 OG1 /A PRO 348 O no hydrogen 2.578 N/A
/A GLU 353 N /A PHE 349 O no hydrogen 3.203 N/A
/A ALA 354 N /A SER 350 O no hydrogen 3.058 N/A
/A LEU 355 N /A VAL 351 O no hydrogen 3.153 N/A
/A ILE 356 N /A THR 352 O no hydrogen 3.122 N/A
/A ARG 357 N /A GLU 353 O no hydrogen 2.990 N/A
/A ARG 357 NE /A GLU 353 OE2 no hydrogen 2.971 N/A
/A ARG 357 NH1 /A GLU 363 OE1 no hydrogen 3.420 N/A
/A ARG 357 NH1 /A GLU 363 OE2 no hydrogen 3.066 N/A
/A ARG 357 NH2 /A GLU 353 OE2 no hydrogen 3.008 N/A
/A THR 358 N /A ALA 354 O no hydrogen 3.075 N/A
/A THR 358 OG1 /A HIS 284 NE2 no hydrogen 2.860 N/A
/A THR 358 OG1 /A ALA 354 O no hydrogen 3.357 N/A
/A CYS 359 N /A LEU 355 O no hydrogen 2.841 N/A
/A CYS 359 SG /A ALA 273 O no hydrogen 3.957 N/A
/A LEU 360 N /A ILE 356 O no hydrogen 2.858 N/A
/A LEU 361 N /A ILE 356 O no hydrogen 3.127 N/A
/A GLU 363 N /A ARG 357 O no hydrogen 3.025 N/A
/A ADP 501 N6 /A SER 257 OG no hydrogen 3.101 N/A
/A P3S 601 N /A GLU 136 OE1 no hydrogen 2.707 N/A
/A P3S 601 N /A GLU 136 OE2 no hydrogen 3.395 N/A
/A P3S 601 N /A GLY 249 O no hydrogen 2.664 N/A
/A HOH 704 O /A GLU 134 OE1 no hydrogen 2.884 N/A
/A HOH 704 O /A GLU 203 OE1 no hydrogen 2.879 N/A
/A HOH 704 O /A HIS 253 ND1 no hydrogen 3.186 N/A
/A HOH 705 O /A LEU 40 O no hydrogen 2.700 N/A
/A HOH 706 O /A VAL 176 O no hydrogen 2.848 N/A
/A HOH 706 O /A HIS 179 ND1 no hydrogen 2.886 N/A
/A HOH 707 O /A GLU 196 O no hydrogen 3.086 N/A
/A HOH 707 O /A MET 198 O no hydrogen 3.176 N/A
/A HOH 707 O /A GLN 201 O no hydrogen 2.891 N/A
/A HOH 708 O /A ASP 92 OD1 no hydrogen 2.714 N/A
/A HOH 708 O /A ASN 94 O no hydrogen 2.474 N/A
/A HOH 709 O /A MET 84 O no hydrogen 3.645 N/A
/A HOH 710 O /A TYR 78 OH no hydrogen 2.507 N/A
/A HOH 710 O /A TYR 104 O no hydrogen 2.631 N/A
/A HOH 711 O /A HIS 226 O no hydrogen 3.199 N/A
/A HOH 711 O /A VAL 234 O no hydrogen 2.725 N/A
/A HOH 712 O /A GLU 177 OE2 no hydrogen 2.847 N/A
/A HOH 713 O /A THR 193 O no hydrogen 2.813 N/A
/A HOH 713 O /A GLN 205 OE1 no hydrogen 2.795 N/A
/A HOH 714 O /A GLN 22 O no hydrogen 2.653 N/A
/A HOH 715 O /A THR 111 O no hydrogen 2.813 N/A
/A HOH 715 O /A ASP 347 OD2 no hydrogen 2.614 N/A
/A HOH 716 O /A ALA 170 O no hydrogen 2.490 N/A
/A HOH 717 O /A PRO 155 O no hydrogen 2.809 N/A
/A HOH 718 O /A GLN 27 O no hydrogen 3.122 N/A
/A HOH 718 O /A ASP 87 OD2 no hydrogen 2.558 N/A
/A HOH 718 O /A LYS 95 O no hydrogen 2.831 N/A
/A HOH 719 O /A GLU 177 OE2 no hydrogen 2.655 N/A
/A HOH 720 O /A TYR 185 OH no hydrogen 2.695 N/A
/A HOH 721 O /A SER 307 OG no hydrogen 2.663 N/A
/A HOH 721 O /A ASN 308 O no hydrogen 3.315 N/A
/A HOH 721 O /A ASP 311 O no hydrogen 2.734 N/A
/A HOH 721 O /A SER 322 OG no hydrogen 2.459 N/A
/A HOH 722 O /A SER 66 O no hydrogen 2.794 N/A
/A HOH 723 O /A GLU 230 OE2 no hydrogen 2.803 N/A
/A HOH 723 O /A ASP 231 OD1 no hydrogen 2.893 N/A
/A HOH 724 O /A GLU 177 O no hydrogen 2.889 N/A
/A HOH 724 O /A GLU 177 OE1 no hydrogen 2.627 N/A
/A HOH 725 O /A GLU 177 OE1 no hydrogen 2.934 N/A
/A HOH 726 O /A ASP 34 OD2 no hydrogen 2.531 N/A
/A HOH 727 O /A HIS 226 ND1 no hydrogen 2.565 N/A
/A HOH 728 O /A CYS 42 O no hydrogen 2.640 N/A
/A HOH 729 O /A ASN 194 OD1 no hydrogen 2.719 N/A
/A HOH 729 O /A GLU 203 OE2 no hydrogen 2.728 N/A
/A HOH 730 O /A GLU 134 OE2 no hydrogen 3.196 N/A
/A HOH 730 O /A ASN 255 OD1 no hydrogen 2.694 N/A
/A HOH 733 O /A GLU 196 OE2 no hydrogen 2.494 N/A
/A HOH 733 O /A GLN 201 OE1 no hydrogen 2.792 N/A
/A HOH 734 O /A ASP 168 OD1 no hydrogen 2.657 N/A
/A HOH 734 O /A ASP 168 OD2 no hydrogen 3.438 N/A
/A HOH 735 O /A VAL 165 O no hydrogen 2.805 N/A
/B GLY 166 N /A GLU 230 OE1 no hydrogen 2.844 N/A
/B ARG 173 NE /A GLU 230 OE2 no hydrogen 2.851 N/A
/B ARG 173 NH2 /A GLU 230 OE1 no hydrogen 3.007 N/A
/B TYR 180 OH /A THR 46 OG1 no hydrogen 2.439 N/A
/B ARG 181 NH1 /A LEU 20 O no hydrogen 3.001 N/A
/B THR 193 N /A THR 44 O no hydrogen 3.063 N/A
/B ARG 319 N /A GLY 72 O no hydrogen 2.927 N/A
/B ARG 319 NH2 /A SER 75 OG no hydrogen 3.142 N/A
/B ARG 319 NH2 /A ASP 76 OD2 no hydrogen 2.960 N/A
/B ARG 324 NE /A ASP 76 OD2 no hydrogen 3.117 N/A
/B ARG 324 NH2 /A ASP 76 OD1 no hydrogen 3.295 N/A
/B ARG 324 NH2 /A ASP 76 OD2 no hydrogen 3.329 N/A
/B ARG 327 N /A ASP 76 OD1 no hydrogen 3.039 N/A
/B ARG 327 NH1 /A ASN 74 OD1 no hydrogen 3.004 N/A
/B ARG 327 NH2 /A ASN 74 OD1 no hydrogen 2.797 N/A
/B ARG 327 NH2 /A ASP 76 O no hydrogen 2.876 N/A
/B HOH 723 O /A GLU 230 OE2 no hydrogen 2.768 N/A
/B HOH 739 O /A SER 19 O no hydrogen 3.082 N/A
/E LYS 11 NZ /A ASP 174 OD1 no hydrogen 3.079 N/A
/E LYS 11 NZ /A ASP 174 OD2 no hydrogen 2.660 N/A
/E TYR 17 OH /A ASP 231 OD2 no hydrogen 2.498 N/A
/E ARG 41 NH1 /A GLY 159 O no hydrogen 3.054 N/A
/E ARG 41 NH1 /A TYR 162 O no hydrogen 2.899 N/A
/E ARG 41 NH2 /A GLY 159 O no hydrogen 3.411 N/A
/E CYS 42 N /A CYS 163 O no hydrogen 2.815 N/A
/E THR 44 N /A THR 193 O no hydrogen 3.153 N/A
/E THR 46 N /A ALA 191 O no hydrogen 2.911 N/A
/E THR 46 OG1 /A TYR 180 OH no hydrogen 2.595 N/A
/E THR 46 OG1 /A ILE 190 O no hydrogen 2.642 N/A
/E ASP 63 N /A TYR 162 OH no hydrogen 3.149 N/A
/E SER 66 OG /A GLU 305 OE1 no hydrogen 3.380 N/A
/E SER 75 N /A ALA 317 O no hydrogen 2.987 N/A
/E SER 75 OG /A ALA 317 O no hydrogen 2.964 N/A
/E ARG 90 NE /A GLU 177 OE1 no hydrogen 2.935 N/A
/E ARG 90 NH2 /A GLU 177 OE1 no hydrogen 3.567 N/A
/E ARG 90 NH2 /A GLU 177 OE2 no hydrogen 2.863 N/A
/F ASN 152 ND2 /A THR 142 O no hydrogen 3.153 N/A
/G PHE 154 N /A PHE 154 O no hydrogen 2.773 N/A
526 hydrogen bonds found
> ui tool show H-Bonds
> hbonds sel showDist true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 2qc8
682 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
/A LYS 11 NZ /B ASP 174 OD1 no hydrogen 3.001 N/A
/A LYS 11 NZ /B ASP 174 OD2 no hydrogen 2.773 N/A
/A TYR 17 OH /B ASP 231 OD2 no hydrogen 2.425 N/A
/A LYS 25 N /A HOH 714 O no hydrogen 2.895 N/A
/A GLN 27 NE2 /B HOH 722 O no hydrogen 3.303 N/A
/A ARG 41 NH1 /B GLY 159 O no hydrogen 3.031 N/A
/A ARG 41 NH1 /B TYR 162 O no hydrogen 2.767 N/A
/A ARG 41 NH2 /B GLY 159 O no hydrogen 3.238 N/A
/A CYS 42 N /B CYS 163 O no hydrogen 2.692 N/A
/A LYS 43 NZ /A HOH 732 O no hydrogen 2.757 N/A
/A THR 44 N /B THR 193 O no hydrogen 3.068 N/A
/A THR 46 N /B ALA 191 O no hydrogen 2.781 N/A
/A THR 46 OG1 /B TYR 180 OH no hydrogen 2.439 N/A
/A THR 46 OG1 /B ILE 190 O no hydrogen 2.719 N/A
/A ASP 63 N /B TYR 162 OH no hydrogen 3.087 N/A
/A SER 75 N /B ALA 317 O no hydrogen 2.785 N/A
/A SER 75 OG /B ALA 317 O no hydrogen 2.987 N/A
/A TYR 78 OH /A HOH 710 O no hydrogen 2.507 N/A
/A MET 84 N /A HOH 709 O no hydrogen 2.842 N/A
/A ARG 90 NE /B GLU 177 OE1 no hydrogen 2.798 N/A
/A ARG 90 NE /B GLU 177 OE2 no hydrogen 3.348 N/A
/A ARG 90 NH1 /A HOH 718 O no hydrogen 3.034 N/A
/A ARG 90 NH2 /B GLU 177 OE2 no hydrogen 2.885 N/A
/A LYS 95 NZ /A HOH 708 O no hydrogen 2.833 N/A
/A LEU 113 N /A HOH 715 O no hydrogen 3.077 N/A
/A ASN 152 ND2 /F THR 142 O no hydrogen 3.183 N/A
/A PHE 154 N /G PHE 154 O no hydrogen 2.823 N/A
/A GLY 166 N /E GLU 230 OE1 no hydrogen 2.817 N/A
/A ALA 167 N /E HOH 632 O no hydrogen 2.797 N/A
/A ARG 173 N /A HOH 716 O no hydrogen 2.979 N/A
/A ARG 173 NE /E GLU 230 OE2 no hydrogen 2.692 N/A
/A ARG 173 NH1 /A HOH 712 O no hydrogen 2.858 N/A
/A ARG 173 NH2 /E GLU 230 OE1 no hydrogen 2.941 N/A
/A HIS 179 ND1 /A HOH 706 O no hydrogen 2.886 N/A
/A TYR 180 OH /E THR 46 OG1 no hydrogen 2.595 N/A
/A ARG 181 NH1 /E LEU 20 O no hydrogen 3.277 N/A
/A TYR 185 OH /A HOH 720 O no hydrogen 2.695 N/A
/A THR 193 N /E THR 44 O no hydrogen 3.035 N/A
/A HIS 226 ND1 /A HOH 727 O no hydrogen 2.565 N/A
/A ALA 236 N /A HOH 727 O no hydrogen 3.062 N/A
/A ASN 248 ND2 /A HOH 733 O no hydrogen 3.058 N/A
/A HIS 253 NE2 /A P3S 601 O no hydrogen 2.681 N/A
/A SER 257 OG /A ADP 501 N1 no hydrogen 2.922 N/A
/A ARG 299 NH1 /A P3S 601 OT no hydrogen 3.167 N/A
/A SER 307 OG /A HOH 721 O no hydrogen 2.663 N/A
/A ARG 319 N /E GLY 72 O no hydrogen 3.022 N/A
/A ARG 319 NE /A P3S 601 O1A no hydrogen 2.982 N/A
/A ARG 319 NE /A P3S 601 OE no hydrogen 3.242 N/A
/A ARG 319 NH1 /A P3S 601 O1A no hydrogen 2.967 N/A
/A ARG 319 NH2 /E SER 75 OG no hydrogen 3.060 N/A
/A ARG 319 NH2 /E ASP 76 OD2 no hydrogen 3.012 N/A
/A SER 322 OG /A HOH 721 O no hydrogen 2.459 N/A
/A ARG 324 NE /E ASP 76 OD2 no hydrogen 3.102 N/A
/A ARG 324 NH1 /A ADP 501 O3B no hydrogen 3.143 N/A
/A ARG 324 NH2 /A ADP 501 O2B no hydrogen 2.951 N/A
/A ARG 324 NH2 /E ASP 76 OD1 no hydrogen 3.236 N/A
/A ARG 324 NH2 /E ASP 76 OD2 no hydrogen 3.370 N/A
/A ARG 327 N /E ASP 76 OD1 no hydrogen 3.029 N/A
/A ARG 327 NH1 /E ASN 74 OD1 no hydrogen 3.164 N/A
/A ARG 327 NH2 /E ASN 74 OD1 no hydrogen 2.932 N/A
/A ARG 327 NH2 /E ASP 76 O no hydrogen 2.907 N/A
/A ARG 340 NH1 /A P3S 601 O2A no hydrogen 2.969 N/A
/A ARG 340 NH2 /A P3S 601 OE no hydrogen 2.965 N/A
/A ADP 501 N6 /A SER 257 OG no hydrogen 3.101 N/A
/A P3S 601 N /A GLU 136 OE1 no hydrogen 2.707 N/A
/A P3S 601 N /A GLU 136 OE2 no hydrogen 3.395 N/A
/A P3S 601 N /A GLY 249 O no hydrogen 2.664 N/A
/A P3S 601 N /A HOH 733 O no hydrogen 2.655 N/A
/A HOH 704 O /A GLU 134 OE1 no hydrogen 2.884 N/A
/A HOH 704 O /A GLU 203 OE1 no hydrogen 2.879 N/A
/A HOH 704 O /A HIS 253 ND1 no hydrogen 3.186 N/A
/A HOH 705 O /A LEU 40 O no hydrogen 2.700 N/A
/A HOH 705 O /B VAL 165 O no hydrogen 3.365 N/A
/A HOH 706 O /A VAL 176 O no hydrogen 2.848 N/A
/A HOH 706 O /A HIS 179 ND1 no hydrogen 2.886 N/A
/A HOH 707 O /A GLU 196 O no hydrogen 3.086 N/A
/A HOH 707 O /A MET 198 O no hydrogen 3.176 N/A
/A HOH 707 O /A GLN 201 O no hydrogen 2.891 N/A
/A HOH 708 O /A ASP 92 OD1 no hydrogen 2.714 N/A
/A HOH 708 O /A ASN 94 O no hydrogen 2.474 N/A
/A HOH 709 O /A MET 84 O no hydrogen 3.645 N/A
/A HOH 710 O /A TYR 78 OH no hydrogen 2.507 N/A
/A HOH 710 O /A TYR 104 O no hydrogen 2.631 N/A
/A HOH 711 O /A HIS 226 O no hydrogen 3.199 N/A
/A HOH 711 O /A VAL 234 O no hydrogen 2.725 N/A
/A HOH 711 O /A HOH 727 O no hydrogen 2.704 N/A
/A HOH 712 O /A GLU 177 OE2 no hydrogen 2.847 N/A
/A HOH 713 O /A THR 193 O no hydrogen 2.813 N/A
/A HOH 713 O /A GLN 205 OE1 no hydrogen 2.795 N/A
/A HOH 713 O /A HOH 731 O no hydrogen 2.919 N/A
/A HOH 713 O /E THR 44 O no hydrogen 3.235 N/A
/A HOH 714 O /A GLN 22 O no hydrogen 2.653 N/A
/A HOH 715 O /A THR 111 O no hydrogen 2.813 N/A
/A HOH 715 O /A ASP 347 OD2 no hydrogen 2.614 N/A
/A HOH 716 O /A ALA 170 O no hydrogen 2.490 N/A
/A HOH 716 O /E GLU 230 OE2 no hydrogen 2.811 N/A
/A HOH 717 O /A PRO 155 O no hydrogen 2.809 N/A
/A HOH 718 O /A GLN 27 O no hydrogen 3.122 N/A
/A HOH 718 O /A ASP 87 OD2 no hydrogen 2.558 N/A
/A HOH 718 O /A LYS 95 O no hydrogen 2.831 N/A
/A HOH 719 O /A GLU 177 OE2 no hydrogen 2.655 N/A
/A HOH 719 O /E HOH 616 O no hydrogen 2.899 N/A
/A HOH 720 O /A TYR 185 OH no hydrogen 2.695 N/A
/A HOH 721 O /A SER 307 OG no hydrogen 2.663 N/A
/A HOH 721 O /A ASN 308 O no hydrogen 3.315 N/A
/A HOH 721 O /A ASP 311 O no hydrogen 2.734 N/A
/A HOH 721 O /A SER 322 OG no hydrogen 2.459 N/A
/A HOH 722 O /A SER 66 O no hydrogen 2.794 N/A
/A HOH 722 O /B GLY 159 O no hydrogen 3.274 N/A
/A HOH 722 O /B HOH 708 O no hydrogen 2.803 N/A
/A HOH 723 O /A GLU 230 OE2 no hydrogen 2.803 N/A
/A HOH 723 O /A ASP 231 OD1 no hydrogen 2.893 N/A
/A HOH 724 O /A GLU 177 O no hydrogen 2.889 N/A
/A HOH 724 O /A GLU 177 OE1 no hydrogen 2.627 N/A
/A HOH 725 O /A GLU 177 OE1 no hydrogen 2.934 N/A
/A HOH 725 O /E PHE 89 O no hydrogen 3.323 N/A
/A HOH 726 O /A ASP 34 OD2 no hydrogen 2.531 N/A
/A HOH 727 O /A HIS 226 ND1 no hydrogen 2.565 N/A
/A HOH 727 O /A HOH 711 O no hydrogen 2.704 N/A
/A HOH 728 O /A CYS 42 O no hydrogen 2.640 N/A
/A HOH 729 O /A ASN 194 OD1 no hydrogen 2.719 N/A
/A HOH 729 O /A GLU 203 OE2 no hydrogen 2.728 N/A
/A HOH 730 O /A GLU 134 OE2 no hydrogen 3.196 N/A
/A HOH 730 O /A ASN 255 OD1 no hydrogen 2.694 N/A
/A HOH 730 O /A ADP 501 O3B no hydrogen 2.554 N/A
/A HOH 731 O /A HOH 713 O no hydrogen 2.919 N/A
/A HOH 731 O /A HOH 729 O no hydrogen 2.665 N/A
/A HOH 732 O /B ADP 501 O1A no hydrogen 2.872 N/A
/A HOH 732 O /B HOH 741 O no hydrogen 2.745 N/A
/A HOH 733 O /A GLU 196 OE2 no hydrogen 2.494 N/A
/A HOH 733 O /A GLN 201 OE1 no hydrogen 2.792 N/A
/A HOH 734 O /A ASP 168 OD1 no hydrogen 2.657 N/A
/A HOH 734 O /A ASP 168 OD2 no hydrogen 3.438 N/A
/A HOH 734 O /A HOH 735 O no hydrogen 2.776 N/A
/A HOH 734 O /E HOH 631 O no hydrogen 2.949 N/A
/A HOH 735 O /A VAL 165 O no hydrogen 2.805 N/A
/A HOH 735 O /A HOH 734 O no hydrogen 2.776 N/A
/A HOH 735 O /E HOH 633 O no hydrogen 2.390 N/A
/B LYS 91 NZ /B HOH 739 O no hydrogen 1.691 N/A
/B VAL 165 N /A HOH 705 O no hydrogen 2.953 N/A
/B GLY 166 N /A GLU 230 OE1 no hydrogen 2.844 N/A
/B ALA 167 N /A HOH 711 O no hydrogen 2.971 N/A
/B ARG 173 N /B HOH 723 O no hydrogen 2.929 N/A
/B ARG 173 NE /A GLU 230 OE2 no hydrogen 2.851 N/A
/B ARG 173 NH2 /A GLU 230 OE1 no hydrogen 3.007 N/A
/B ARG 173 NH2 /B GLY 164 O no hydrogen 3.312 N/A
/B TYR 180 OH /A THR 46 OG1 no hydrogen 2.439 N/A
/B ARG 181 NH1 /A LEU 20 O no hydrogen 3.001 N/A
/B THR 193 N /A THR 44 O no hydrogen 3.063 N/A
/B ALA 195 N /A HOH 728 O no hydrogen 2.961 N/A
/B ARG 319 N /A GLY 72 O no hydrogen 2.927 N/A
/B ARG 319 NH2 /A SER 75 OG no hydrogen 3.142 N/A
/B ARG 319 NH2 /A ASP 76 OD2 no hydrogen 2.960 N/A
/B ARG 324 NE /A ASP 76 OD2 no hydrogen 3.117 N/A
/B ARG 324 NH2 /A ASP 76 OD1 no hydrogen 3.295 N/A
/B ARG 324 NH2 /A ASP 76 OD2 no hydrogen 3.329 N/A
/B ARG 324 NH2 /B ADP 501 O1B no hydrogen 2.892 N/A
/B ARG 327 N /A ASP 76 OD1 no hydrogen 3.039 N/A
/B ARG 327 NH1 /A ASN 74 OD1 no hydrogen 3.004 N/A
/B ARG 327 NH2 /A ASN 74 OD1 no hydrogen 2.797 N/A
/B ARG 327 NH2 /A ASP 76 O no hydrogen 2.876 N/A
/B HOH 708 O /A HOH 722 O no hydrogen 2.803 N/A
/B HOH 717 O /B ILE 190 O no hydrogen 2.683 N/A
/B HOH 722 O /B GLU 177 O no hydrogen 2.705 N/A
/B HOH 722 O /B GLU 177 OE1 no hydrogen 2.575 N/A
/B HOH 723 O /A GLU 230 OE2 no hydrogen 2.768 N/A
/B HOH 723 O /B ALA 170 O no hydrogen 2.655 N/A
/B HOH 739 O /A SER 19 O no hydrogen 3.082 N/A
/B HOH 741 O /A HOH 732 O no hydrogen 2.745 N/A
/C ASN 152 ND2 /I THR 142 O no hydrogen 2.942 N/A
/D PHE 154 N /I PHE 154 O no hydrogen 2.716 N/A
/E LYS 11 NZ /A ASP 174 OD1 no hydrogen 3.079 N/A
/E LYS 11 NZ /A ASP 174 OD2 no hydrogen 2.660 N/A
/E LYS 14 NZ /A HOH 725 O no hydrogen 3.018 N/A
/E TYR 17 OH /A ASP 231 OD2 no hydrogen 2.498 N/A
/E GLN 27 NE2 /A HOH 724 O no hydrogen 3.229 N/A
/E ARG 41 NH1 /A GLY 159 O no hydrogen 3.054 N/A
/E ARG 41 NH1 /A TYR 162 O no hydrogen 2.899 N/A
/E ARG 41 NH2 /A GLY 159 O no hydrogen 3.411 N/A
/E ARG 41 NH2 /E ASP 34 OD2 no hydrogen 3.087 N/A
/E CYS 42 N /A CYS 163 O no hydrogen 2.815 N/A
/E THR 44 N /A THR 193 O no hydrogen 3.153 N/A
/E THR 46 N /A ALA 191 O no hydrogen 2.911 N/A
/E THR 46 OG1 /A TYR 180 OH no hydrogen 2.595 N/A
/E THR 46 OG1 /A ILE 190 O no hydrogen 2.642 N/A
/E ASP 63 N /A TYR 162 OH no hydrogen 3.149 N/A
/E SER 66 OG /A GLU 305 OE1 no hydrogen 3.380 N/A
/E SER 66 OG /E ASP 63 OD2 no hydrogen 2.768 N/A
/E SER 75 N /A ALA 317 O no hydrogen 2.987 N/A
/E SER 75 OG /A ALA 317 O no hydrogen 2.964 N/A
/E SER 75 OG /E GLY 72 O no hydrogen 2.739 N/A
/E ARG 90 NE /A GLU 177 OE1 no hydrogen 2.935 N/A
/E ARG 90 NH2 /A GLU 177 OE1 no hydrogen 3.567 N/A
/E ARG 90 NH2 /A GLU 177 OE2 no hydrogen 2.863 N/A
/E ARG 90 NH2 /E THR 44 OG1 no hydrogen 3.010 N/A
/E ARG 227 NE /A HOH 719 O no hydrogen 3.169 N/A
/E ARG 227 NH2 /A HOH 719 O no hydrogen 3.098 N/A
/E HOH 616 O /A HOH 719 O no hydrogen 2.899 N/A
/E HOH 631 O /A HOH 734 O no hydrogen 2.949 N/A
/E HOH 631 O /E HOH 632 O no hydrogen 2.978 N/A
/E HOH 632 O /E HIS 226 O no hydrogen 3.323 N/A
/E HOH 632 O /E VAL 234 O no hydrogen 2.614 N/A
/E HOH 632 O /E HOH 631 O no hydrogen 2.978 N/A
/E HOH 633 O /A HOH 735 O no hydrogen 2.390 N/A
/F ASN 152 ND2 /A THR 142 O no hydrogen 3.153 N/A
/G PHE 154 N /A PHE 154 O no hydrogen 2.773 N/A
/H LYS 11 NZ /I ASP 174 OD1 no hydrogen 3.069 N/A
/H LYS 11 NZ /I ASP 174 OD2 no hydrogen 2.617 N/A
/H TYR 17 OH /I ASP 231 OD2 no hydrogen 2.403 N/A
/H ARG 41 NH1 /I GLY 159 O no hydrogen 3.063 N/A
/H ARG 41 NH1 /I TYR 162 O no hydrogen 2.735 N/A
/H ARG 41 NH2 /I GLY 159 O no hydrogen 3.192 N/A
/H CYS 42 N /I CYS 163 O no hydrogen 2.930 N/A
/H THR 44 N /I THR 193 O no hydrogen 3.023 N/A
/H THR 46 N /I ALA 191 O no hydrogen 2.775 N/A
/H THR 46 OG1 /I TYR 180 OH no hydrogen 2.676 N/A
/H THR 46 OG1 /I ILE 190 O no hydrogen 2.729 N/A
/H ASP 63 N /I TYR 162 OH no hydrogen 2.993 N/A
/H SER 66 OG /I GLU 305 OE1 no hydrogen 3.347 N/A
/H SER 75 N /I ALA 317 O no hydrogen 3.057 N/A
/H SER 75 OG /I ALA 317 O no hydrogen 3.145 N/A
/H ARG 90 NE /I GLU 177 OE1 no hydrogen 2.800 N/A
/H ARG 90 NH2 /I GLU 177 OE2 no hydrogen 2.937 N/A
/H HOH 602 O /I VAL 165 O no hydrogen 3.324 N/A
/I LYS 11 NZ /I ASP 231 O no hydrogen 3.362 N/A
/I LYS 11 NZ /J ASP 174 OD1 no hydrogen 3.384 N/A
/I LYS 11 NZ /J ASP 174 OD2 no hydrogen 2.849 N/A
/I ILE 13 N /I ASN 10 O no hydrogen 3.171 N/A
/I LYS 14 N /I ASN 10 O no hydrogen 3.509 N/A
/I GLN 15 N /I LYS 11 O no hydrogen 2.847 N/A
/I VAL 16 N /I GLY 12 O no hydrogen 3.241 N/A
/I VAL 16 N /I ILE 13 O no hydrogen 3.096 N/A
/I TYR 17 N /I ILE 13 O no hydrogen 3.461 N/A
/I TYR 17 OH /J ASP 231 OD2 no hydrogen 2.371 N/A
/I MET 18 N /I LYS 14 O no hydrogen 2.936 N/A
/I SER 19 N /I GLN 15 O no hydrogen 3.126 N/A
/I SER 19 N /I VAL 16 O no hydrogen 3.166 N/A
/I SER 19 OG /I GLN 15 O no hydrogen 2.906 N/A
/I LEU 20 N /I TYR 17 O no hydrogen 3.248 N/A
/I GLN 22 NE2 /I LYS 25 O no hydrogen 2.968 N/A
/I GLN 22 NE2 /I ASN 94 OD1 no hydrogen 2.927 N/A
/I VAL 26 N /I LEU 47 O no hydrogen 2.997 N/A
/I GLN 27 N /I ASN 94 OD1 no hydrogen 2.791 N/A
/I ALA 28 N /I ARG 45 O no hydrogen 2.918 N/A
/I MET 29 N /I LYS 95 O no hydrogen 2.989 N/A
/I TYR 30 N /I LYS 43 O no hydrogen 2.736 N/A
/I TYR 30 OH /I PRO 58 O no hydrogen 2.658 N/A
/I ILE 31 N /I VAL 97 O no hydrogen 2.730 N/A
/I TRP 32 N /I ARG 41 O no hydrogen 2.897 N/A
/I ASP 34 N /I GLY 39 O no hydrogen 2.826 N/A
/I GLY 35 N /I THR 67 O no hydrogen 3.171 N/A
/I THR 36 N /I ASP 34 OD1 no hydrogen 2.775 N/A
/I THR 36 OG1 /I ASP 34 OD1 no hydrogen 2.438 N/A
/I GLY 37 N /I ASP 34 O no hydrogen 3.234 N/A
/I GLU 38 N /I THR 36 OG1 no hydrogen 3.034 N/A
/I GLY 39 N /I THR 36 OG1 no hydrogen 2.959 N/A
/I ARG 41 N /I TRP 32 O no hydrogen 2.774 N/A
/I ARG 41 NE /I ASP 34 OD2 no hydrogen 3.095 N/A
/I ARG 41 NH1 /J GLY 159 O no hydrogen 3.037 N/A
/I ARG 41 NH1 /J TYR 162 O no hydrogen 2.882 N/A
/I ARG 41 NH2 /I ASP 34 OD2 no hydrogen 3.164 N/A
/I ARG 41 NH2 /J GLY 159 O no hydrogen 3.424 N/A
/I CYS 42 N /J CYS 163 O no hydrogen 2.805 N/A
/I LYS 43 N /I TYR 30 O no hydrogen 3.210 N/A
/I LYS 43 NZ /I ASN 61 O no hydrogen 2.928 N/A
/I THR 44 N /J THR 193 O no hydrogen 2.950 N/A
/I ARG 45 N /I ALA 28 O no hydrogen 2.990 N/A
/I ARG 45 NH1 /I GLU 59 O no hydrogen 3.393 N/A
/I THR 46 N /J ALA 191 O no hydrogen 2.860 N/A
/I THR 46 OG1 /J TYR 180 OH no hydrogen 2.629 N/A
/I THR 46 OG1 /J ILE 190 O no hydrogen 2.717 N/A
/I LEU 47 N /I VAL 26 O no hydrogen 2.705 N/A
/I LYS 52 N /I GLU 56 OE1 no hydrogen 3.146 N/A
/I CYS 53 SG /I GLU 55 OE1 no hydrogen 3.520 N/A
/I GLU 56 N /I CYS 53 O no hydrogen 2.869 N/A
/I LEU 57 N /I VAL 54 O no hydrogen 3.479 N/A
/I TRP 60 N /I LEU 79 O no hydrogen 2.860 N/A
/I PHE 62 N /I MET 77 O no hydrogen 3.032 N/A
/I ASP 63 N /J TYR 162 OH no hydrogen 3.014 N/A
/I GLY 64 N /I SER 75 O no hydrogen 3.109 N/A
/I SER 65 N /I ASP 63 OD1 no hydrogen 3.092 N/A
/I SER 65 OG /I ASP 63 OD1 no hydrogen 2.756 N/A
/I SER 65 OG /I ASP 63 OD2 no hydrogen 3.498 N/A
/I SER 66 N /I ASP 63 O no hydrogen 3.034 N/A
/I SER 66 OG /I ASP 63 OD2 no hydrogen 2.636 N/A
/I SER 66 OG /J GLU 305 OE1 no hydrogen 3.372 N/A
/I SER 66 OG /J GLU 305 OE2 no hydrogen 3.001 N/A
/I THR 67 N /I GLY 64 O no hydrogen 3.283 N/A
/I THR 67 OG1 /I GLY 64 O no hydrogen 3.517 N/A
/I GLN 69 N /I GLY 64 O no hydrogen 2.761 N/A
/I GLN 69 NE2 /I THR 67 OG1 no hydrogen 2.550 N/A
/I SER 70 N /I GLY 64 O no hydrogen 3.120 N/A
/I SER 70 OG /I SER 75 O no hydrogen 2.913 N/A
/I ASN 74 N /I GLU 71 O no hydrogen 3.068 N/A
/I SER 75 N /J ALA 317 O no hydrogen 3.083 N/A
/I SER 75 OG /I GLY 72 O no hydrogen 2.991 N/A
/I SER 75 OG /J ALA 317 O no hydrogen 3.146 N/A
/I MET 77 N /I PHE 62 O no hydrogen 2.994 N/A
/I TYR 78 N /I PHE 102 O no hydrogen 2.924 N/A
/I LEU 79 N /I TRP 60 O no hydrogen 2.642 N/A
/I VAL 80 N /I GLU 100 O no hydrogen 3.028 N/A
/I ALA 82 N /I LEU 98 O no hydrogen 2.789 N/A
/I ALA 83 N /I LEU 98 O no hydrogen 3.181 N/A
/I PHE 85 N /I LEU 96 O no hydrogen 2.846 N/A
/I ARG 86 N /I ALA 186 O no hydrogen 3.012 N/A
/I ARG 86 NE /I ASP 92 OD1 no hydrogen 3.174 N/A
/I ARG 86 NE /I ASP 92 OD2 no hydrogen 3.330 N/A
/I ARG 86 NH2 /I ASP 92 OD2 no hydrogen 2.703 N/A
/I ASP 87 N /I ASN 94 O no hydrogen 3.241 N/A
/I PHE 89 N /I ASP 87 OD1 no hydrogen 2.882 N/A
/I ARG 90 N /I ASP 87 OD1 no hydrogen 3.156 N/A
/I ARG 90 NE /J GLU 177 OE1 no hydrogen 2.947 N/A
/I ARG 90 NE /J GLU 177 OE2 no hydrogen 3.387 N/A
/I ARG 90 NH1 /I THR 44 OG1 no hydrogen 3.182 N/A
/I ARG 90 NH1 /I HOH 712 O no hydrogen 2.909 N/A
/I ARG 90 NH2 /I THR 44 OG1 no hydrogen 3.030 N/A
/I ARG 90 NH2 /J GLU 177 OE2 no hydrogen 2.818 N/A
/I LYS 91 N /I ASP 87 O no hydrogen 2.690 N/A
/I ASP 92 N /I TYR 185 OH no hydrogen 3.057 N/A
/I ASN 94 N /I LYS 91 O no hydrogen 3.058 N/A
/I ASN 94 ND2 /I GLN 22 OE1 no hydrogen 2.888 N/A
/I ASN 94 ND2 /I ARG 90 O no hydrogen 3.288 N/A
/I ASN 94 ND2 /I LYS 91 O no hydrogen 3.192 N/A
/I LYS 95 N /I GLN 27 O no hydrogen 2.911 N/A
/I LYS 95 NZ /I GLU 50 OE2 no hydrogen 2.820 N/A
/I LYS 95 NZ /I HOH 710 O no hydrogen 2.897 N/A
/I LEU 96 N /I PHE 85 O no hydrogen 2.859 N/A
/I VAL 97 N /I MET 29 O no hydrogen 2.840 N/A
/I LEU 98 N /I ALA 83 O no hydrogen 2.798 N/A
/I CYS 99 N /I ILE 31 O no hydrogen 2.861 N/A
/I CYS 99 SG /I VAL 97 O no hydrogen 3.900 N/A
/I GLU 100 N /I VAL 80 O no hydrogen 2.913 N/A
/I PHE 102 N /I TYR 78 O no hydrogen 3.197 N/A
/I LYS 103 N /I ARG 107 O no hydrogen 2.698 N/A
/I LYS 103 NZ /I GLU 110 OE2 no hydrogen 3.066 N/A
/I ARG 106 N /I LYS 103 O no hydrogen 2.807 N/A
/I ARG 107 N /I ASN 105 OD1 no hydrogen 2.651 N/A
/I ALA 109 N /I VAL 101 O no hydrogen 3.136 N/A
/I GLU 110 N /I GLU 110 OE1 no hydrogen 2.740 N/A
/I THR 111 OG1 /I ASP 34 O no hydrogen 2.564 N/A
/I THR 111 OG1 /I GLN 69 OE1 no hydrogen 3.400 N/A
/I THR 111 OG1 /I HOH 716 O no hydrogen 3.083 N/A
/I ASN 112 N /I ALA 109 O no hydrogen 3.054 N/A
/I ASN 112 ND2 /I GLU 100 OE1 no hydrogen 2.723 N/A
/I ASN 112 ND2 /I VAL 101 O no hydrogen 3.091 N/A
/I ARG 114 NE /I ASP 216 OD1 no hydrogen 2.785 N/A
/I ARG 114 NH1 /I GLU 100 OE2 no hydrogen 3.005 N/A
/I ARG 114 NH2 /I ASP 216 OD1 no hydrogen 3.441 N/A
/I ARG 114 NH2 /I ASP 216 OD2 no hydrogen 2.861 N/A
/I HIS 115 N /I ASN 112 OD1 no hydrogen 3.090 N/A
/I CYS 117 N /I LEU 113 O no hydrogen 3.309 N/A
/I CYS 117 SG /I PHE 349 O no hydrogen 3.325 N/A
/I CYS 117 SG /I THR 352 OG1 no hydrogen 3.366 N/A
/I LYS 118 N /I ARG 114 O no hydrogen 2.828 N/A
/I ARG 119 N /I HIS 115 O no hydrogen 3.493 N/A
/I ILE 120 N /I THR 116 O no hydrogen 3.183 N/A
/I MET 121 N /I CYS 117 O no hydrogen 2.892 N/A
/I ASP 122 N /I LYS 118 O no hydrogen 3.018 N/A
/I MET 123 N /I ARG 119 O no hydrogen 2.892 N/A
/I MET 123 N /I ILE 120 O no hydrogen 3.208 N/A
/I VAL 124 N /I MET 121 O no hydrogen 3.354 N/A
/I GLN 127 N /I VAL 124 O no hydrogen 3.094 N/A
/I HIS 128 N /I SER 125 O no hydrogen 3.067 N/A
/I HIS 128 ND1 /I GLU 210 OE2 no hydrogen 2.661 N/A
/I TRP 130 N /I SER 257 O no hydrogen 2.925 N/A
/I PHE 131 N /I CYS 209 O no hydrogen 2.917 N/A
/I GLY 132 N /I ASN 255 O no hydrogen 2.985 N/A
/I MET 133 N /I ILE 206 O no hydrogen 3.081 N/A
/I GLU 134 N /I HIS 253 O no hydrogen 2.938 N/A
/I GLN 135 N /I PHE 204 O no hydrogen 2.824 N/A
/I GLN 135 NE2 /I GLU 136 O no hydrogen 2.786 N/A
/I GLN 135 NE2 /I ALA 344 O no hydrogen 2.861 N/A
/I GLU 136 N /I GLY 251 O no hydrogen 3.238 N/A
/I TYR 137 N /I TRP 202 O no hydrogen 3.100 N/A
/I THR 138 N /I THR 237 O no hydrogen 3.167 N/A
/I LEU 139 N /I ALA 200 O no hydrogen 2.922 N/A
/I MET 140 N /I ILE 235 O no hydrogen 2.783 N/A
/I GLY 141 N /I HIS 145 O no hydrogen 2.694 N/A
/I GLY 144 N /I GLY 141 O no hydrogen 3.168 N/A
/I HIS 145 N /I ASP 143 OD1 no hydrogen 3.032 N/A
/I HIS 145 NE2 /I PRO 150 O no hydrogen 2.841 N/A
/I HIS 145 NE2 /I GLY 153 O no hydrogen 3.112 N/A
/I PHE 147 N /I LEU 139 O no hydrogen 3.009 N/A
/I TRP 149 N /I PRO 146 O no hydrogen 3.215 N/A
/I TRP 149 NE1 /I PRO 199 O no hydrogen 3.017 N/A
/I ASN 152 ND2 /C THR 142 O no hydrogen 2.954 N/A
/I GLY 153 N /I PRO 150 O no hydrogen 3.031 N/A
/I PHE 154 N /D PHE 154 O no hydrogen 2.813 N/A
/I GLN 158 NE2 /I ASN 248 OD1 no hydrogen 3.012 N/A
/I TYR 161 OH /I GLY 156 O no hydrogen 2.674 N/A
/I CYS 163 N /I ALA 195 O no hydrogen 3.040 N/A
/I GLY 164 N /I TYR 161 O no hydrogen 2.905 N/A
/I VAL 165 N /H HOH 602 O no hydrogen 2.907 N/A
/I GLY 166 N /H GLU 230 OE1 no hydrogen 2.888 N/A
/I ARG 169 N /I GLY 166 O no hydrogen 2.854 N/A
/I ARG 169 NE /I ASP 168 OD1 no hydrogen 3.054 N/A
/I ARG 169 NH2 /I ASP 168 OD1 no hydrogen 3.459 N/A
/I ARG 169 NH2 /I ASP 168 OD2 no hydrogen 2.736 N/A
/I ALA 170 N /I GLY 166 O no hydrogen 3.042 N/A
/I ARG 173 N /I HOH 713 O no hydrogen 2.886 N/A
/I ARG 173 NE /H GLU 230 OE2 no hydrogen 2.728 N/A
/I ARG 173 NH2 /H GLU 230 OE1 no hydrogen 2.962 N/A
/I ARG 173 NH2 /I GLY 164 O no hydrogen 3.137 N/A
/I GLU 177 N /I ARG 173 O no hydrogen 2.720 N/A
/I ALA 178 N /I ASP 174 O no hydrogen 2.835 N/A
/I HIS 179 N /I ILE 175 O no hydrogen 2.844 N/A
/I HIS 179 NE2 /I ALA 221 O no hydrogen 2.914 N/A
/I TYR 180 N /I VAL 176 O no hydrogen 2.995 N/A
/I TYR 180 OH /H THR 46 OG1 no hydrogen 2.676 N/A
/I ARG 181 N /I GLU 177 O no hydrogen 3.138 N/A
/I ARG 181 NH1 /H LEU 20 O no hydrogen 3.160 N/A
/I ARG 181 NH2 /H ARG 90 O no hydrogen 3.066 N/A
/I ALA 182 N /I ALA 178 O no hydrogen 2.833 N/A
/I CYS 183 N /I HIS 179 O no hydrogen 2.935 N/A
/I CYS 183 SG /I HIS 179 O no hydrogen 3.190 N/A
/I LEU 184 N /I TYR 180 O no hydrogen 3.171 N/A
/I TYR 185 N /I ARG 181 O no hydrogen 3.098 N/A
/I ALA 186 N /I ALA 182 O no hydrogen 2.786 N/A
/I GLY 187 N /I CYS 183 O no hydrogen 2.875 N/A
/I GLY 187 N /I LEU 184 O no hydrogen 3.150 N/A
/I VAL 188 N /I CYS 183 O no hydrogen 2.811 N/A
/I LYS 189 N /I HIS 217 ND1 no hydrogen 2.958 N/A
/I ALA 191 N /I GLN 205 O no hydrogen 2.647 N/A
/I THR 193 N /H THR 44 O no hydrogen 3.000 N/A
/I ASN 194 N /I GLU 203 O no hydrogen 3.203 N/A
/I ASN 194 ND2 /I ALA 195 O no hydrogen 2.879 N/A
/I ASN 194 ND2 /I GLU 196 OE1 no hydrogen 3.559 N/A
/I ASN 194 ND2 /I GLU 203 OE1 no hydrogen 3.562 N/A
/I GLU 196 N /I GLN 201 O no hydrogen 2.813 N/A
/I VAL 197 N /I GLU 196 OE2 no hydrogen 2.948 N/A
/I MET 198 N /I GLN 201 OE1 no hydrogen 3.490 N/A
/I GLN 201 N /I MET 198 O no hydrogen 2.971 N/A
/I GLN 201 NE2 /I GLY 249 O no hydrogen 2.902 N/A
/I TRP 202 N /I TYR 137 O no hydrogen 2.908 N/A
/I TRP 202 NE1 /I TYR 171 O no hydrogen 2.883 N/A
/I PHE 204 N /I GLN 135 O no hydrogen 3.030 N/A
/I GLN 205 N /I GLY 192 O no hydrogen 3.032 N/A
/I GLN 205 NE2 /I ASN 194 OD1 no hydrogen 3.139 N/A
/I GLN 205 NE2 /I GLU 203 OE2 no hydrogen 2.886 N/A
/I ILE 206 N /I MET 133 O no hydrogen 2.985 N/A
/I GLY 207 N /I LYS 189 O no hydrogen 2.814 N/A
/I CYS 209 N /I PHE 131 O no hydrogen 2.733 N/A
/I CYS 209 SG /I SER 213 O no hydrogen 3.887 N/A
/I GLY 211 N /I PRO 129 O no hydrogen 2.869 N/A
/I SER 213 N /I GLU 210 O no hydrogen 3.215 N/A
/I SER 213 OG /I GLU 210 O no hydrogen 2.816 N/A
/I MET 214 N /I GLY 211 O no hydrogen 3.144 N/A
/I ASP 216 N /I ILE 212 O no hydrogen 3.335 N/A
/I HIS 217 N /I SER 213 O no hydrogen 2.916 N/A
/I LEU 218 N /I MET 214 O no hydrogen 2.839 N/A
/I TRP 219 N /I GLY 215 O no hydrogen 2.923 N/A
/I TRP 219 NE1 /I ASP 347 OD1 no hydrogen 3.272 N/A
/I VAL 220 N /I ASP 216 O no hydrogen 3.162 N/A
/I ALA 221 N /I HIS 217 O no hydrogen 2.792 N/A
/I ARG 222 N /I LEU 218 O no hydrogen 2.770 N/A
/I ARG 222 NE /I GLN 135 OE1 no hydrogen 3.049 N/A
/I ARG 222 NH1 /I CYS 346 O no hydrogen 2.985 N/A
/I ARG 222 NH2 /I GLN 135 OE1 no hydrogen 3.233 N/A
/I ARG 222 NH2 /I CYS 346 O no hydrogen 2.679 N/A
/I PHE 223 N /I TRP 219 O no hydrogen 2.861 N/A
/I ILE 224 N /I VAL 220 O no hydrogen 2.821 N/A
/I LEU 225 N /I ALA 221 O no hydrogen 2.937 N/A
/I HIS 226 N /I ARG 222 O no hydrogen 3.021 N/A
/I ARG 227 N /I PHE 223 O no hydrogen 2.939 N/A
/I ARG 227 NH1 /I ARG 227 O no hydrogen 2.884 N/A
/I ARG 227 NH1 /I ASP 231 OD1 no hydrogen 2.923 N/A
/I VAL 228 N /I ILE 224 O no hydrogen 2.763 N/A
/I CYS 229 N /I LEU 225 O no hydrogen 2.845 N/A
/I CYS 229 SG /I LEU 225 O no hydrogen 3.157 N/A
/I GLU 230 N /I HIS 226 O no hydrogen 2.969 N/A
/I ASP 231 N /I ARG 227 O no hydrogen 3.266 N/A
/I PHE 232 N /I VAL 228 O no hydrogen 3.398 N/A
/I GLY 233 N /I GLU 230 O no hydrogen 3.030 N/A
/I VAL 234 N /I CYS 229 O no hydrogen 3.092 N/A
/I ILE 235 N /I MET 140 O no hydrogen 2.951 N/A
/I THR 237 N /I THR 138 O no hydrogen 2.937 N/A
/I ASP 239 N /I THR 237 OG1 no hydrogen 2.867 N/A
/I LYS 241 N /I ASP 239 OD2 no hydrogen 3.021 N/A
/I LYS 241 NZ /I GLY 245 O no hydrogen 3.373 N/A
/I LYS 241 NZ /I TRP 247 O no hydrogen 2.679 N/A
/I ILE 243 N /I HOH 715 O no hydrogen 3.028 N/A
/I TRP 247 N /I GLY 245 O no hydrogen 2.839 N/A
/I ASN 248 N /I GLN 158 OE1 no hydrogen 2.819 N/A
/I ASN 248 ND2 /I GLU 305 OE2 no hydrogen 3.386 N/A
/I ALA 250 N /I PRO 240 O no hydrogen 2.666 N/A
/I GLY 251 N /I GLU 136 OE1 no hydrogen 2.826 N/A
/I CYS 252 N /I PRO 342 O no hydrogen 2.859 N/A
/I CYS 252 SG /I GLN 135 OE1 no hydrogen 3.948 N/A
/I HIS 253 NE2 /I P3S 601 O no hydrogen 3.058 N/A
/I THR 254 N /I ASP 339 O no hydrogen 2.964 N/A
/I THR 254 OG1 /I CYS 252 O no hydrogen 3.137 N/A
/I ASN 255 N /I GLY 132 O no hydrogen 2.706 N/A
/I ASN 255 ND2 /I GLY 132 O no hydrogen 3.346 N/A
/I ASN 255 ND2 /I GLU 134 OE2 no hydrogen 3.154 N/A
/I PHE 256 N /I PHE 337 O no hydrogen 2.860 N/A
/I SER 257 N /I TRP 130 O no hydrogen 3.138 N/A
/I SER 257 OG /I ADP 501 N1 no hydrogen 2.906 N/A
/I LYS 259 N /I GLN 127 O no hydrogen 2.903 N/A
/I ARG 262 N /I THR 258 O no hydrogen 2.960 N/A
/I ARG 262 NH1 /I HIS 128 O no hydrogen 3.314 N/A
/I ARG 262 NH1 /I SER 257 OG no hydrogen 2.876 N/A
/I ARG 262 NH2 /I HIS 128 O no hydrogen 3.118 N/A
/I GLU 263 N /I LYS 259 O no hydrogen 2.952 N/A
/I GLU 263 N /I ALA 260 O no hydrogen 3.255 N/A
/I GLY 266 N /I GLU 263 O no hydrogen 3.016 N/A
/I LEU 267 N /I LYS 333 O no hydrogen 2.960 N/A
/I TYR 269 N /I GLY 266 O no hydrogen 2.836 N/A
/I ILE 270 N /I GLY 266 O no hydrogen 3.009 N/A
/I GLU 271 N /I LEU 267 O no hydrogen 2.789 N/A
/I GLU 272 N /I LYS 268 O no hydrogen 3.208 N/A
/I ALA 273 N /I TYR 269 O no hydrogen 2.876 N/A
/I ILE 274 N /I ILE 270 O no hydrogen 2.976 N/A
/I GLU 275 N /I GLU 271 O no hydrogen 3.084 N/A
/I LYS 276 N /I GLU 272 O no hydrogen 3.158 N/A
/I LYS 276 NZ /I CYS 359 O no hydrogen 3.253 N/A
/I LYS 276 NZ /I ASN 362 OD1 no hydrogen 2.555 N/A
/I LEU 277 N /I ALA 273 O no hydrogen 3.143 N/A
/I SER 278 N /I ILE 274 O no hydrogen 2.917 N/A
/I SER 278 OG /I GLU 275 O no hydrogen 2.291 N/A
/I LYS 279 N /I LYS 276 O no hydrogen 3.282 N/A
/I ARG 280 N /I LEU 277 O no hydrogen 3.000 N/A
/I ARG 280 NE /I THR 358 OG1 no hydrogen 3.088 N/A
/I HIS 281 NE2 /I ILE 309 O no hydrogen 2.615 N/A
/I GLN 282 N /I GLN 282 OE1 no hydrogen 3.320 N/A
/I HIS 284 N /I ARG 280 O no hydrogen 3.313 N/A
/I HIS 284 ND1 /I TYR 288 OH no hydrogen 3.047 N/A
/I HIS 284 NE2 /I THR 358 OG1 no hydrogen 2.715 N/A
/I ILE 285 N /I HIS 281 O no hydrogen 2.974 N/A
/I ARG 286 N /I GLN 282 O no hydrogen 2.846 N/A
/I ALA 287 N /I TYR 283 O no hydrogen 3.154 N/A
/I TYR 288 N /I ILE 285 O no hydrogen 3.095 N/A
/I TYR 288 OH /I ASP 339 OD2 no hydrogen 2.407 N/A
/I LYS 291 N /I ASP 289 OD1 no hydrogen 3.045 N/A
/I GLY 292 N /I ASP 289 O no hydrogen 3.146 N/A
/I GLY 293 N /I ASP 289 OD1 no hydrogen 2.806 N/A
/I LEU 294 N /I LYS 291 O no hydrogen 3.139 N/A
/I ASN 296 N /I ASP 289 OD2 no hydrogen 3.145 N/A
/I ASN 296 ND2 /I ARG 341 O no hydrogen 3.050 N/A
/I ALA 297 N /I GLY 293 O no hydrogen 3.082 N/A
/I ARG 298 N /I ASP 295 O no hydrogen 3.110 N/A
/I ARG 298 NH1 /I ASP 239 OD2 no hydrogen 2.926 N/A
/I ARG 298 NH2 /I ASP 239 OD1 no hydrogen 2.868 N/A
/I ARG 298 NH2 /I ASP 239 OD2 no hydrogen 3.367 N/A
/I ARG 298 NH2 /I ASP 295 OD1 no hydrogen 3.285 N/A
/I ARG 299 N /I ASN 296 O no hydrogen 2.915 N/A
/I ARG 299 NE /I ASN 296 OD1 no hydrogen 3.082 N/A
/I ARG 299 NH1 /I P3S 601 OT no hydrogen 3.074 N/A
/I ARG 299 NH2 /I ASN 296 OD1 no hydrogen 3.343 N/A
/I LEU 300 N /I ASN 296 O no hydrogen 2.778 N/A
/I THR 301 N /I THR 306 OG1 no hydrogen 3.291 N/A
/I GLY 302 N /I THR 306 OG1 no hydrogen 3.088 N/A
/I PHE 303 N /I THR 301 OG1 no hydrogen 3.171 N/A
/I HIS 304 NE2 /I ASN 246 OD1 no hydrogen 3.006 N/A
/I THR 306 N /I PHE 303 O no hydrogen 3.052 N/A
/I THR 306 OG1 /I ARG 299 O no hydrogen 3.308 N/A
/I THR 306 OG1 /I PHE 303 O no hydrogen 2.523 N/A
/I THR 306 OG1 /I SER 307 O no hydrogen 3.452 N/A
/I SER 307 OG /I HOH 717 O no hydrogen 3.076 N/A
/I ASN 308 ND2 /I THR 301 O no hydrogen 3.426 N/A
/I ILE 309 N /I LEU 300 O no hydrogen 3.108 N/A
/I ASN 310 N /I ASN 308 OD1 no hydrogen 2.915 N/A
/I ASN 310 ND2 /I ASN 308 OD1 no hydrogen 2.989 N/A
/I ASP 311 N /I ASN 308 O no hydrogen 3.042 N/A
/I SER 313 N /I SER 322 OG no hydrogen 3.165 N/A
/I SER 313 OG /I SER 322 OG no hydrogen 3.331 N/A
/I GLY 315 N /I ILE 323 O no hydrogen 3.101 N/A
/I ALA 317 N /I ILE 325 O no hydrogen 2.713 N/A
/I ARG 319 N /H GLY 72 O no hydrogen 3.158 N/A
/I ARG 319 NE /I P3S 601 O1A no hydrogen 3.358 N/A
/I ARG 319 NE /I P3S 601 O2A no hydrogen 3.474 N/A
/I ARG 319 NE /I P3S 601 OE no hydrogen 3.425 N/A
/I ARG 319 NH1 /I P3S 601 O1A no hydrogen 2.998 N/A
/I ARG 319 NH1 /I P3S 601 O2A no hydrogen 3.373 N/A
/I ARG 319 NH2 /H SER 75 OG no hydrogen 3.333 N/A
/I SER 320 N /I ASN 318 OD1 no hydrogen 2.888 N/A
/I SER 320 OG /I HOH 711 O no hydrogen 2.940 N/A
/I ALA 321 N /I ASN 318 O no hydrogen 3.295 N/A
/I SER 322 N /I SER 313 OG no hydrogen 3.156 N/A
/I SER 322 OG /I SER 313 OG no hydrogen 3.331 N/A
/I SER 322 OG /I HOH 717 O no hydrogen 2.586 N/A
/I ILE 323 N /I SER 313 O no hydrogen 2.970 N/A
/I ARG 324 N /I GLU 338 O no hydrogen 2.955 N/A
/I ARG 324 NH1 /I GLU 338 OE1 no hydrogen 2.596 N/A
/I ARG 324 NH1 /I ADP 501 O2B no hydrogen 3.006 N/A
/I ARG 324 NH2 /H ASP 76 OD1 no hydrogen 3.241 N/A
/I ARG 324 NH2 /I ADP 501 O1B no hydrogen 2.986 N/A
/I ILE 325 N /I GLY 315 O no hydrogen 3.084 N/A
/I ARG 327 N /H ASP 76 OD1 no hydrogen 3.041 N/A
/I ARG 327 NE /H ASP 76 O no hydrogen 3.458 N/A
/I ARG 327 NH1 /H ASN 74 OD1 no hydrogen 3.105 N/A
/I ARG 327 NH2 /H ASN 74 O no hydrogen 3.429 N/A
/I ARG 327 NH2 /H ASN 74 OD1 no hydrogen 2.818 N/A
/I ARG 327 NH2 /H ASP 76 O no hydrogen 2.838 N/A
/I GLY 330 N /I PRO 326 O no hydrogen 3.121 N/A
/I GLN 331 N /I ARG 327 O no hydrogen 2.880 N/A
/I GLU 332 N /I THR 328 O no hydrogen 3.024 N/A
/I LYS 333 N /I VAL 329 O no hydrogen 2.797 N/A
/I LYS 334 NZ /I GLU 264 OE2 no hydrogen 3.172 N/A
/I GLY 335 N /I MET 261 O no hydrogen 2.975 N/A
/I PHE 337 N /I PHE 256 O no hydrogen 3.080 N/A
/I GLU 338 N /I ARG 324 O no hydrogen 3.042 N/A
/I ASP 339 N /I THR 254 O no hydrogen 2.748 N/A
/I ARG 340 N /I SER 322 O no hydrogen 2.832 N/A
/I ARG 340 NH1 /I GLU 338 OE1 no hydrogen 3.373 N/A
/I ARG 340 NH1 /I P3S 601 O2A no hydrogen 3.004 N/A
/I ARG 340 NH2 /I GLU 305 O no hydrogen 2.898 N/A
/I ARG 340 NH2 /I P3S 601 OE no hydrogen 3.127 N/A
/I ARG 341 N /I ASP 339 OD1 no hydrogen 3.217 N/A
/I ARG 341 NE /I ASP 339 OD1 no hydrogen 2.905 N/A
/I ARG 341 NH1 /I HIS 281 ND1 no hydrogen 3.121 N/A
/I ARG 341 NH2 /I ASP 339 OD2 no hydrogen 3.007 N/A
/I SER 343 N /I TYR 288 O no hydrogen 3.141 N/A
/I SER 343 OG /I ASN 345 OD1 no hydrogen 2.351 N/A
/I ALA 344 N /I ALA 250 O no hydrogen 3.201 N/A
/I ASN 345 N /I SER 343 OG no hydrogen 3.244 N/A
/I ASN 345 ND2 /I GLU 38 OE1 no hydrogen 3.439 N/A
/I ASN 345 ND2 /I ASP 295 OD2 no hydrogen 2.791 N/A
/I CYS 346 N /I SER 343 O no hydrogen 3.158 N/A
/I CYS 346 SG /I SER 343 O no hydrogen 3.460 N/A
/I PHE 349 N /I ASP 347 OD1 no hydrogen 2.852 N/A
/I SER 350 N /I ASP 347 O no hydrogen 2.865 N/A
/I SER 350 OG /I ALA 287 O no hydrogen 2.659 N/A
/I VAL 351 N /I ASP 347 O no hydrogen 3.133 N/A
/I THR 352 N /I PRO 348 O no hydrogen 2.827 N/A
/I THR 352 OG1 /I PRO 348 O no hydrogen 2.628 N/A
/I THR 352 OG1 /I PHE 349 O no hydrogen 3.381 N/A
/I GLU 353 N /I PHE 349 O no hydrogen 3.068 N/A
/I ALA 354 N /I SER 350 O no hydrogen 3.039 N/A
/I LEU 355 N /I VAL 351 O no hydrogen 3.253 N/A
/I ILE 356 N /I THR 352 O no hydrogen 3.299 N/A
/I ARG 357 N /I GLU 353 O no hydrogen 2.997 N/A
/I ARG 357 NE /I GLU 353 OE2 no hydrogen 3.142 N/A
/I ARG 357 NH1 /I GLU 363 OE1 no hydrogen 3.534 N/A
/I ARG 357 NH1 /I GLU 363 OE2 no hydrogen 3.137 N/A
/I ARG 357 NH2 /I GLU 353 OE2 no hydrogen 2.999 N/A
/I THR 358 N /I ALA 354 O no hydrogen 2.882 N/A
/I THR 358 OG1 /I HIS 284 NE2 no hydrogen 2.715 N/A
/I THR 358 OG1 /I ALA 354 O no hydrogen 3.437 N/A
/I CYS 359 N /I LEU 355 O no hydrogen 2.766 N/A
/I CYS 359 SG /I ALA 273 O no hydrogen 3.822 N/A
/I LEU 360 N /I ILE 356 O no hydrogen 2.851 N/A
/I LEU 361 N /I ILE 356 O no hydrogen 2.928 N/A
/I GLU 363 N /I ARG 357 O no hydrogen 3.075 N/A
/I ADP 501 N6 /I SER 257 OG no hydrogen 3.204 N/A
/I P3S 601 N /I GLU 136 OE1 no hydrogen 2.663 N/A
/I P3S 601 N /I GLU 136 OE2 no hydrogen 3.274 N/A
/I P3S 601 N /I GLY 249 O no hydrogen 2.753 N/A
/I HOH 710 O /I ASP 92 OD1 no hydrogen 2.384 N/A
/I HOH 710 O /I ASN 94 O no hydrogen 2.496 N/A
/I HOH 711 O /I GLY 302 O no hydrogen 2.951 N/A
/I HOH 711 O /I THR 306 O no hydrogen 2.709 N/A
/I HOH 711 O /I SER 320 OG no hydrogen 2.940 N/A
/I HOH 712 O /I GLN 27 O no hydrogen 2.929 N/A
/I HOH 712 O /I ASP 87 OD2 no hydrogen 2.559 N/A
/I HOH 712 O /I LYS 95 O no hydrogen 3.038 N/A
/I HOH 713 O /I ALA 170 O no hydrogen 2.550 N/A
/I HOH 714 O /I GLU 177 OE1 no hydrogen 2.910 N/A
/I HOH 715 O /I ILE 243 O no hydrogen 2.591 N/A
/I HOH 715 O /I ASN 248 O no hydrogen 2.898 N/A
/I HOH 716 O /I ILE 33 O no hydrogen 2.842 N/A
/I HOH 716 O /I GLN 69 OE1 no hydrogen 3.491 N/A
/I HOH 716 O /I THR 111 OG1 no hydrogen 3.083 N/A
/I HOH 717 O /I SER 307 OG no hydrogen 3.076 N/A
/I HOH 717 O /I ASN 308 O no hydrogen 3.152 N/A
/I HOH 717 O /I ASP 311 O no hydrogen 2.705 N/A
/I HOH 717 O /I SER 322 OG no hydrogen 2.586 N/A
/I HOH 718 O /I ASN 194 OD1 no hydrogen 2.691 N/A
/I HOH 719 O /I ASN 255 OD1 no hydrogen 2.521 N/A
/J GLY 166 N /I GLU 230 OE1 no hydrogen 2.804 N/A
/J ARG 173 NE /I GLU 230 OE2 no hydrogen 2.648 N/A
/J ARG 173 NH2 /I GLU 230 OE1 no hydrogen 3.014 N/A
/J TYR 180 OH /I THR 46 OG1 no hydrogen 2.629 N/A
/J ARG 181 NH1 /I LEU 20 O no hydrogen 3.130 N/A
/J THR 193 N /I THR 44 O no hydrogen 2.991 N/A
/J ARG 319 N /I GLY 72 O no hydrogen 3.071 N/A
/J ARG 319 NH2 /I SER 75 OG no hydrogen 2.990 N/A
/J ARG 324 NE /I ASP 76 OD1 no hydrogen 3.474 N/A
/J ARG 324 NH2 /I ASP 76 OD1 no hydrogen 3.133 N/A
/J ARG 327 N /I ASP 76 OD1 no hydrogen 3.163 N/A
/J ARG 327 NH1 /I ASN 74 OD1 no hydrogen 3.221 N/A
/J ARG 327 NH2 /I ASN 74 OD1 no hydrogen 2.804 N/A
/J ARG 327 NH2 /I ASP 76 O no hydrogen 2.993 N/A
682 hydrogen bonds found
> close
> open 2qc8
2qc8 title:
Crystal structure of human glutamine synthetase in complex with ADP and
methionine sulfoximine phosphate [more info...]
Chain information for 2qc8 #1
---
Chain | Description | UniProt
A B C D E F G H I J | Glutamine synthetase | GLNA_HUMAN 5-365
Non-standard residues in 2qc8 #1
---
ADP — adenosine-5'-diphosphate
CL — chloride ion
MN — manganese (II) ion
P3S — L-methionine-S-sulfoximine phosphate
> select /B:3-372
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> hide solvent
> select /C:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /D:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /E:3-372
2811 atoms, 2886 bonds, 355 residues, 1 model selected
> hide sel
> select /F:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /G:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /H:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /H:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> select /I:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /J:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select :CL
10 atoms, 10 residues, 1 model selected
> hide sel
> select /C:401@MN
1 atom, 1 residue, 1 model selected
> hide sel
> select clear
> select add #1
28837 atoms, 29326 bonds, 175 pseudobonds, 3850 residues, 2 models selected
> select subtract #1
Nothing selected
> select /B:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> show sel
> save "/Users/isabelladibiasio/Desktop/GlnS bound MSO.cxs"
> select add #1
28837 atoms, 29326 bonds, 175 pseudobonds, 3850 residues, 2 models selected
> open https://www.rbvi.ucsf.edu/chimerax/tutorials.html
Opened https://www.rbvi.ucsf.edu/chimerax/tutorials.html
> style ball
Changed 28837 atom styles
> style stick
Changed 28837 atom styles
> show sel cartoons
> select /A:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> select /C:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select /D:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> select add #1
28837 atoms, 29326 bonds, 175 pseudobonds, 3850 residues, 2 models selected
> select subtract #1
Nothing selected
> select /C:10-365
2815 atoms, 2890 bonds, 356 residues, 1 model selected
> hide sel
> select add #1
28837 atoms, 29326 bonds, 175 pseudobonds, 3850 residues, 2 models selected
> select subtract #1
Nothing selected
> select add #1
28837 atoms, 29326 bonds, 175 pseudobonds, 3850 residues, 2 models selected
> select subtract #1
Nothing selected
> undo
> select add #1
28837 atoms, 29326 bonds, 175 pseudobonds, 3850 residues, 2 models selected
> close
> open "/Users/isabelladibiasio/Desktop/GlnS bound MSO.cxs" format session
opened ChimeraX session
> select add #1
28837 atoms, 29326 bonds, 175 pseudobonds, 3850 residues, 2 models selected
> select subtract #1
Nothing selected
> style stick
Changed 28837 atom styles
> show cartoons
> hide cartoons
> show cartoons
> hide cartoons
> style sphere
Changed 28837 atom styles
> style stick
Changed 28837 atom styles
> select :P3S
150 atoms, 140 bonds, 10 residues, 1 model selected
> view sel
> hide ~sel
> hbonds :P3S reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 2qc8
121 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
/A HIS 253 NE2 /A P3S 601 O no hydrogen 2.681 N/A
/A ARG 299 NH1 /A P3S 601 OT no hydrogen 3.167 N/A
/A ARG 319 NE /A P3S 601 O1A no hydrogen 2.982 N/A
/A ARG 319 NE /A P3S 601 OE no hydrogen 3.242 N/A
/A ARG 319 NH1 /A P3S 601 O1A no hydrogen 2.967 N/A
/A ARG 340 NH1 /A P3S 601 O2A no hydrogen 2.969 N/A
/A ARG 340 NH2 /A P3S 601 OE no hydrogen 2.965 N/A
/A P3S 601 N /A GLU 136 OE1 no hydrogen 2.707 N/A
/A P3S 601 N /A GLU 136 OE2 no hydrogen 3.395 N/A
/A P3S 601 N /A GLY 249 O no hydrogen 2.664 N/A
/A P3S 601 N /A HOH 733 O no hydrogen 2.655 N/A
/B HIS 253 NE2 /B P3S 601 O no hydrogen 2.621 N/A
/B ARG 299 NH1 /B P3S 601 OT no hydrogen 3.037 N/A
/B ARG 319 NE /B P3S 601 O1A no hydrogen 2.927 N/A
/B ARG 319 NE /B P3S 601 OE no hydrogen 3.059 N/A
/B ARG 319 NH1 /B P3S 601 O1A no hydrogen 2.787 N/A
/B ARG 340 NH1 /B P3S 601 O2A no hydrogen 3.220 N/A
/B ARG 340 NH2 /B P3S 601 OE no hydrogen 3.192 N/A
/B P3S 601 N /B GLU 136 OE1 no hydrogen 2.685 N/A
/B P3S 601 N /B GLU 136 OE2 no hydrogen 3.568 N/A
/B P3S 601 N /B GLY 249 O no hydrogen 2.500 N/A
/B HOH 718 O /B P3S 601 OT no hydrogen 2.603 N/A
/B HOH 741 O /B P3S 601 O3A no hydrogen 3.311 N/A
/B HOH 744 O /B P3S 601 O3A no hydrogen 2.918 N/A
/C HIS 253 NE2 /C P3S 601 O no hydrogen 2.561 N/A
/C ARG 299 NH1 /C P3S 601 OT no hydrogen 2.934 N/A
/C ARG 319 NE /C P3S 601 O1A no hydrogen 3.258 N/A
/C ARG 319 NE /C P3S 601 OE no hydrogen 3.250 N/A
/C ARG 319 NH1 /C P3S 601 O1A no hydrogen 3.015 N/A
/C ARG 340 NH1 /C P3S 601 O2A no hydrogen 3.313 N/A
/C ARG 340 NH2 /C P3S 601 OE no hydrogen 3.060 N/A
/C P3S 601 N /C GLU 136 OE1 no hydrogen 2.671 N/A
/C P3S 601 N /C GLU 136 OE2 no hydrogen 3.184 N/A
/C P3S 601 N /C GLY 249 O no hydrogen 2.862 N/A
/C P3S 601 N /C HOH 730 O no hydrogen 2.710 N/A
/C HOH 704 O /C P3S 601 OT no hydrogen 2.778 N/A
/C HOH 740 O /C P3S 601 O3A no hydrogen 2.731 N/A
/D HIS 253 NE2 /D P3S 601 O no hydrogen 2.787 N/A
/D ARG 299 NH1 /D P3S 601 OT no hydrogen 3.081 N/A
/D ARG 319 NE /D P3S 601 O1A no hydrogen 3.015 N/A
/D ARG 319 NE /D P3S 601 OE no hydrogen 3.228 N/A
/D ARG 319 NH1 /D P3S 601 O1A no hydrogen 3.052 N/A
/D ARG 340 NH1 /D P3S 601 O2A no hydrogen 3.204 N/A
/D ARG 340 NH2 /D P3S 601 OE no hydrogen 3.172 N/A
/D P3S 601 N /D GLU 136 OE1 no hydrogen 2.769 N/A
/D P3S 601 N /D GLU 136 OE2 no hydrogen 3.291 N/A
/D P3S 601 N /D GLY 249 O no hydrogen 2.821 N/A
/D P3S 601 N /D HOH 711 O no hydrogen 2.672 N/A
/E HIS 253 NE2 /E P3S 601 O no hydrogen 2.761 N/A
/E ARG 299 NH1 /E P3S 601 OT no hydrogen 3.174 N/A
/E ARG 319 NE /E P3S 601 O1A no hydrogen 2.979 N/A
/E ARG 319 NE /E P3S 601 OE no hydrogen 3.237 N/A
/E ARG 319 NH1 /E P3S 601 O1A no hydrogen 3.014 N/A
/E ARG 340 NH1 /E P3S 601 O2A no hydrogen 3.258 N/A
/E ARG 340 NH2 /E P3S 601 OE no hydrogen 3.174 N/A
/E P3S 601 N /E GLU 136 OE1 no hydrogen 2.644 N/A
/E P3S 601 N /E GLU 136 OE2 no hydrogen 3.463 N/A
/E P3S 601 N /E GLY 249 O no hydrogen 2.745 N/A
/E P3S 601 NE /E HOH 629 O no hydrogen 3.237 N/A
/E P3S 601 O3A /E GLU 134 OE1 no hydrogen 2.958 N/A
/E P3S 601 O3A /E ADP 501 O3B no hydrogen 2.929 N/A
/E HOH 629 O /E P3S 601 O3A no hydrogen 2.602 N/A
/F HIS 253 NE2 /F P3S 601 O no hydrogen 2.805 N/A
/F ARG 299 NH1 /F P3S 601 OT no hydrogen 2.873 N/A
/F ARG 319 NE /F P3S 601 O1A no hydrogen 3.349 N/A
/F ARG 319 NE /F P3S 601 O2A no hydrogen 3.486 N/A
/F ARG 319 NE /F P3S 601 OE no hydrogen 3.321 N/A
/F ARG 319 NH1 /F P3S 601 O1A no hydrogen 3.177 N/A
/F ARG 340 NH1 /F P3S 601 O2A no hydrogen 2.797 N/A
/F ARG 340 NH2 /F P3S 601 OE no hydrogen 3.034 N/A
/F P3S 601 N /F GLU 136 OE1 no hydrogen 2.618 N/A
/F P3S 601 N /F GLU 136 OE2 no hydrogen 3.283 N/A
/F P3S 601 N /F GLY 249 O no hydrogen 2.573 N/A
/F P3S 601 N /F HOH 712 O no hydrogen 2.773 N/A
/F P3S 601 NE /F GLU 136 OE2 no hydrogen 3.229 N/A
/G HIS 253 NE2 /G P3S 601 O no hydrogen 2.785 N/A
/G ARG 299 NH1 /G P3S 601 OT no hydrogen 2.907 N/A
/G ARG 319 NE /G P3S 601 O1A no hydrogen 2.695 N/A
/G ARG 319 NE /G P3S 601 OE no hydrogen 3.178 N/A
/G ARG 319 NH1 /G P3S 601 O1A no hydrogen 2.829 N/A
/G ARG 340 NH1 /G P3S 601 O2A no hydrogen 3.137 N/A
/G ARG 340 NH2 /G P3S 601 OE no hydrogen 3.276 N/A
/G P3S 601 N /G GLU 136 OE1 no hydrogen 2.587 N/A
/G P3S 601 N /G GLU 136 OE2 no hydrogen 3.306 N/A
/G P3S 601 N /G GLY 249 O no hydrogen 2.509 N/A
/H HIS 253 NE2 /H P3S 601 O no hydrogen 2.707 N/A
/H ARG 299 NH1 /H P3S 601 OT no hydrogen 2.708 N/A
/H ARG 319 NE /H P3S 601 O1A no hydrogen 2.885 N/A
/H ARG 319 NE /H P3S 601 OE no hydrogen 3.235 N/A
/H ARG 319 NH1 /H P3S 601 O1A no hydrogen 2.947 N/A
/H ARG 340 NH1 /H P3S 601 O2A no hydrogen 3.511 N/A
/H ARG 340 NH2 /H P3S 601 OE no hydrogen 3.080 N/A
/H P3S 601 N /H GLU 136 OE1 no hydrogen 2.695 N/A
/H P3S 601 N /H GLU 136 OE2 no hydrogen 3.467 N/A
/H P3S 601 N /H GLY 249 O no hydrogen 2.568 N/A
/I HIS 253 NE2 /I P3S 601 O no hydrogen 3.058 N/A
/I ARG 299 NH1 /I P3S 601 OT no hydrogen 3.074 N/A
/I ARG 319 NE /I P3S 601 O1A no hydrogen 3.358 N/A
/I ARG 319 NE /I P3S 601 O2A no hydrogen 3.474 N/A
/I ARG 319 NE /I P3S 601 OE no hydrogen 3.425 N/A
/I ARG 319 NH1 /I P3S 601 O1A no hydrogen 2.998 N/A
/I ARG 319 NH1 /I P3S 601 O2A no hydrogen 3.373 N/A
/I ARG 340 NH1 /I P3S 601 O2A no hydrogen 3.004 N/A
/I ARG 340 NH2 /I P3S 601 OE no hydrogen 3.127 N/A
/I P3S 601 N /I GLU 136 OE1 no hydrogen 2.663 N/A
/I P3S 601 N /I GLU 136 OE2 no hydrogen 3.274 N/A
/I P3S 601 N /I GLY 249 O no hydrogen 2.753 N/A
/J HIS 253 NE2 /J P3S 601 O no hydrogen 2.812 N/A
/J ARG 299 NH1 /J P3S 601 OT no hydrogen 3.037 N/A
/J ARG 319 NE /J P3S 601 O1A no hydrogen 3.045 N/A
/J ARG 319 NE /J P3S 601 OE no hydrogen 3.164 N/A
/J ARG 319 NH1 /J P3S 601 O1A no hydrogen 2.967 N/A
/J ARG 340 NH1 /J P3S 601 O2A no hydrogen 3.191 N/A
/J ARG 340 NH2 /J P3S 601 OE no hydrogen 3.297 N/A
/J P3S 601 N /J GLU 136 OE1 no hydrogen 2.620 N/A
/J P3S 601 N /J GLU 136 OE2 no hydrogen 3.429 N/A
/J P3S 601 N /J GLY 249 O no hydrogen 2.591 N/A
/J P3S 601 N /J HOH 714 O no hydrogen 2.752 N/A
/J P3S 601 NE /J HOH 718 O no hydrogen 3.291 N/A
/J P3S 601 O1A /J P3S 601 OE no hydrogen 3.303 N/A
/J HOH 718 O /J P3S 601 O3A no hydrogen 2.759 N/A
121 hydrogen bonds found
> cartoon suppressBackboneDisplay false
> contacts :P3S makePseudobonds false reveal true log true
Allowed overlap: -0.4
H-bond overlap reduction: 0.4
Ignore contacts between atoms separated by 4 bonds or less
Detect intra-residue contacts: False
Detect intra-molecule contacts: True
596 contacts
atom1 atom2 overlap distance
/H P3S 601 NE /H HIS 253 CE1 0.395 3.005
/G P3S 601 O3A /G ADP 501 O3B 0.390 2.450
/D P3S 601 PA /D ADP 501 O3B 0.364 3.156
/H P3S 601 C /H ARG 299 NH1 0.337 3.183
/C P3S 601 PA /C ADP 501 O3B 0.323 3.197
/I P3S 601 CE /I GLU 196 OE1 0.309 2.991
/G P3S 601 C /G ARG 299 NH1 0.309 3.211
/I P3S 601 PA /I ADP 501 O3B 0.303 3.217
/H P3S 601 CE /H GLU 196 OE1 0.303 2.997
/C P3S 601 NE /C HIS 253 CE1 0.297 3.103
/F P3S 601 O3A /F GLU 134 OE1 0.295 2.545
/F P3S 601 N /F GLU 136 CD 0.291 3.229
/C P3S 601 N /C GLU 136 CD 0.281 3.239
/D P3S 601 CE /D GLU 196 OE1 0.264 3.036
/C P3S 601 C /C ARG 299 NH1 0.264 3.256
/A P3S 601 CE /A GLU 305 OE2 0.259 3.041
/I P3S 601 O3A /I GLU 134 OE1 0.257 2.583
/H P3S 601 CE /H GLU 196 CD 0.255 3.505
/J P3S 601 NE /J HIS 253 CE1 0.248 3.152
/A P3S 601 PA /A ADP 501 O1B 0.245 3.275
/G P3S 601 N /G GLU 136 CD 0.240 3.280
/J P3S 601 PA /J HIS 253 CE1 0.238 3.622
/C P3S 601 CE /C GLU 196 OE1 0.238 3.062
/I P3S 601 NE /I HIS 253 CE1 0.233 3.167
/A P3S 601 O3A /A ADP 501 O1B 0.229 2.611
/E P3S 601 NE /E HIS 253 CE1 0.226 3.174
/F P3S 601 C /F ARG 299 NH1 0.220 3.300
/I P3S 601 N /I GLU 136 CD 0.218 3.302
/B P3S 601 CE /B GLU 196 OE1 0.217 3.083
/G P3S 601 CE /G GLU 196 CD 0.215 3.545
/E P3S 601 PA /E ADP 501 O3B 0.214 3.306
/F P3S 601 O3A /F MN 403 MN 0.213 1.867
/D P3S 601 C /D ARG 299 NH1 0.205 3.315
/C P3S 601 CE /C GLU 196 CD 0.199 3.561
/E P3S 601 CE /E GLU 196 OE1 0.195 3.105
/I P3S 601 CE /I GLU 196 CD 0.191 3.569
/I P3S 601 O3A /I ADP 501 O3B 0.189 2.651
/B P3S 601 O3A /B MN 403 MN 0.178 1.942
/H P3S 601 O2A /H ADP 501 PB 0.177 3.343
/D P3S 601 CE /D GLU 196 CD 0.174 3.586
/D P3S 601 O3A /D ADP 501 O3B 0.172 2.668
/D P3S 601 N /D GLU 136 CD 0.171 3.349
/J P3S 601 OE /J ARG 319 CD 0.170 3.130
/B P3S 601 PA /B ADP 501 O3B 0.169 3.351
/I P3S 601 C /I ARG 299 NH1 0.168 3.352
/G P3S 601 CE /G GLU 196 OE2 0.167 3.133
/J P3S 601 C /J ARG 299 NH1 0.167 3.353
/E P3S 601 C /E ARG 299 NH1 0.162 3.358
/D P3S 601 NE /D HIS 253 CE1 0.162 3.238
/B P3S 601 N /B GLY 249 O 0.160 2.500
/E P3S 601 CE /E GLU 196 CD 0.160 3.600
/J P3S 601 N /J GLU 136 CD 0.160 3.360
/D P3S 601 O3A /D MN 403 MN 0.154 1.926
/G P3S 601 N /G GLY 249 O 0.151 2.509
/C P3S 601 CB /C HIS 253 CE1 0.150 3.490
/F P3S 601 PA /F HIS 253 CE1 0.147 3.713
/B P3S 601 CE /B GLU 196 CD 0.144 3.616
/A P3S 601 N /A GLU 136 CD 0.138 3.382
/G P3S 601 CE /G GLU 196 OE1 0.137 3.163
/F P3S 601 CB /F GLU 136 OE2 0.136 3.164
/B P3S 601 C /B ARG 299 NH1 0.135 3.385
/H P3S 601 O2A /H ADP 501 O2B 0.133 2.707
/H P3S 601 PA /H ADP 501 O3B 0.132 3.388
/A P3S 601 O2A /A HIS 253 CE1 0.125 3.055
/I P3S 601 OE /I GLU 305 CD 0.123 3.177
/D P3S 601 OE /D ARG 319 CD 0.122 3.178
/E P3S 601 N /E GLU 136 CD 0.118 3.402
/H P3S 601 PA /H HIS 253 CE1 0.116 3.744
/J P3S 601 CE /J GLU 196 CD 0.114 3.646
/A P3S 601 CG /A HOH 733 O 0.113 3.227
/C P3S 601 CE /C TYR 162 CE1 0.111 3.529
/A P3S 601 CE /E ASP 63 OD2 0.106 3.194
/B P3S 601 CG /B GLU 305 OE2 0.101 3.199
/C P3S 601 O /C HIS 253 NE2 0.099 2.561
/F P3S 601 CG /F GLU 305 OE2 0.098 3.202
/E P3S 601 O2A /E ADP 501 PB 0.098 3.422
/C P3S 601 O2A /C ADP 501 PB 0.098 3.422
/H P3S 601 N /H GLU 136 CD 0.097 3.423
/J P3S 601 O2A /J HIS 253 CE1 0.094 3.086
/H P3S 601 N /H GLY 249 O 0.092 2.568
/I P3S 601 PA /I HIS 253 CE1 0.090 3.770
/I P3S 601 O3A /I MN 403 MN 0.088 1.992
/G P3S 601 OE /G ARG 319 CD 0.087 3.213
/A P3S 601 O3A /A MN 403 MN 0.087 1.993
/F P3S 601 N /F GLY 249 O 0.087 2.573
/E P3S 601 PA /E HIS 253 CE1 0.085 3.775
/J P3S 601 CG /J GLU 305 CD 0.085 3.675
/G P3S 601 O3A /G MN 403 MN 0.083 1.997
/H P3S 601 CG /H GLU 305 OE2 0.083 3.217
/A P3S 601 NE /A MN 401 MN 0.081 2.219
/F P3S 601 O2A /F HIS 253 CE1 0.079 3.101
/A P3S 601 C /A ARG 299 NH1 0.078 3.442
/B P3S 601 N /B GLU 136 CD 0.077 3.443
/A P3S 601 O2A /A MN 402 MN 0.077 2.003
/D P3S 601 PA /D HIS 253 CE1 0.076 3.784
/C P3S 601 O2A /C MN 402 MN 0.074 2.006
/J P3S 601 CG /J GLU 305 OE2 0.073 3.227
/G P3S 601 N /G GLU 136 OE1 0.073 2.587
/F P3S 601 CG /F HOH 712 O 0.073 3.267
/H P3S 601 OE /H ARG 319 CD 0.072 3.228
/J P3S 601 N /J GLY 249 O 0.069 2.591
/F P3S 601 CE /F GLU 305 OE2 0.067 3.233
/A P3S 601 CB /A GLU 136 OE2 0.066 3.234
/H P3S 601 CE /H GLU 196 OE2 0.065 3.235
/J P3S 601 O3A /J MN 403 MN 0.064 2.016
/F P3S 601 O3A /F ADP 501 O3B 0.063 2.777
/H P3S 601 O2A /H MN 402 MN 0.062 2.018
/C P3S 601 CE /C GLU 196 OE2 0.060 3.240
/C P3S 601 OE /C ARG 319 CD 0.057 3.243
/E P3S 601 PA /E HOH 629 O 0.057 3.503
/D P3S 601 O3A /D GLU 134 OE1 0.053 2.787
/B P3S 601 OE /B ARG 319 CD 0.052 3.248
/E P3S 601 OT /E ARG 299 CD 0.051 3.249
/F P3S 601 CE /F GLU 196 CD 0.051 3.709
/J P3S 601 CE /J GLU 196 OE1 0.050 3.250
/B P3S 601 NE /B HIS 253 CE1 0.047 3.353
/C P3S 601 CG /C HOH 730 O 0.046 3.294
/C P3S 601 PA /C HIS 253 CE1 0.046 3.814
/B P3S 601 PA /B HIS 253 CE1 0.046 3.814
/A P3S 601 N /A HOH 733 O 0.045 2.655
/J P3S 601 PA /J HOH 718 O 0.043 3.517
/F P3S 601 N /F GLU 136 OE1 0.042 2.618
/A P3S 601 OT /A ARG 299 CD 0.042 3.258
/J P3S 601 N /J GLU 136 OE1 0.040 2.620
/B P3S 601 O /B HIS 253 NE2 0.039 2.621
/J P3S 601 CE /J TYR 162 CE1 0.038 3.602
/G P3S 601 PA /G ADP 501 O3B 0.035 3.485
/J P3S 601 CE /J GLU 196 OE2 0.034 3.266
/H P3S 601 CE /H TYR 162 CE1 0.033 3.607
/D P3S 601 N /D HOH 711 O 0.028 2.672
/F P3S 601 CE /F GLU 196 OE1 0.026 3.274
/G P3S 601 PA /G HIS 253 CE1 0.024 3.836
/F P3S 601 NE /F HIS 253 CE1 0.024 3.376
/A P3S 601 PA /A HIS 253 CE1 0.020 3.840
/H P3S 601 CB /H GLU 136 OE2 0.020 3.280
/I P3S 601 CG /I GLU 196 OE2 0.020 3.280
/G P3S 601 O2A /G HIS 253 CE1 0.020 3.160
/E P3S 601 OE /E ARG 319 CD 0.020 3.280
/J P3S 601 OE /J GLU 305 CD 0.019 3.281
/A P3S 601 PA /A HOH 704 O 0.017 3.543
/E P3S 601 N /E GLU 136 OE1 0.016 2.644
/E P3S 601 O3A /E MN 403 MN 0.016 2.104
/C P3S 601 O3A /C MN 401 MN 0.015 2.065
/F P3S 601 CB /F GLU 136 CD 0.014 3.746
/A P3S 601 O3A /A GLU 134 OE1 0.011 2.829
/A P3S 601 CB /A GLU 136 CD 0.011 3.749
/B P3S 601 O2A /B HIS 253 CE1 0.011 3.169
/H P3S 601 OE /H GLU 305 CD 0.010 3.290
/C P3S 601 O3A /C GLU 203 OE1 0.009 2.831
/B P3S 601 PA /B HOH 744 O 0.008 3.552
/A P3S 601 CB /A HIS 253 CE1 0.007 3.633
/C P3S 601 O2A /C ADP 501 O3B 0.005 2.835
/G P3S 601 NE /G MN 401 MN 0.004 2.296
/B P3S 601 CE /B TYR 162 CE1 -0.002 3.642
/I P3S 601 N /I GLU 136 OE1 -0.003 2.663
/A P3S 601 N /A GLY 249 O -0.004 2.664
/E P3S 601 CE /E GLU 196 OE2 -0.007 3.307
/D P3S 601 NE /D MN 401 MN -0.009 2.309
/J P3S 601 PA /J ADP 501 O1B -0.010 3.530
/C P3S 601 N /C HOH 730 O -0.010 2.710
/C P3S 601 N /C GLU 136 OE1 -0.011 2.671
/D P3S 601 CB /D HIS 253 CE1 -0.012 3.652
/G P3S 601 OE /G GLU 305 CD -0.014 3.314
/B P3S 601 O2A /B MN 402 MN -0.017 2.097
/E P3S 601 O3A /E MN 401 MN -0.021 2.141
/I P3S 601 OT /I ARG 299 CD -0.021 3.321
/A P3S 601 O /A HIS 253 NE2 -0.021 2.681
/F P3S 601 CA /F GLU 136 OE1 -0.023 3.323
/F P3S 601 NE /F MN 401 MN -0.023 2.323
/B P3S 601 N /B GLU 136 OE1 -0.025 2.685
/B P3S 601 C /B HOH 718 O -0.025 3.365
/E P3S 601 O2A /E MN 402 MN -0.027 2.107
/D P3S 601 O2A /D HIS 253 CE1 -0.028 3.208
/B P3S 601 CB /B HIS 253 CE1 -0.031 3.671
/A P3S 601 CE /A GLU 305 CD -0.031 3.791
/A P3S 601 CA /A GLU 136 OE1 -0.034 3.334
/H P3S 601 N /H GLU 136 OE1 -0.035 2.695
/G P3S 601 O1A /G ARG 319 NE -0.035 2.695
/H P3S 601 PA /H ADP 501 PB -0.035 4.235
/A P3S 601 OE /A ARG 319 CD -0.040 3.340
/B P3S 601 CE /B GLU 305 OE2 -0.044 3.344
/H P3S 601 O /H HIS 253 NE2 -0.047 2.707
/A P3S 601 N /A GLU 136 OE1 -0.047 2.707
/B P3S 601 CA /B HOH 718 O -0.048 3.388
/H P3S 601 OT /H ARG 299 NH1 -0.048 2.708
/J P3S 601 N /J HOH 714 O -0.052 2.752
/F P3S 601 OT /F THR 306 CG2 -0.055 3.355
/A P3S 601 CG /A GLU 305 OE2 -0.056 3.356
/F P3S 601 OT /F ARG 299 CD -0.058 3.358
/E P3S 601 PA /E ADP 501 PB -0.058 4.258
/D P3S 601 CE /D GLU 196 OE2 -0.059 3.359
/I P3S 601 CG /I GLU 305 OE2 -0.059 3.359
/B P3S 601 NE /B MN 401 MN -0.060 2.360
/H P3S 601 CE /H GLU 305 OE2 -0.067 3.367
/B P3S 601 OT /B ARG 299 CD -0.069 3.369
/C P3S 601 PA /C ADP 501 PB -0.071 4.271
/G P3S 601 OT /G THR 306 CG2 -0.071 3.371
/F P3S 601 N /F HOH 712 O -0.073 2.773
/J P3S 601 CG /J GLU 305 CB -0.073 3.833
/F P3S 601 CE /J ASP 63 OD2 -0.074 3.374
/E P3S 601 OT /E THR 306 CG2 -0.075 3.375
/D P3S 601 O2A /D MN 402 MN -0.075 2.155
/F P3S 601 OE /F GLU 305 CD -0.075 3.375
/C P3S 601 CB /C HIS 253 NE2 -0.076 3.596
/G P3S 601 NE /G HIS 253 CE1 -0.076 3.476
/I P3S 601 PA /I ARG 319 NH1 -0.076 3.816
/A P3S 601 CG /A GLU 136 OE2 -0.077 3.377
/J P3S 601 O3A /J ADP 501 O1B -0.077 2.917
/H P3S 601 CG /H GLU 136 OE2 -0.077 3.377
/D P3S 601 PA /D MN 401 MN -0.079 2.839
/I P3S 601 CG /I GLU 196 CD -0.081 3.841
/I P3S 601 CE /I TYR 162 CE1 -0.081 3.721
/I P3S 601 PA /I ADP 501 PB -0.081 4.281
/E P3S 601 O3A /E HOH 629 O -0.082 2.602
/G P3S 601 OT /G ARG 299 CD -0.082 3.382
/C P3S 601 CG /C GLU 136 OE2 -0.083 3.383
/B P3S 601 PA /B ADP 501 PB -0.084 4.284
/E P3S 601 N /E GLY 249 O -0.085 2.745
/H P3S 601 O3A /H MN 403 MN -0.085 2.165
/J P3S 601 O3A /J GLU 134 OE1 -0.088 2.928
/H P3S 601 CB /H GLU 136 CD -0.089 3.849
/F P3S 601 CE /F GLU 196 OE2 -0.090 3.390
/E P3S 601 CE /E GLU 305 OE2 -0.090 3.390
/B P3S 601 CB /B GLU 136 CD -0.091 3.851
/I P3S 601 N /I GLY 249 O -0.093 2.753
/J P3S 601 CE /I ASP 63 OD2 -0.093 3.393
/H P3S 601 OT /H ARG 299 CD -0.093 3.393
/G P3S 601 CE /G GLU 305 OE2 -0.094 3.394
/F P3S 601 OE /F ARG 319 CD -0.095 3.395
/D P3S 601 PA /D ADP 501 PB -0.095 4.295
/A P3S 601 CE /A GLU 196 CD -0.096 3.856
/I P3S 601 CG /I GLU 136 OE2 -0.097 3.397
/A P3S 601 PA /A ADP 501 PB -0.097 4.297
/B P3S 601 CA /B GLU 136 OE1 -0.098 3.398
/I P3S 601 CE /I GLU 196 OE2 -0.098 3.398
/B P3S 601 CE /B GLU 196 OE2 -0.100 3.400
/E P3S 601 O /E HIS 253 NE2 -0.101 2.761
/C P3S 601 CB /C ARG 340 NH2 -0.107 3.627
/F P3S 601 CG /F GLU 305 CD -0.107 3.867
/G P3S 601 PA /G ARG 319 NE -0.108 3.848
/C P3S 601 PA /C HOH 740 O -0.109 3.669
/D P3S 601 N /D GLU 136 OE1 -0.109 2.769
/E P3S 601 CB /E HIS 253 CE1 -0.110 3.750
/C P3S 601 O3A /C MN 403 MN -0.111 2.191
/G P3S 601 CG /G GLU 305 CD -0.112 3.872
/I P3S 601 O2A /I ADP 501 PB -0.113 3.633
/H P3S 601 O3A /H GLU 203 OE1 -0.115 2.955
/A P3S 601 CB /A GLU 136 OE1 -0.116 3.416
/G P3S 601 O1A /G ARG 319 CZ -0.116 3.146
/G P3S 601 CG /G GLU 305 OE2 -0.117 3.417
/H P3S 601 CB /H HIS 253 CE1 -0.117 3.757
/D P3S 601 OE /D GLU 305 CD -0.120 3.420
/J P3S 601 OT /J THR 306 CG2 -0.120 3.420
/C P3S 601 OT /C ARG 299 CD -0.122 3.422
/B P3S 601 OT /B HOH 718 O -0.123 2.603
/E P3S 601 O3A /E GLU 203 CD -0.123 3.463
/E P3S 601 CA /E GLU 136 OE1 -0.123 3.423
/G P3S 601 CE /G TYR 162 CE1 -0.124 3.764
/D P3S 601 O3A /D MN 401 MN -0.125 2.205
/I P3S 601 PA /I ARG 319 NE -0.125 3.865
/G P3S 601 O /G HIS 253 NE2 -0.125 2.785
/G P3S 601 O2A /G MN 402 MN -0.126 2.206
/B P3S 601 O1A /B ARG 319 NH1 -0.127 2.787
/D P3S 601 O /D HIS 253 NE2 -0.127 2.787
/H P3S 601 O2A /H HIS 253 CE1 -0.127 3.307
/I P3S 601 CE /I GLU 305 OE2 -0.128 3.428
/C P3S 601 O3A /C GLU 134 OE1 -0.128 2.968
/E P3S 601 O2A /E HIS 253 CE1 -0.128 3.308
/D P3S 601 OT /D ARG 299 CD -0.129 3.429
/G P3S 601 O3A /G GLU 134 OE1 -0.131 2.971
/B P3S 601 PA /B MN 401 MN -0.132 2.892
/F P3S 601 CE /F TYR 162 CE1 -0.132 3.772
/C P3S 601 CB /C GLU 136 OE2 -0.134 3.434
/D P3S 601 O2A /D ADP 501 O3B -0.135 2.975
/D P3S 601 O3A /D GLU 203 OE1 -0.135 2.975
/J P3S 601 PA /J ADP 501 PB -0.136 4.336
/F P3S 601 O2A /F ARG 340 NH1 -0.137 2.797
/J P3S 601 CE /J GLU 305 OE2 -0.137 3.437
/B P3S 601 O3A /B MN 401 MN -0.138 2.258
/G P3S 601 CG /G ASN 248 ND2 -0.142 3.662
/D P3S 601 CG /D HOH 711 O -0.144 3.484
/H P3S 601 O3A /H MN 401 MN -0.144 2.224
/B P3S 601 O3A /B GLU 203 CD -0.145 3.485
/F P3S 601 O /F HIS 253 NE2 -0.145 2.805
/J P3S 601 PA /J ARG 319 NE -0.145 3.885
/G P3S 601 O /G ARG 299 NH1 -0.147 2.807
/A P3S 601 CE /A GLU 196 OE2 -0.147 3.447
/G P3S 601 CE /G VAL 197 CG2 -0.147 3.907
/D P3S 601 O2A /D ADP 501 PB -0.147 3.667
/B P3S 601 OT /B THR 306 CG2 -0.148 3.448
/I P3S 601 OE /I ARG 319 CD -0.148 3.448
/E P3S 601 CE /E TYR 162 CE1 -0.148 3.788
/B P3S 601 O2A /B ADP 501 PB -0.151 3.671
/J P3S 601 O /J HIS 253 NE2 -0.152 2.812
/C P3S 601 O2A /C ADP 501 O2B -0.155 2.995
/E P3S 601 CG /E GLU 305 OE2 -0.156 3.456
/D P3S 601 CB /D HIS 253 NE2 -0.156 3.676
/B P3S 601 CB /B GLU 136 OE2 -0.157 3.457
/G P3S 601 OE /G GLU 305 OE1 -0.158 2.998
/A P3S 601 CE /A GLU 196 OE1 -0.158 3.458
/H P3S 601 CB /H HIS 253 NE2 -0.158 3.678
/D P3S 601 N /D GLY 249 O -0.161 2.821
/F P3S 601 CB /F GLU 136 OE1 -0.165 3.465
/H P3S 601 PA /H ARG 319 NE -0.168 3.908
/I P3S 601 O3A /I MN 401 MN -0.168 2.248
/G P3S 601 O1A /G ARG 319 NH1 -0.169 2.829
/F P3S 601 O3A /F ADP 501 PB -0.169 3.689
/B P3S 601 O2A /B ADP 501 O2B -0.169 3.009
/E P3S 601 O2A /E ADP 501 O3B -0.171 3.011
/E P3S 601 O2A /E ADP 501 O2B -0.172 3.012
/H P3S 601 CA /H GLU 136 OE1 -0.173 3.473
/J P3S 601 O3A /J MN 401 MN -0.173 2.253
/F P3S 601 PA /F MN 401 MN -0.174 2.934
/J P3S 601 CE /J VAL 197 CG2 -0.174 3.934
/A P3S 601 PA /A MN 401 MN -0.176 2.936
/D P3S 601 CE /D TYR 162 CE1 -0.178 3.818
/C P3S 601 OE /C GLU 305 CD -0.178 3.478
/H P3S 601 PA /H ARG 319 NH1 -0.178 3.918
/C P3S 601 PA /C ARG 319 NH1 -0.180 3.920
/D P3S 601 OT /D THR 306 CG2 -0.181 3.481
/D P3S 601 CG /D GLU 136 OE2 -0.182 3.482
/B P3S 601 CE /A ASP 63 OD2 -0.183 3.483
/I P3S 601 NE /I MN 401 MN -0.183 2.483
/C P3S 601 PA /C ARG 319 NE -0.184 3.924
/H P3S 601 O2A /H ADP 501 O3B -0.185 3.025
/E P3S 601 PA /E MN 401 MN -0.185 2.945
/C P3S 601 C /C HIS 253 NE2 -0.186 3.706
/H P3S 601 PA /H MN 401 MN -0.186 2.946
/I P3S 601 CA /I GLU 136 OE1 -0.187 3.487
/E P3S 601 CB /E HIS 253 NE2 -0.187 3.707
/G P3S 601 PA /G MN 401 MN -0.187 2.947
/B P3S 601 CE /B VAL 197 CG2 -0.188 3.948
/H P3S 601 O3A /H ADP 501 O3B -0.188 3.028
/D P3S 601 O3A /D GLU 203 CD -0.190 3.490
/B P3S 601 CB /B GLU 136 OE1 -0.191 3.491
/G P3S 601 CE /F ASP 63 OD2 -0.192 3.492
/J P3S 601 CA /J GLU 136 OE1 -0.193 3.493
/J P3S 601 NE /J MN 401 MN -0.194 2.494
/D P3S 601 O /D ARG 299 NH1 -0.194 2.854
/F P3S 601 CE /F GLU 305 CD -0.195 3.955
/G P3S 601 CA /G GLU 136 OE1 -0.195 3.495
/J P3S 601 PA /J HIS 253 ND1 -0.196 3.936
/G P3S 601 PA /G ADP 501 PB -0.196 4.396
/B P3S 601 OE /B GLU 305 CD -0.196 3.496
/F P3S 601 CA /F HOH 712 O -0.197 3.537
/A P3S 601 PA /A GLU 134 OE1 -0.198 3.718
/H P3S 601 CB /H ARG 340 NH2 -0.198 3.718
/G P3S 601 CA /G GLY 249 O -0.199 3.499
/J P3S 601 OT /J ARG 299 CD -0.200 3.500
/C P3S 601 CA /C GLU 136 OE1 -0.201 3.501
/B P3S 601 PA /B ARG 319 NH1 -0.201 3.941
/J P3S 601 CG /J HOH 714 O -0.202 3.542
/C P3S 601 N /C GLY 249 O -0.202 2.862
/C P3S 601 C /C HOH 704 O -0.203 3.543
/G P3S 601 CB /G HIS 253 CE1 -0.203 3.843
/G P3S 601 O3A /G ADP 501 PB -0.203 3.723
/E P3S 601 CE /D ASP 63 OD2 -0.204 3.504
/J P3S 601 PA /J MN 401 MN -0.206 2.966
/A P3S 601 CE /A TYR 162 CE1 -0.208 3.848
/G P3S 601 CB /G GLU 136 OE2 -0.208 3.508
/C P3S 601 CA /C HOH 704 O -0.208 3.548
/H P3S 601 PA /H HOH 609 O -0.209 3.769
/E P3S 601 NE /E MN 401 MN -0.209 2.509
/I P3S 601 PA /I MN 401 MN -0.210 2.970
/E P3S 601 PA /E ARG 319 NE -0.211 3.951
/G P3S 601 CB /G ARG 340 NH2 -0.211 3.731
/I P3S 601 CA /I ASN 248 ND2 -0.212 3.732
/E P3S 601 O /E ARG 299 NH1 -0.212 2.872
/J P3S 601 CB /J HIS 253 CE1 -0.212 3.852
/E P3S 601 OE /E GLU 305 CD -0.213 3.513
/F P3S 601 OT /F ARG 299 NH1 -0.213 2.873
/C P3S 601 O2A /C HIS 253 CE1 -0.213 3.393
/A P3S 601 CE /A VAL 197 CG2 -0.215 3.975
/I P3S 601 CG /I ASN 248 ND2 -0.215 3.735
/G P3S 601 CE /G GLU 305 CD -0.216 3.976
/F P3S 601 CG /F GLU 136 OE2 -0.218 3.518
/F P3S 601 C /F GLU 136 OE1 -0.218 3.518
/F P3S 601 CA /F GLU 136 CD -0.219 3.979
/I P3S 601 PA /I GLU 134 OE1 -0.219 3.739
/A P3S 601 OT /A THR 306 CG2 -0.220 3.520
/F P3S 601 CG /F ASN 248 ND2 -0.220 3.740
/I P3S 601 O /I ARG 299 NH1 -0.221 2.881
/D P3S 601 PA /D ARG 319 NE -0.222 3.962
/A P3S 601 C /A GLU 136 OE1 -0.222 3.522
/D P3S 601 PA /D GLU 134 OE1 -0.223 3.743
/H P3S 601 O1A /H ARG 319 NE -0.225 2.885
/C P3S 601 O /C ARG 299 NH1 -0.226 2.886
/J P3S 601 O2A /J ADP 501 O3B -0.226 3.066
/C P3S 601 CB /C GLU 136 CD -0.227 3.987
/F P3S 601 PA /F ARG 319 NE -0.228 3.968
/D P3S 601 CG /D GLU 305 OE2 -0.228 3.528
/C P3S 601 PA /C GLU 134 OE1 -0.230 3.750
/H P3S 601 CG /H GLU 305 CD -0.230 3.990
/C P3S 601 OT /C THR 306 CG2 -0.230 3.530
/I P3S 601 O2A /I ADP 501 O3B -0.230 3.070
/J P3S 601 CB /J GLU 136 OE2 -0.231 3.531
/C P3S 601 O3A /C GLU 203 CD -0.233 3.533
/E P3S 601 CB /E GLU 136 CD -0.235 3.995
/E P3S 601 C /E GLU 136 OE1 -0.236 3.536
/E P3S 601 C /E THR 306 CG2 -0.236 3.996
/J P3S 601 OE /J GLU 305 OE1 -0.237 3.077
/F P3S 601 PA /F ARG 319 NH1 -0.237 3.977
/F P3S 601 PA /F ADP 501 PB -0.238 4.438
/D P3S 601 CE /D GLU 305 OE2 -0.240 3.540
/I P3S 601 C /I GLU 136 OE1 -0.240 3.540
/A P3S 601 PA /A ARG 319 NE -0.241 3.981
/C P3S 601 CE /B ASP 63 OD2 -0.241 3.541
/F P3S 601 CG /F GLU 196 OE2 -0.245 3.545
/J P3S 601 O2A /J ADP 501 PB -0.245 3.765
/B P3S 601 PA /B GLU 134 OE1 -0.245 3.765
/G P3S 601 OT /G ARG 299 NH1 -0.247 2.907
/A P3S 601 CB /A HIS 253 NE2 -0.248 3.768
/H P3S 601 CG /H GLU 196 OE2 -0.249 3.549
/G P3S 601 PA /G ARG 319 NH1 -0.249 3.989
/E P3S 601 CB /E ARG 340 NH2 -0.251 3.771
/C P3S 601 O3A /C HOH 740 O -0.251 2.731
/C P3S 601 O3A /C ADP 501 O3B -0.253 3.093
/B P3S 601 O1A /B ARG 319 CZ -0.253 3.283
/B P3S 601 CB /B HIS 253 NE2 -0.253 3.773
/J P3S 601 O2A /J MN 402 MN -0.255 2.335
/E P3S 601 CG /E GLU 136 OE2 -0.255 3.555
/J P3S 601 SD /J GLU 305 CD -0.258 3.908
/C P3S 601 CG /C GLU 196 OE2 -0.259 3.559
/F P3S 601 CB /F HIS 253 CE1 -0.259 3.899
/B P3S 601 CG /B GLU 305 CD -0.262 4.022
/D P3S 601 PA /D HIS 253 ND1 -0.263 4.003
/H P3S 601 NE /H MN 401 MN -0.263 2.563
/D P3S 601 CG /D GLU 196 OE2 -0.264 3.564
/J P3S 601 CB /J ARG 340 NH2 -0.264 3.784
/A P3S 601 O3A /A GLU 203 OE1 -0.265 3.105
/B P3S 601 PA /B ARG 319 NE -0.265 4.005
/I P3S 601 CB /I GLU 136 OE2 -0.266 3.566
/H P3S 601 PA /H GLU 134 OE1 -0.266 3.786
/G P3S 601 C /G THR 306 CG2 -0.266 4.026
/J P3S 601 CE /J GLU 305 CD -0.267 4.027
/B P3S 601 O1A /B ARG 319 NE -0.267 2.927
/J P3S 601 O1A /J ARG 319 NH1 -0.267 2.967
/I P3S 601 OT /I GLY 249 O -0.270 3.110
/C P3S 601 OT /C ARG 299 NH1 -0.274 2.934
/H P3S 601 O1A /H ARG 319 CZ -0.276 3.306
/B P3S 601 O3A /B ADP 501 O3B -0.276 2.756
/C P3S 601 PA /C HIS 253 ND1 -0.279 4.019
/J P3S 601 O3A /J HOH 718 O -0.279 2.759
/H P3S 601 C /H GLU 136 OE1 -0.281 3.581
/E P3S 601 CE /E VAL 197 CG2 -0.282 4.042
/D P3S 601 CB /D GLU 136 OE2 -0.282 3.582
/I P3S 601 CB /I ARG 340 NH2 -0.283 3.803
/C P3S 601 O /C HIS 253 CE1 -0.284 3.464
/E P3S 601 CB /E GLU 136 OE2 -0.285 3.585
/E P3S 601 PA /E ARG 319 NH1 -0.285 4.025
/H P3S 601 O1A /H ARG 319 NH1 -0.287 2.947
/I P3S 601 PA /I HIS 253 ND1 -0.290 4.030
/C P3S 601 PA /C MN 401 MN -0.291 3.051
/F P3S 601 SD /F GLU 305 CD -0.293 3.943
/H P3S 601 O3A /H HOH 608 O -0.293 2.773
/C P3S 601 CG /C GLU 196 CD -0.293 4.053
/G P3S 601 CB /G GLU 136 CD -0.295 4.055
/A P3S 601 CA /A GLU 136 CD -0.295 4.055
/F P3S 601 CG /F GLU 196 CD -0.296 4.056
/F P3S 601 PA /F HIS 253 ND1 -0.297 4.036
/B P3S 601 C /B HIS 253 NE2 -0.297 3.817
/B P3S 601 C /B GLU 136 OE1 -0.298 3.598
/C P3S 601 OT /C HOH 704 O -0.298 2.778
/J P3S 601 PA /J ARG 319 NH1 -0.298 4.038
/E P3S 601 CB /E GLU 136 OE1 -0.300 3.600
/F P3S 601 N /F GLY 249 C -0.301 3.551
/F P3S 601 PA /F ADP 501 O3B -0.303 3.823
/A P3S 601 OE /A ARG 340 NH2 -0.305 2.965
/H P3S 601 O3A /H GLU 203 CD -0.307 3.607
/A P3S 601 O1A /A ARG 319 NH1 -0.307 2.967
/A P3S 601 O2A /A ARG 340 NH1 -0.309 2.969
/B P3S 601 O /B HIS 253 CE1 -0.309 3.489
/D P3S 601 CA /D HOH 711 O -0.310 3.650
/I P3S 601 OE /I GLU 305 CB -0.310 3.610
/I P3S 601 OE /I GLU 305 OE1 -0.310 3.150
/J P3S 601 C /J GLU 136 OE1 -0.311 3.611
/H P3S 601 PA /H HIS 253 ND1 -0.311 4.051
/A P3S 601 NE /A HIS 253 CE1 -0.312 3.712
/H P3S 601 O /H ARG 299 NH1 -0.312 2.972
/A P3S 601 CG /A GLU 196 OE2 -0.312 3.612
/F P3S 601 SD /F GLU 305 OE2 -0.313 3.503
/J P3S 601 CB /J GLU 136 CD -0.313 4.073
/J P3S 601 O /J ARG 299 NH1 -0.313 2.973
/A P3S 601 C /A THR 306 CG2 -0.314 4.074
/I P3S 601 C /I THR 306 CG2 -0.314 4.074
/H P3S 601 SD /H GLU 305 OE2 -0.315 3.505
/G P3S 601 PA /G GLU 134 OE1 -0.315 3.835
/A P3S 601 PA /A ARG 319 NH1 -0.316 4.056
/B P3S 601 CG /B ASN 248 ND2 -0.316 3.836
/A P3S 601 CG /A GLU 196 CD -0.317 4.077
/G P3S 601 SD /G GLU 305 CD -0.318 3.968
/E P3S 601 O1A /E ARG 319 NE -0.319 2.979
/J P3S 601 CB /J HIS 253 NE2 -0.320 3.840
/A P3S 601 O3A /A MN 401 MN -0.320 2.400
/F P3S 601 CE /F VAL 197 CG2 -0.322 4.082
/H P3S 601 CG /H ASN 248 ND2 -0.322 3.842
/A P3S 601 O1A /A ARG 319 NE -0.322 2.982
/I P3S 601 SD /I GLU 305 CD -0.323 3.973
/J P3S 601 CA /J HOH 714 O -0.323 3.663
/I P3S 601 O2A /I HIS 253 CE1 -0.323 3.503
/F P3S 601 PA /F GLU 134 OE1 -0.324 3.844
/B P3S 601 PA /B HIS 253 ND1 -0.324 4.064
/A P3S 601 O3A /A GLU 203 CD -0.325 3.625
/C P3S 601 CE /C TYR 162 CD1 -0.325 3.965
/H P3S 601 C /H HIS 253 NE2 -0.327 3.847
/G P3S 601 CG /G GLU 305 CB -0.328 4.088
/I P3S 601 CG /I GLU 305 CD -0.330 4.090
/H P3S 601 CE /G ASP 63 OD2 -0.330 3.630
/G P3S 601 CB /G HIS 253 NE2 -0.330 3.850
/H P3S 601 CB /H GLU 136 OE1 -0.332 3.632
/A P3S 601 C /A HIS 253 NE2 -0.333 3.853
/I P3S 601 CB /I HIS 253 CE1 -0.334 3.974
/B P3S 601 CG /B GLU 305 CB -0.335 4.095
/A P3S 601 NE /A GLU 196 OE1 -0.337 2.997
/A P3S 601 CB /A ARG 340 NH2 -0.338 3.858
/I P3S 601 O1A /I ARG 319 NH1 -0.338 2.998
/A P3S 601 O /A ARG 299 NH1 -0.340 3.000
/H P3S 601 CG /H GLU 196 CD -0.340 4.100
/D P3S 601 CB /D ARG 340 NH2 -0.342 3.862
/B P3S 601 CG /B GLU 196 CD -0.342 4.102
/I P3S 601 O2A /I MN 402 MN -0.342 2.422
/I P3S 601 CE /H ASP 63 OD2 -0.343 3.643
/A P3S 601 PA /A HIS 253 ND1 -0.343 4.083
/F P3S 601 O /F ARG 299 NH1 -0.343 3.003
/J P3S 601 CE /J TYR 162 CD1 -0.344 3.984
/I P3S 601 SD /I GLU 305 OE2 -0.344 3.534
/I P3S 601 O2A /I ARG 340 NH1 -0.344 3.004
/J P3S 601 O1A /J ARG 319 CZ -0.344 3.414
/J P3S 601 O1A /J ARG 319 NE -0.345 3.045
/E P3S 601 PA /E HIS 253 ND1 -0.346 4.086
/G P3S 601 CG /G GLU 196 OE2 -0.347 3.647
/B P3S 601 O /B ARG 299 NH1 -0.347 3.007
/I P3S 601 CE /I GLU 305 CD -0.348 4.108
/J P3S 601 CA /J GLY 249 O -0.348 3.648
/I P3S 601 PA /I ARG 340 NH1 -0.350 4.090
/B P3S 601 SD /B GLU 305 OE2 -0.351 3.541
/I P3S 601 O3A /I GLU 203 CD -0.352 3.652
/D P3S 601 CG /D GLU 196 CD -0.354 4.114
/A P3S 601 SD /A GLU 305 OE2 -0.354 3.544
/E P3S 601 O1A /E ARG 319 NH1 -0.354 3.014
/C P3S 601 CA /C GLU 136 CD -0.354 4.114
/E P3S 601 PA /E GLU 134 OE1 -0.355 3.875
/H P3S 601 O2A /H GLU 134 OE1 -0.355 3.195
/C P3S 601 O1A /C ARG 319 NH1 -0.355 3.015
/D P3S 601 O1A /D ARG 319 NE -0.355 3.015
/C P3S 601 C /C GLU 136 OE1 -0.356 3.656
/A P3S 601 CA /A HOH 733 O -0.357 3.697
/F P3S 601 C /F THR 306 CG2 -0.357 4.117
/D P3S 601 CB /D GLU 136 CD -0.358 4.118
/D P3S 601 CA /D GLU 136 OE1 -0.358 3.658
/A P3S 601 CG /A GLU 305 CD -0.358 4.118
/A P3S 601 O /A HIS 253 CE1 -0.361 3.541
/H P3S 601 CA /H GLU 136 CD -0.362 4.122
/F P3S 601 O2A /F MN 402 MN -0.362 2.442
/A P3S 601 O1A /A ARG 319 CZ -0.363 3.393
/B P3S 601 CA /B GLY 249 O -0.363 3.663
/B P3S 601 SD /B GLU 196 OE1 -0.364 3.554
/E P3S 601 CG /E GLU 305 CD -0.367 4.127
/I P3S 601 CA /I GLY 249 O -0.367 3.667
/H P3S 601 CE /H GLU 305 CD -0.368 4.128
/J P3S 601 O3A /J GLU 203 CD -0.368 3.668
/I P3S 601 O3A /I GLU 203 OE1 -0.368 3.208
/C P3S 601 O2A /C GLU 134 OE1 -0.370 3.210
/I P3S 601 CB /I GLU 136 CD -0.372 4.132
/J P3S 601 CG /J ASN 248 ND2 -0.372 3.892
/F P3S 601 OE /F ARG 340 NH2 -0.374 3.034
/A P3S 601 O3A /A ADP 501 PB -0.375 3.895
/D P3S 601 C /D THR 306 CG2 -0.375 4.135
/J P3S 601 OT /J ARG 299 NH1 -0.377 3.037
/B P3S 601 OT /B ARG 299 NH1 -0.377 3.037
/E P3S 601 CE /E GLU 305 CD -0.378 4.138
/D P3S 601 CE /C ASP 63 OD2 -0.379 3.679
/I P3S 601 CB /I GLU 305 CB -0.381 4.141
/E P3S 601 O3A /E GLU 203 OE1 -0.381 2.861
/C P3S 601 CE /C GLU 305 OE2 -0.381 3.681
/F P3S 601 CB /F HIS 253 NE2 -0.383 3.903
/E P3S 601 O1A /E ARG 319 CZ -0.385 3.415
/J P3S 601 CG /J GLU 305 CG -0.386 4.146
/I P3S 601 CA /I GLU 136 CD -0.386 4.146
/B P3S 601 CE /B TYR 162 CD1 -0.386 4.026
/A P3S 601 CE /E ASP 63 CG -0.389 4.149
/G P3S 601 O2A /G ADP 501 PB -0.389 3.909
/C P3S 601 O /C HIS 253 CD2 -0.389 3.569
/H P3S 601 SD /H GLU 305 CD -0.390 4.040
/D P3S 601 O1A /D ARG 319 NH1 -0.392 3.052
/B P3S 601 CG /B GLU 136 OE2 -0.393 3.693
/J P3S 601 O3A /J GLU 203 OE1 -0.393 3.233
/C P3S 601 CA /C HOH 730 O -0.394 3.734
/G P3S 601 CA /G GLU 136 CD -0.396 4.156
/A P3S 601 NE /A GLU 196 CD -0.397 3.917
/I P3S 601 O /I HIS 253 NE2 -0.398 3.058
/B P3S 601 O3A /B HOH 744 O -0.398 2.918
/E P3S 601 CG /E GLU 305 CB -0.399 4.159
/B P3S 601 OE /B ARG 319 NE -0.399 3.059
/B P3S 601 CA /B GLU 136 CD -0.399 4.159
/C P3S 601 OE /C ARG 340 NH2 -0.400 3.060
596 contacts
> close
> open 2qc8
2qc8 title:
Crystal structure of human glutamine synthetase in complex with ADP and
methionine sulfoximine phosphate [more info...]
Chain information for 2qc8 #1
---
Chain | Description | UniProt
A B C D E F G H I J | Glutamine synthetase | GLNA_HUMAN 5-365
Non-standard residues in 2qc8 #1
---
ADP — adenosine-5'-diphosphate
CL — chloride ion
MN — manganese (II) ion
P3S — L-methionine-S-sulfoximine phosphate
> hide solvent
> select :P3S
150 atoms, 140 bonds, 10 residues, 1 model selected
> view sel
> hide ~sel
> hbonds :P3S reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 2qc8
121 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
/A HIS 253 NE2 /A P3S 601 O no hydrogen 2.681 N/A
/A ARG 299 NH1 /A P3S 601 OT no hydrogen 3.167 N/A
/A ARG 319 NE /A P3S 601 O1A no hydrogen 2.982 N/A
/A ARG 319 NE /A P3S 601 OE no hydrogen 3.242 N/A
/A ARG 319 NH1 /A P3S 601 O1A no hydrogen 2.967 N/A
/A ARG 340 NH1 /A P3S 601 O2A no hydrogen 2.969 N/A
/A ARG 340 NH2 /A P3S 601 OE no hydrogen 2.965 N/A
/A P3S 601 N /A GLU 136 OE1 no hydrogen 2.707 N/A
/A P3S 601 N /A GLU 136 OE2 no hydrogen 3.395 N/A
/A P3S 601 N /A GLY 249 O no hydrogen 2.664 N/A
/A P3S 601 N /A HOH 733 O no hydrogen 2.655 N/A
/B HIS 253 NE2 /B P3S 601 O no hydrogen 2.621 N/A
/B ARG 299 NH1 /B P3S 601 OT no hydrogen 3.037 N/A
/B ARG 319 NE /B P3S 601 O1A no hydrogen 2.927 N/A
/B ARG 319 NE /B P3S 601 OE no hydrogen 3.059 N/A
/B ARG 319 NH1 /B P3S 601 O1A no hydrogen 2.787 N/A
/B ARG 340 NH1 /B P3S 601 O2A no hydrogen 3.220 N/A
/B ARG 340 NH2 /B P3S 601 OE no hydrogen 3.192 N/A
/B P3S 601 N /B GLU 136 OE1 no hydrogen 2.685 N/A
/B P3S 601 N /B GLU 136 OE2 no hydrogen 3.568 N/A
/B P3S 601 N /B GLY 249 O no hydrogen 2.500 N/A
/B HOH 718 O /B P3S 601 OT no hydrogen 2.603 N/A
/B HOH 741 O /B P3S 601 O3A no hydrogen 3.311 N/A
/B HOH 744 O /B P3S 601 O3A no hydrogen 2.918 N/A
/C HIS 253 NE2 /C P3S 601 O no hydrogen 2.561 N/A
/C ARG 299 NH1 /C P3S 601 OT no hydrogen 2.934 N/A
/C ARG 319 NE /C P3S 601 O1A no hydrogen 3.258 N/A
/C ARG 319 NE /C P3S 601 OE no hydrogen 3.250 N/A
/C ARG 319 NH1 /C P3S 601 O1A no hydrogen 3.015 N/A
/C ARG 340 NH1 /C P3S 601 O2A no hydrogen 3.313 N/A
/C ARG 340 NH2 /C P3S 601 OE no hydrogen 3.060 N/A
/C P3S 601 N /C GLU 136 OE1 no hydrogen 2.671 N/A
/C P3S 601 N /C GLU 136 OE2 no hydrogen 3.184 N/A
/C P3S 601 N /C GLY 249 O no hydrogen 2.862 N/A
/C P3S 601 N /C HOH 730 O no hydrogen 2.710 N/A
/C HOH 704 O /C P3S 601 OT no hydrogen 2.778 N/A
/C HOH 740 O /C P3S 601 O3A no hydrogen 2.731 N/A
/D HIS 253 NE2 /D P3S 601 O no hydrogen 2.787 N/A
/D ARG 299 NH1 /D P3S 601 OT no hydrogen 3.081 N/A
/D ARG 319 NE /D P3S 601 O1A no hydrogen 3.015 N/A
/D ARG 319 NE /D P3S 601 OE no hydrogen 3.228 N/A
/D ARG 319 NH1 /D P3S 601 O1A no hydrogen 3.052 N/A
/D ARG 340 NH1 /D P3S 601 O2A no hydrogen 3.204 N/A
/D ARG 340 NH2 /D P3S 601 OE no hydrogen 3.172 N/A
/D P3S 601 N /D GLU 136 OE1 no hydrogen 2.769 N/A
/D P3S 601 N /D GLU 136 OE2 no hydrogen 3.291 N/A
/D P3S 601 N /D GLY 249 O no hydrogen 2.821 N/A
/D P3S 601 N /D HOH 711 O no hydrogen 2.672 N/A
/E HIS 253 NE2 /E P3S 601 O no hydrogen 2.761 N/A
/E ARG 299 NH1 /E P3S 601 OT no hydrogen 3.174 N/A
/E ARG 319 NE /E P3S 601 O1A no hydrogen 2.979 N/A
/E ARG 319 NE /E P3S 601 OE no hydrogen 3.237 N/A
/E ARG 319 NH1 /E P3S 601 O1A no hydrogen 3.014 N/A
/E ARG 340 NH1 /E P3S 601 O2A no hydrogen 3.258 N/A
/E ARG 340 NH2 /E P3S 601 OE no hydrogen 3.174 N/A
/E P3S 601 N /E GLU 136 OE1 no hydrogen 2.644 N/A
/E P3S 601 N /E GLU 136 OE2 no hydrogen 3.463 N/A
/E P3S 601 N /E GLY 249 O no hydrogen 2.745 N/A
/E P3S 601 NE /E HOH 629 O no hydrogen 3.237 N/A
/E P3S 601 O3A /E GLU 134 OE1 no hydrogen 2.958 N/A
/E P3S 601 O3A /E ADP 501 O3B no hydrogen 2.929 N/A
/E HOH 629 O /E P3S 601 O3A no hydrogen 2.602 N/A
/F HIS 253 NE2 /F P3S 601 O no hydrogen 2.805 N/A
/F ARG 299 NH1 /F P3S 601 OT no hydrogen 2.873 N/A
/F ARG 319 NE /F P3S 601 O1A no hydrogen 3.349 N/A
/F ARG 319 NE /F P3S 601 O2A no hydrogen 3.486 N/A
/F ARG 319 NE /F P3S 601 OE no hydrogen 3.321 N/A
/F ARG 319 NH1 /F P3S 601 O1A no hydrogen 3.177 N/A
/F ARG 340 NH1 /F P3S 601 O2A no hydrogen 2.797 N/A
/F ARG 340 NH2 /F P3S 601 OE no hydrogen 3.034 N/A
/F P3S 601 N /F GLU 136 OE1 no hydrogen 2.618 N/A
/F P3S 601 N /F GLU 136 OE2 no hydrogen 3.283 N/A
/F P3S 601 N /F GLY 249 O no hydrogen 2.573 N/A
/F P3S 601 N /F HOH 712 O no hydrogen 2.773 N/A
/F P3S 601 NE /F GLU 136 OE2 no hydrogen 3.229 N/A
/G HIS 253 NE2 /G P3S 601 O no hydrogen 2.785 N/A
/G ARG 299 NH1 /G P3S 601 OT no hydrogen 2.907 N/A
/G ARG 319 NE /G P3S 601 O1A no hydrogen 2.695 N/A
/G ARG 319 NE /G P3S 601 OE no hydrogen 3.178 N/A
/G ARG 319 NH1 /G P3S 601 O1A no hydrogen 2.829 N/A
/G ARG 340 NH1 /G P3S 601 O2A no hydrogen 3.137 N/A
/G ARG 340 NH2 /G P3S 601 OE no hydrogen 3.276 N/A
/G P3S 601 N /G GLU 136 OE1 no hydrogen 2.587 N/A
/G P3S 601 N /G GLU 136 OE2 no hydrogen 3.306 N/A
/G P3S 601 N /G GLY 249 O no hydrogen 2.509 N/A
/H HIS 253 NE2 /H P3S 601 O no hydrogen 2.707 N/A
/H ARG 299 NH1 /H P3S 601 OT no hydrogen 2.708 N/A
/H ARG 319 NE /H P3S 601 O1A no hydrogen 2.885 N/A
/H ARG 319 NE /H P3S 601 OE no hydrogen 3.235 N/A
/H ARG 319 NH1 /H P3S 601 O1A no hydrogen 2.947 N/A
/H ARG 340 NH1 /H P3S 601 O2A no hydrogen 3.511 N/A
/H ARG 340 NH2 /H P3S 601 OE no hydrogen 3.080 N/A
/H P3S 601 N /H GLU 136 OE1 no hydrogen 2.695 N/A
/H P3S 601 N /H GLU 136 OE2 no hydrogen 3.467 N/A
/H P3S 601 N /H GLY 249 O no hydrogen 2.568 N/A
/I HIS 253 NE2 /I P3S 601 O no hydrogen 3.058 N/A
/I ARG 299 NH1 /I P3S 601 OT no hydrogen 3.074 N/A
/I ARG 319 NE /I P3S 601 O1A no hydrogen 3.358 N/A
/I ARG 319 NE /I P3S 601 O2A no hydrogen 3.474 N/A
/I ARG 319 NE /I P3S 601 OE no hydrogen 3.425 N/A
/I ARG 319 NH1 /I P3S 601 O1A no hydrogen 2.998 N/A
/I ARG 319 NH1 /I P3S 601 O2A no hydrogen 3.373 N/A
/I ARG 340 NH1 /I P3S 601 O2A no hydrogen 3.004 N/A
/I ARG 340 NH2 /I P3S 601 OE no hydrogen 3.127 N/A
/I P3S 601 N /I GLU 136 OE1 no hydrogen 2.663 N/A
/I P3S 601 N /I GLU 136 OE2 no hydrogen 3.274 N/A
/I P3S 601 N /I GLY 249 O no hydrogen 2.753 N/A
/J HIS 253 NE2 /J P3S 601 O no hydrogen 2.812 N/A
/J ARG 299 NH1 /J P3S 601 OT no hydrogen 3.037 N/A
/J ARG 319 NE /J P3S 601 O1A no hydrogen 3.045 N/A
/J ARG 319 NE /J P3S 601 OE no hydrogen 3.164 N/A
/J ARG 319 NH1 /J P3S 601 O1A no hydrogen 2.967 N/A
/J ARG 340 NH1 /J P3S 601 O2A no hydrogen 3.191 N/A
/J ARG 340 NH2 /J P3S 601 OE no hydrogen 3.297 N/A
/J P3S 601 N /J GLU 136 OE1 no hydrogen 2.620 N/A
/J P3S 601 N /J GLU 136 OE2 no hydrogen 3.429 N/A
/J P3S 601 N /J GLY 249 O no hydrogen 2.591 N/A
/J P3S 601 N /J HOH 714 O no hydrogen 2.752 N/A
/J P3S 601 NE /J HOH 718 O no hydrogen 3.291 N/A
/J P3S 601 O1A /J P3S 601 OE no hydrogen 3.303 N/A
/J HOH 718 O /J P3S 601 O3A no hydrogen 2.759 N/A
121 hydrogen bonds found
> cartoon suppressBackboneDisplay false
> close
> open 2qc8
2qc8 title:
Crystal structure of human glutamine synthetase in complex with ADP and
methionine sulfoximine phosphate [more info...]
Chain information for 2qc8 #1
---
Chain | Description | UniProt
A B C D E F G H I J | Glutamine synthetase | GLNA_HUMAN 5-365
Non-standard residues in 2qc8 #1
---
ADP — adenosine-5'-diphosphate
CL — chloride ion
MN — manganese (II) ion
P3S — L-methionine-S-sulfoximine phosphate
> hide solvent
> style stick
Changed 28837 atom styles
> set bgColor white
> select :P3S
150 atoms, 140 bonds, 10 residues, 1 model selected
> view sel
> hide ~sel
> hbonds :P3S reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 2qc8
121 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
/A HIS 253 NE2 /A P3S 601 O no hydrogen 2.681 N/A
/A ARG 299 NH1 /A P3S 601 OT no hydrogen 3.167 N/A
/A ARG 319 NE /A P3S 601 O1A no hydrogen 2.982 N/A
/A ARG 319 NE /A P3S 601 OE no hydrogen 3.242 N/A
/A ARG 319 NH1 /A P3S 601 O1A no hydrogen 2.967 N/A
/A ARG 340 NH1 /A P3S 601 O2A no hydrogen 2.969 N/A
/A ARG 340 NH2 /A P3S 601 OE no hydrogen 2.965 N/A
/A P3S 601 N /A GLU 136 OE1 no hydrogen 2.707 N/A
/A P3S 601 N /A GLU 136 OE2 no hydrogen 3.395 N/A
/A P3S 601 N /A GLY 249 O no hydrogen 2.664 N/A
/A P3S 601 N /A HOH 733 O no hydrogen 2.655 N/A
/B HIS 253 NE2 /B P3S 601 O no hydrogen 2.621 N/A
/B ARG 299 NH1 /B P3S 601 OT no hydrogen 3.037 N/A
/B ARG 319 NE /B P3S 601 O1A no hydrogen 2.927 N/A
/B ARG 319 NE /B P3S 601 OE no hydrogen 3.059 N/A
/B ARG 319 NH1 /B P3S 601 O1A no hydrogen 2.787 N/A
/B ARG 340 NH1 /B P3S 601 O2A no hydrogen 3.220 N/A
/B ARG 340 NH2 /B P3S 601 OE no hydrogen 3.192 N/A
/B P3S 601 N /B GLU 136 OE1 no hydrogen 2.685 N/A
/B P3S 601 N /B GLU 136 OE2 no hydrogen 3.568 N/A
/B P3S 601 N /B GLY 249 O no hydrogen 2.500 N/A
/B HOH 718 O /B P3S 601 OT no hydrogen 2.603 N/A
/B HOH 741 O /B P3S 601 O3A no hydrogen 3.311 N/A
/B HOH 744 O /B P3S 601 O3A no hydrogen 2.918 N/A
/C HIS 253 NE2 /C P3S 601 O no hydrogen 2.561 N/A
/C ARG 299 NH1 /C P3S 601 OT no hydrogen 2.934 N/A
/C ARG 319 NE /C P3S 601 O1A no hydrogen 3.258 N/A
/C ARG 319 NE /C P3S 601 OE no hydrogen 3.250 N/A
/C ARG 319 NH1 /C P3S 601 O1A no hydrogen 3.015 N/A
/C ARG 340 NH1 /C P3S 601 O2A no hydrogen 3.313 N/A
/C ARG 340 NH2 /C P3S 601 OE no hydrogen 3.060 N/A
/C P3S 601 N /C GLU 136 OE1 no hydrogen 2.671 N/A
/C P3S 601 N /C GLU 136 OE2 no hydrogen 3.184 N/A
/C P3S 601 N /C GLY 249 O no hydrogen 2.862 N/A
/C P3S 601 N /C HOH 730 O no hydrogen 2.710 N/A
/C HOH 704 O /C P3S 601 OT no hydrogen 2.778 N/A
/C HOH 740 O /C P3S 601 O3A no hydrogen 2.731 N/A
/D HIS 253 NE2 /D P3S 601 O no hydrogen 2.787 N/A
/D ARG 299 NH1 /D P3S 601 OT no hydrogen 3.081 N/A
/D ARG 319 NE /D P3S 601 O1A no hydrogen 3.015 N/A
/D ARG 319 NE /D P3S 601 OE no hydrogen 3.228 N/A
/D ARG 319 NH1 /D P3S 601 O1A no hydrogen 3.052 N/A
/D ARG 340 NH1 /D P3S 601 O2A no hydrogen 3.204 N/A
/D ARG 340 NH2 /D P3S 601 OE no hydrogen 3.172 N/A
/D P3S 601 N /D GLU 136 OE1 no hydrogen 2.769 N/A
/D P3S 601 N /D GLU 136 OE2 no hydrogen 3.291 N/A
/D P3S 601 N /D GLY 249 O no hydrogen 2.821 N/A
/D P3S 601 N /D HOH 711 O no hydrogen 2.672 N/A
/E HIS 253 NE2 /E P3S 601 O no hydrogen 2.761 N/A
/E ARG 299 NH1 /E P3S 601 OT no hydrogen 3.174 N/A
/E ARG 319 NE /E P3S 601 O1A no hydrogen 2.979 N/A
/E ARG 319 NE /E P3S 601 OE no hydrogen 3.237 N/A
/E ARG 319 NH1 /E P3S 601 O1A no hydrogen 3.014 N/A
/E ARG 340 NH1 /E P3S 601 O2A no hydrogen 3.258 N/A
/E ARG 340 NH2 /E P3S 601 OE no hydrogen 3.174 N/A
/E P3S 601 N /E GLU 136 OE1 no hydrogen 2.644 N/A
/E P3S 601 N /E GLU 136 OE2 no hydrogen 3.463 N/A
/E P3S 601 N /E GLY 249 O no hydrogen 2.745 N/A
/E P3S 601 NE /E HOH 629 O no hydrogen 3.237 N/A
/E P3S 601 O3A /E GLU 134 OE1 no hydrogen 2.958 N/A
/E P3S 601 O3A /E ADP 501 O3B no hydrogen 2.929 N/A
/E HOH 629 O /E P3S 601 O3A no hydrogen 2.602 N/A
/F HIS 253 NE2 /F P3S 601 O no hydrogen 2.805 N/A
/F ARG 299 NH1 /F P3S 601 OT no hydrogen 2.873 N/A
/F ARG 319 NE /F P3S 601 O1A no hydrogen 3.349 N/A
/F ARG 319 NE /F P3S 601 O2A no hydrogen 3.486 N/A
/F ARG 319 NE /F P3S 601 OE no hydrogen 3.321 N/A
/F ARG 319 NH1 /F P3S 601 O1A no hydrogen 3.177 N/A
/F ARG 340 NH1 /F P3S 601 O2A no hydrogen 2.797 N/A
/F ARG 340 NH2 /F P3S 601 OE no hydrogen 3.034 N/A
/F P3S 601 N /F GLU 136 OE1 no hydrogen 2.618 N/A
/F P3S 601 N /F GLU 136 OE2 no hydrogen 3.283 N/A
/F P3S 601 N /F GLY 249 O no hydrogen 2.573 N/A
/F P3S 601 N /F HOH 712 O no hydrogen 2.773 N/A
/F P3S 601 NE /F GLU 136 OE2 no hydrogen 3.229 N/A
/G HIS 253 NE2 /G P3S 601 O no hydrogen 2.785 N/A
/G ARG 299 NH1 /G P3S 601 OT no hydrogen 2.907 N/A
/G ARG 319 NE /G P3S 601 O1A no hydrogen 2.695 N/A
/G ARG 319 NE /G P3S 601 OE no hydrogen 3.178 N/A
/G ARG 319 NH1 /G P3S 601 O1A no hydrogen 2.829 N/A
/G ARG 340 NH1 /G P3S 601 O2A no hydrogen 3.137 N/A
/G ARG 340 NH2 /G P3S 601 OE no hydrogen 3.276 N/A
/G P3S 601 N /G GLU 136 OE1 no hydrogen 2.587 N/A
/G P3S 601 N /G GLU 136 OE2 no hydrogen 3.306 N/A
/G P3S 601 N /G GLY 249 O no hydrogen 2.509 N/A
/H HIS 253 NE2 /H P3S 601 O no hydrogen 2.707 N/A
/H ARG 299 NH1 /H P3S 601 OT no hydrogen 2.708 N/A
/H ARG 319 NE /H P3S 601 O1A no hydrogen 2.885 N/A
/H ARG 319 NE /H P3S 601 OE no hydrogen 3.235 N/A
/H ARG 319 NH1 /H P3S 601 O1A no hydrogen 2.947 N/A
/H ARG 340 NH1 /H P3S 601 O2A no hydrogen 3.511 N/A
/H ARG 340 NH2 /H P3S 601 OE no hydrogen 3.080 N/A
/H P3S 601 N /H GLU 136 OE1 no hydrogen 2.695 N/A
/H P3S 601 N /H GLU 136 OE2 no hydrogen 3.467 N/A
/H P3S 601 N /H GLY 249 O no hydrogen 2.568 N/A
/I HIS 253 NE2 /I P3S 601 O no hydrogen 3.058 N/A
/I ARG 299 NH1 /I P3S 601 OT no hydrogen 3.074 N/A
/I ARG 319 NE /I P3S 601 O1A no hydrogen 3.358 N/A
/I ARG 319 NE /I P3S 601 O2A no hydrogen 3.474 N/A
/I ARG 319 NE /I P3S 601 OE no hydrogen 3.425 N/A
/I ARG 319 NH1 /I P3S 601 O1A no hydrogen 2.998 N/A
/I ARG 319 NH1 /I P3S 601 O2A no hydrogen 3.373 N/A
/I ARG 340 NH1 /I P3S 601 O2A no hydrogen 3.004 N/A
/I ARG 340 NH2 /I P3S 601 OE no hydrogen 3.127 N/A
/I P3S 601 N /I GLU 136 OE1 no hydrogen 2.663 N/A
/I P3S 601 N /I GLU 136 OE2 no hydrogen 3.274 N/A
/I P3S 601 N /I GLY 249 O no hydrogen 2.753 N/A
/J HIS 253 NE2 /J P3S 601 O no hydrogen 2.812 N/A
/J ARG 299 NH1 /J P3S 601 OT no hydrogen 3.037 N/A
/J ARG 319 NE /J P3S 601 O1A no hydrogen 3.045 N/A
/J ARG 319 NE /J P3S 601 OE no hydrogen 3.164 N/A
/J ARG 319 NH1 /J P3S 601 O1A no hydrogen 2.967 N/A
/J ARG 340 NH1 /J P3S 601 O2A no hydrogen 3.191 N/A
/J ARG 340 NH2 /J P3S 601 OE no hydrogen 3.297 N/A
/J P3S 601 N /J GLU 136 OE1 no hydrogen 2.620 N/A
/J P3S 601 N /J GLU 136 OE2 no hydrogen 3.429 N/A
/J P3S 601 N /J GLY 249 O no hydrogen 2.591 N/A
/J P3S 601 N /J HOH 714 O no hydrogen 2.752 N/A
/J P3S 601 NE /J HOH 718 O no hydrogen 3.291 N/A
/J P3S 601 O1A /J P3S 601 OE no hydrogen 3.303 N/A
/J HOH 718 O /J P3S 601 O3A no hydrogen 2.759 N/A
121 hydrogen bonds found
> cartoon suppressBackboneDisplay false
> select :ADP
270 atoms, 290 bonds, 10 residues, 1 model selected
> show sel
> hbonds :ADP reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 2qc8
68 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
/A SER 257 OG /A ADP 501 N1 no hydrogen 2.922 N/A
/A ARG 324 NH1 /A ADP 501 O3B no hydrogen 3.143 N/A
/A ARG 324 NH2 /A ADP 501 O2B no hydrogen 2.951 N/A
/A ADP 501 N6 /A SER 257 OG no hydrogen 3.101 N/A
/A HOH 730 O /A ADP 501 O3B no hydrogen 2.554 N/A
/A HOH 731 O /A ADP 501 O1A no hydrogen 2.763 N/A
/A HOH 732 O /B ADP 501 O1A no hydrogen 2.872 N/A
/B SER 257 OG /B ADP 501 N1 no hydrogen 2.917 N/A
/B ARG 324 NH1 /B ADP 501 O2B no hydrogen 2.988 N/A
/B ARG 324 NH2 /B ADP 501 O1B no hydrogen 2.892 N/A
/B ADP 501 N6 /B SER 257 OG no hydrogen 3.066 N/A
/B HOH 741 O /B ADP 501 O2A no hydrogen 3.223 N/A
/B HOH 741 O /B ADP 501 O3B no hydrogen 3.216 N/A
/B HOH 742 O /B ADP 501 O2B no hydrogen 2.735 N/A
/B HOH 742 O /B ADP 501 O3A no hydrogen 3.334 N/A
/C SER 257 OG /C ADP 501 N1 no hydrogen 2.843 N/A
/C ARG 324 NH1 /C ADP 501 O2B no hydrogen 3.215 N/A
/C ARG 324 NH2 /C ADP 501 O1B no hydrogen 3.241 N/A
/C ADP 501 N6 /C SER 257 OG no hydrogen 2.916 N/A
/C HOH 707 O /D ADP 501 O1A no hydrogen 2.790 N/A
/C HOH 709 O /C ADP 501 O1A no hydrogen 2.788 N/A
/C HOH 736 O /C ADP 501 O2B no hydrogen 2.455 N/A
/C HOH 738 O /C ADP 501 O2A no hydrogen 3.030 N/A
/C HOH 739 O /C ADP 501 O1A no hydrogen 2.305 N/A
/D SER 257 OG /D ADP 501 N1 no hydrogen 2.918 N/A
/D ARG 324 NH1 /D ADP 501 O2B no hydrogen 3.005 N/A
/D ARG 324 NH2 /D ADP 501 O1B no hydrogen 3.058 N/A
/D ADP 501 N6 /D SER 257 OG no hydrogen 3.262 N/A
/D HOH 747 O /D ADP 501 O2A no hydrogen 2.899 N/A
/D HOH 747 O /D ADP 501 O3B no hydrogen 3.367 N/A
/D HOH 749 O /E ADP 501 O1A no hydrogen 2.821 N/A
/E SER 257 OG /E ADP 501 N1 no hydrogen 3.090 N/A
/E ARG 324 NH1 /E ADP 501 O2B no hydrogen 3.406 N/A
/E ARG 324 NH2 /E ADP 501 O1B no hydrogen 2.996 N/A
/E ADP 501 N6 /E SER 257 OG no hydrogen 3.295 N/A
/E P3S 601 O3A /E ADP 501 O3B no hydrogen 2.929 N/A
/E HOH 624 O /E ADP 501 O1A no hydrogen 2.441 N/A
/E HOH 624 O /E ADP 501 O3A no hydrogen 3.426 N/A
/E HOH 627 O /E ADP 501 O3B no hydrogen 2.858 N/A
/E HOH 628 O /E ADP 501 O2B no hydrogen 2.753 N/A
/F SER 257 OG /F ADP 501 N1 no hydrogen 2.693 N/A
/F ARG 324 NH1 /F ADP 501 O2B no hydrogen 3.296 N/A
/F ARG 324 NH2 /F ADP 501 O1B no hydrogen 3.380 N/A
/F ADP 501 N6 /F SER 257 OG no hydrogen 3.130 N/A
/F HOH 717 O /F ADP 501 O3B no hydrogen 2.595 N/A
/F HOH 718 O /F ADP 501 O2B no hydrogen 2.910 N/A
/G SER 257 OG /G ADP 501 N1 no hydrogen 2.634 N/A
/G ARG 324 NH1 /G ADP 501 O1B no hydrogen 3.383 N/A
/G ARG 324 NH1 /G ADP 501 O2B no hydrogen 3.441 N/A
/G ARG 324 NH2 /G ADP 501 O1B no hydrogen 3.130 N/A
/G ADP 501 N6 /G SER 257 OG no hydrogen 3.164 N/A
/H SER 257 OG /H ADP 501 N1 no hydrogen 2.906 N/A
/H ARG 324 NH1 /H ADP 501 O2B no hydrogen 3.041 N/A
/H ARG 324 NH2 /H ADP 501 O1B no hydrogen 3.209 N/A
/H ADP 501 N6 /H SER 257 OG no hydrogen 3.228 N/A
/I SER 257 OG /I ADP 501 N1 no hydrogen 2.906 N/A
/I ARG 324 NH1 /I ADP 501 O2B no hydrogen 3.006 N/A
/I ARG 324 NH2 /I ADP 501 O1B no hydrogen 2.986 N/A
/I ADP 501 N6 /I SER 257 OG no hydrogen 3.204 N/A
/I HOH 718 O /I ADP 501 O2A no hydrogen 2.751 N/A
/I HOH 718 O /I ADP 501 O3B no hydrogen 3.050 N/A
/I HOH 719 O /I ADP 501 O2B no hydrogen 2.492 N/A
/J SER 257 OG /J ADP 501 N1 no hydrogen 2.924 N/A
/J ARG 324 NH1 /J ADP 501 O2B no hydrogen 3.382 N/A
/J ARG 324 NH1 /J ADP 501 O3B no hydrogen 2.995 N/A
/J ARG 324 NH2 /J ADP 501 O2B no hydrogen 2.844 N/A
/J ADP 501 N6 /J SER 257 OG no hydrogen 3.207 N/A
/J HOH 717 O /J ADP 501 O1B no hydrogen 2.707 N/A
68 hydrogen bonds found
> cartoon suppressBackboneDisplay false
> cartoon suppressBackboneDisplay true
> cartoon suppressBackboneDisplay false
> contacts :P3S makePseudobonds false reveal true log true
Allowed overlap: -0.4
H-bond overlap reduction: 0.4
Ignore contacts between atoms separated by 4 bonds or less
Detect intra-residue contacts: False
Detect intra-molecule contacts: True
596 contacts
atom1 atom2 overlap distance
/H P3S 601 NE /H HIS 253 CE1 0.395 3.005
/G P3S 601 O3A /G ADP 501 O3B 0.390 2.450
/D P3S 601 PA /D ADP 501 O3B 0.364 3.156
/H P3S 601 C /H ARG 299 NH1 0.337 3.183
/C P3S 601 PA /C ADP 501 O3B 0.323 3.197
/I P3S 601 CE /I GLU 196 OE1 0.309 2.991
/G P3S 601 C /G ARG 299 NH1 0.309 3.211
/I P3S 601 PA /I ADP 501 O3B 0.303 3.217
/H P3S 601 CE /H GLU 196 OE1 0.303 2.997
/C P3S 601 NE /C HIS 253 CE1 0.297 3.103
/F P3S 601 O3A /F GLU 134 OE1 0.295 2.545
/F P3S 601 N /F GLU 136 CD 0.291 3.229
/C P3S 601 N /C GLU 136 CD 0.281 3.239
/D P3S 601 CE /D GLU 196 OE1 0.264 3.036
/C P3S 601 C /C ARG 299 NH1 0.264 3.256
/A P3S 601 CE /A GLU 305 OE2 0.259 3.041
/I P3S 601 O3A /I GLU 134 OE1 0.257 2.583
/H P3S 601 CE /H GLU 196 CD 0.255 3.505
/J P3S 601 NE /J HIS 253 CE1 0.248 3.152
/A P3S 601 PA /A ADP 501 O1B 0.245 3.275
/G P3S 601 N /G GLU 136 CD 0.240 3.280
/J P3S 601 PA /J HIS 253 CE1 0.238 3.622
/C P3S 601 CE /C GLU 196 OE1 0.238 3.062
/I P3S 601 NE /I HIS 253 CE1 0.233 3.167
/A P3S 601 O3A /A ADP 501 O1B 0.229 2.611
/E P3S 601 NE /E HIS 253 CE1 0.226 3.174
/F P3S 601 C /F ARG 299 NH1 0.220 3.300
/I P3S 601 N /I GLU 136 CD 0.218 3.302
/B P3S 601 CE /B GLU 196 OE1 0.217 3.083
/G P3S 601 CE /G GLU 196 CD 0.215 3.545
/E P3S 601 PA /E ADP 501 O3B 0.214 3.306
/F P3S 601 O3A /F MN 403 MN 0.213 1.867
/D P3S 601 C /D ARG 299 NH1 0.205 3.315
/C P3S 601 CE /C GLU 196 CD 0.199 3.561
/E P3S 601 CE /E GLU 196 OE1 0.195 3.105
/I P3S 601 CE /I GLU 196 CD 0.191 3.569
/I P3S 601 O3A /I ADP 501 O3B 0.189 2.651
/B P3S 601 O3A /B MN 403 MN 0.178 1.942
/H P3S 601 O2A /H ADP 501 PB 0.177 3.343
/D P3S 601 CE /D GLU 196 CD 0.174 3.586
/D P3S 601 O3A /D ADP 501 O3B 0.172 2.668
/D P3S 601 N /D GLU 136 CD 0.171 3.349
/J P3S 601 OE /J ARG 319 CD 0.170 3.130
/B P3S 601 PA /B ADP 501 O3B 0.169 3.351
/I P3S 601 C /I ARG 299 NH1 0.168 3.352
/G P3S 601 CE /G GLU 196 OE2 0.167 3.133
/J P3S 601 C /J ARG 299 NH1 0.167 3.353
/E P3S 601 C /E ARG 299 NH1 0.162 3.358
/D P3S 601 NE /D HIS 253 CE1 0.162 3.238
/B P3S 601 N /B GLY 249 O 0.160 2.500
/E P3S 601 CE /E GLU 196 CD 0.160 3.600
/J P3S 601 N /J GLU 136 CD 0.160 3.360
/D P3S 601 O3A /D MN 403 MN 0.154 1.926
/G P3S 601 N /G GLY 249 O 0.151 2.509
/C P3S 601 CB /C HIS 253 CE1 0.150 3.490
/F P3S 601 PA /F HIS 253 CE1 0.147 3.713
/B P3S 601 CE /B GLU 196 CD 0.144 3.616
/A P3S 601 N /A GLU 136 CD 0.138 3.382
/G P3S 601 CE /G GLU 196 OE1 0.137 3.163
/F P3S 601 CB /F GLU 136 OE2 0.136 3.164
/B P3S 601 C /B ARG 299 NH1 0.135 3.385
/H P3S 601 O2A /H ADP 501 O2B 0.133 2.707
/H P3S 601 PA /H ADP 501 O3B 0.132 3.388
/A P3S 601 O2A /A HIS 253 CE1 0.125 3.055
/I P3S 601 OE /I GLU 305 CD 0.123 3.177
/D P3S 601 OE /D ARG 319 CD 0.122 3.178
/E P3S 601 N /E GLU 136 CD 0.118 3.402
/H P3S 601 PA /H HIS 253 CE1 0.116 3.744
/J P3S 601 CE /J GLU 196 CD 0.114 3.646
/A P3S 601 CG /A HOH 733 O 0.113 3.227
/C P3S 601 CE /C TYR 162 CE1 0.111 3.529
/A P3S 601 CE /E ASP 63 OD2 0.106 3.194
/B P3S 601 CG /B GLU 305 OE2 0.101 3.199
/C P3S 601 O /C HIS 253 NE2 0.099 2.561
/F P3S 601 CG /F GLU 305 OE2 0.098 3.202
/E P3S 601 O2A /E ADP 501 PB 0.098 3.422
/C P3S 601 O2A /C ADP 501 PB 0.098 3.422
/H P3S 601 N /H GLU 136 CD 0.097 3.423
/J P3S 601 O2A /J HIS 253 CE1 0.094 3.086
/H P3S 601 N /H GLY 249 O 0.092 2.568
/I P3S 601 PA /I HIS 253 CE1 0.090 3.770
/I P3S 601 O3A /I MN 403 MN 0.088 1.992
/G P3S 601 OE /G ARG 319 CD 0.087 3.213
/A P3S 601 O3A /A MN 403 MN 0.087 1.993
/F P3S 601 N /F GLY 249 O 0.087 2.573
/E P3S 601 PA /E HIS 253 CE1 0.085 3.775
/J P3S 601 CG /J GLU 305 CD 0.085 3.675
/G P3S 601 O3A /G MN 403 MN 0.083 1.997
/H P3S 601 CG /H GLU 305 OE2 0.083 3.217
/A P3S 601 NE /A MN 401 MN 0.081 2.219
/F P3S 601 O2A /F HIS 253 CE1 0.079 3.101
/A P3S 601 C /A ARG 299 NH1 0.078 3.442
/B P3S 601 N /B GLU 136 CD 0.077 3.443
/A P3S 601 O2A /A MN 402 MN 0.077 2.003
/D P3S 601 PA /D HIS 253 CE1 0.076 3.784
/C P3S 601 O2A /C MN 402 MN 0.074 2.006
/J P3S 601 CG /J GLU 305 OE2 0.073 3.227
/G P3S 601 N /G GLU 136 OE1 0.073 2.587
/F P3S 601 CG /F HOH 712 O 0.073 3.267
/H P3S 601 OE /H ARG 319 CD 0.072 3.228
/J P3S 601 N /J GLY 249 O 0.069 2.591
/F P3S 601 CE /F GLU 305 OE2 0.067 3.233
/A P3S 601 CB /A GLU 136 OE2 0.066 3.234
/H P3S 601 CE /H GLU 196 OE2 0.065 3.235
/J P3S 601 O3A /J MN 403 MN 0.064 2.016
/F P3S 601 O3A /F ADP 501 O3B 0.063 2.777
/H P3S 601 O2A /H MN 402 MN 0.062 2.018
/C P3S 601 CE /C GLU 196 OE2 0.060 3.240
/C P3S 601 OE /C ARG 319 CD 0.057 3.243
/E P3S 601 PA /E HOH 629 O 0.057 3.503
/D P3S 601 O3A /D GLU 134 OE1 0.053 2.787
/B P3S 601 OE /B ARG 319 CD 0.052 3.248
/E P3S 601 OT /E ARG 299 CD 0.051 3.249
/F P3S 601 CE /F GLU 196 CD 0.051 3.709
/J P3S 601 CE /J GLU 196 OE1 0.050 3.250
/B P3S 601 NE /B HIS 253 CE1 0.047 3.353
/C P3S 601 CG /C HOH 730 O 0.046 3.294
/C P3S 601 PA /C HIS 253 CE1 0.046 3.814
/B P3S 601 PA /B HIS 253 CE1 0.046 3.814
/A P3S 601 N /A HOH 733 O 0.045 2.655
/J P3S 601 PA /J HOH 718 O 0.043 3.517
/F P3S 601 N /F GLU 136 OE1 0.042 2.618
/A P3S 601 OT /A ARG 299 CD 0.042 3.258
/J P3S 601 N /J GLU 136 OE1 0.040 2.620
/B P3S 601 O /B HIS 253 NE2 0.039 2.621
/J P3S 601 CE /J TYR 162 CE1 0.038 3.602
/G P3S 601 PA /G ADP 501 O3B 0.035 3.485
/J P3S 601 CE /J GLU 196 OE2 0.034 3.266
/H P3S 601 CE /H TYR 162 CE1 0.033 3.607
/D P3S 601 N /D HOH 711 O 0.028 2.672
/F P3S 601 CE /F GLU 196 OE1 0.026 3.274
/G P3S 601 PA /G HIS 253 CE1 0.024 3.836
/F P3S 601 NE /F HIS 253 CE1 0.024 3.376
/A P3S 601 PA /A HIS 253 CE1 0.020 3.840
/H P3S 601 CB /H GLU 136 OE2 0.020 3.280
/I P3S 601 CG /I GLU 196 OE2 0.020 3.280
/G P3S 601 O2A /G HIS 253 CE1 0.020 3.160
/E P3S 601 OE /E ARG 319 CD 0.020 3.280
/J P3S 601 OE /J GLU 305 CD 0.019 3.281
/A P3S 601 PA /A HOH 704 O 0.017 3.543
/E P3S 601 N /E GLU 136 OE1 0.016 2.644
/E P3S 601 O3A /E MN 403 MN 0.016 2.104
/C P3S 601 O3A /C MN 401 MN 0.015 2.065
/F P3S 601 CB /F GLU 136 CD 0.014 3.746
/A P3S 601 O3A /A GLU 134 OE1 0.011 2.829
/A P3S 601 CB /A GLU 136 CD 0.011 3.749
/B P3S 601 O2A /B HIS 253 CE1 0.011 3.169
/H P3S 601 OE /H GLU 305 CD 0.010 3.290
/C P3S 601 O3A /C GLU 203 OE1 0.009 2.831
/B P3S 601 PA /B HOH 744 O 0.008 3.552
/A P3S 601 CB /A HIS 253 CE1 0.007 3.633
/C P3S 601 O2A /C ADP 501 O3B 0.005 2.835
/G P3S 601 NE /G MN 401 MN 0.004 2.296
/B P3S 601 CE /B TYR 162 CE1 -0.002 3.642
/I P3S 601 N /I GLU 136 OE1 -0.003 2.663
/A P3S 601 N /A GLY 249 O -0.004 2.664
/E P3S 601 CE /E GLU 196 OE2 -0.007 3.307
/D P3S 601 NE /D MN 401 MN -0.009 2.309
/J P3S 601 PA /J ADP 501 O1B -0.010 3.530
/C P3S 601 N /C HOH 730 O -0.010 2.710
/C P3S 601 N /C GLU 136 OE1 -0.011 2.671
/D P3S 601 CB /D HIS 253 CE1 -0.012 3.652
/G P3S 601 OE /G GLU 305 CD -0.014 3.314
/B P3S 601 O2A /B MN 402 MN -0.017 2.097
/E P3S 601 O3A /E MN 401 MN -0.021 2.141
/I P3S 601 OT /I ARG 299 CD -0.021 3.321
/A P3S 601 O /A HIS 253 NE2 -0.021 2.681
/F P3S 601 CA /F GLU 136 OE1 -0.023 3.323
/F P3S 601 NE /F MN 401 MN -0.023 2.323
/B P3S 601 N /B GLU 136 OE1 -0.025 2.685
/B P3S 601 C /B HOH 718 O -0.025 3.365
/E P3S 601 O2A /E MN 402 MN -0.027 2.107
/D P3S 601 O2A /D HIS 253 CE1 -0.028 3.208
/B P3S 601 CB /B HIS 253 CE1 -0.031 3.671
/A P3S 601 CE /A GLU 305 CD -0.031 3.791
/A P3S 601 CA /A GLU 136 OE1 -0.034 3.334
/H P3S 601 N /H GLU 136 OE1 -0.035 2.695
/G P3S 601 O1A /G ARG 319 NE -0.035 2.695
/H P3S 601 PA /H ADP 501 PB -0.035 4.235
/A P3S 601 OE /A ARG 319 CD -0.040 3.340
/B P3S 601 CE /B GLU 305 OE2 -0.044 3.344
/H P3S 601 O /H HIS 253 NE2 -0.047 2.707
/A P3S 601 N /A GLU 136 OE1 -0.047 2.707
/B P3S 601 CA /B HOH 718 O -0.048 3.388
/H P3S 601 OT /H ARG 299 NH1 -0.048 2.708
/J P3S 601 N /J HOH 714 O -0.052 2.752
/F P3S 601 OT /F THR 306 CG2 -0.055 3.355
/A P3S 601 CG /A GLU 305 OE2 -0.056 3.356
/F P3S 601 OT /F ARG 299 CD -0.058 3.358
/E P3S 601 PA /E ADP 501 PB -0.058 4.258
/D P3S 601 CE /D GLU 196 OE2 -0.059 3.359
/I P3S 601 CG /I GLU 305 OE2 -0.059 3.359
/B P3S 601 NE /B MN 401 MN -0.060 2.360
/H P3S 601 CE /H GLU 305 OE2 -0.067 3.367
/B P3S 601 OT /B ARG 299 CD -0.069 3.369
/C P3S 601 PA /C ADP 501 PB -0.071 4.271
/G P3S 601 OT /G THR 306 CG2 -0.071 3.371
/F P3S 601 N /F HOH 712 O -0.073 2.773
/J P3S 601 CG /J GLU 305 CB -0.073 3.833
/F P3S 601 CE /J ASP 63 OD2 -0.074 3.374
/E P3S 601 OT /E THR 306 CG2 -0.075 3.375
/D P3S 601 O2A /D MN 402 MN -0.075 2.155
/F P3S 601 OE /F GLU 305 CD -0.075 3.375
/C P3S 601 CB /C HIS 253 NE2 -0.076 3.596
/G P3S 601 NE /G HIS 253 CE1 -0.076 3.476
/I P3S 601 PA /I ARG 319 NH1 -0.076 3.816
/A P3S 601 CG /A GLU 136 OE2 -0.077 3.377
/J P3S 601 O3A /J ADP 501 O1B -0.077 2.917
/H P3S 601 CG /H GLU 136 OE2 -0.077 3.377
/D P3S 601 PA /D MN 401 MN -0.079 2.839
/I P3S 601 CG /I GLU 196 CD -0.081 3.841
/I P3S 601 CE /I TYR 162 CE1 -0.081 3.721
/I P3S 601 PA /I ADP 501 PB -0.081 4.281
/E P3S 601 O3A /E HOH 629 O -0.082 2.602
/G P3S 601 OT /G ARG 299 CD -0.082 3.382
/C P3S 601 CG /C GLU 136 OE2 -0.083 3.383
/B P3S 601 PA /B ADP 501 PB -0.084 4.284
/E P3S 601 N /E GLY 249 O -0.085 2.745
/H P3S 601 O3A /H MN 403 MN -0.085 2.165
/J P3S 601 O3A /J GLU 134 OE1 -0.088 2.928
/H P3S 601 CB /H GLU 136 CD -0.089 3.849
/F P3S 601 CE /F GLU 196 OE2 -0.090 3.390
/E P3S 601 CE /E GLU 305 OE2 -0.090 3.390
/B P3S 601 CB /B GLU 136 CD -0.091 3.851
/I P3S 601 N /I GLY 249 O -0.093 2.753
/J P3S 601 CE /I ASP 63 OD2 -0.093 3.393
/H P3S 601 OT /H ARG 299 CD -0.093 3.393
/G P3S 601 CE /G GLU 305 OE2 -0.094 3.394
/F P3S 601 OE /F ARG 319 CD -0.095 3.395
/D P3S 601 PA /D ADP 501 PB -0.095 4.295
/A P3S 601 CE /A GLU 196 CD -0.096 3.856
/I P3S 601 CG /I GLU 136 OE2 -0.097 3.397
/A P3S 601 PA /A ADP 501 PB -0.097 4.297
/B P3S 601 CA /B GLU 136 OE1 -0.098 3.398
/I P3S 601 CE /I GLU 196 OE2 -0.098 3.398
/B P3S 601 CE /B GLU 196 OE2 -0.100 3.400
/E P3S 601 O /E HIS 253 NE2 -0.101 2.761
/C P3S 601 CB /C ARG 340 NH2 -0.107 3.627
/F P3S 601 CG /F GLU 305 CD -0.107 3.867
/G P3S 601 PA /G ARG 319 NE -0.108 3.848
/C P3S 601 PA /C HOH 740 O -0.109 3.669
/D P3S 601 N /D GLU 136 OE1 -0.109 2.769
/E P3S 601 CB /E HIS 253 CE1 -0.110 3.750
/C P3S 601 O3A /C MN 403 MN -0.111 2.191
/G P3S 601 CG /G GLU 305 CD -0.112 3.872
/I P3S 601 O2A /I ADP 501 PB -0.113 3.633
/H P3S 601 O3A /H GLU 203 OE1 -0.115 2.955
/A P3S 601 CB /A GLU 136 OE1 -0.116 3.416
/G P3S 601 O1A /G ARG 319 CZ -0.116 3.146
/G P3S 601 CG /G GLU 305 OE2 -0.117 3.417
/H P3S 601 CB /H HIS 253 CE1 -0.117 3.757
/D P3S 601 OE /D GLU 305 CD -0.120 3.420
/J P3S 601 OT /J THR 306 CG2 -0.120 3.420
/C P3S 601 OT /C ARG 299 CD -0.122 3.422
/B P3S 601 OT /B HOH 718 O -0.123 2.603
/E P3S 601 O3A /E GLU 203 CD -0.123 3.463
/E P3S 601 CA /E GLU 136 OE1 -0.123 3.423
/G P3S 601 CE /G TYR 162 CE1 -0.124 3.764
/D P3S 601 O3A /D MN 401 MN -0.125 2.205
/I P3S 601 PA /I ARG 319 NE -0.125 3.865
/G P3S 601 O /G HIS 253 NE2 -0.125 2.785
/G P3S 601 O2A /G MN 402 MN -0.126 2.206
/B P3S 601 O1A /B ARG 319 NH1 -0.127 2.787
/D P3S 601 O /D HIS 253 NE2 -0.127 2.787
/H P3S 601 O2A /H HIS 253 CE1 -0.127 3.307
/I P3S 601 CE /I GLU 305 OE2 -0.128 3.428
/C P3S 601 O3A /C GLU 134 OE1 -0.128 2.968
/E P3S 601 O2A /E HIS 253 CE1 -0.128 3.308
/D P3S 601 OT /D ARG 299 CD -0.129 3.429
/G P3S 601 O3A /G GLU 134 OE1 -0.131 2.971
/B P3S 601 PA /B MN 401 MN -0.132 2.892
/F P3S 601 CE /F TYR 162 CE1 -0.132 3.772
/C P3S 601 CB /C GLU 136 OE2 -0.134 3.434
/D P3S 601 O2A /D ADP 501 O3B -0.135 2.975
/D P3S 601 O3A /D GLU 203 OE1 -0.135 2.975
/J P3S 601 PA /J ADP 501 PB -0.136 4.336
/F P3S 601 O2A /F ARG 340 NH1 -0.137 2.797
/J P3S 601 CE /J GLU 305 OE2 -0.137 3.437
/B P3S 601 O3A /B MN 401 MN -0.138 2.258
/G P3S 601 CG /G ASN 248 ND2 -0.142 3.662
/D P3S 601 CG /D HOH 711 O -0.144 3.484
/H P3S 601 O3A /H MN 401 MN -0.144 2.224
/B P3S 601 O3A /B GLU 203 CD -0.145 3.485
/F P3S 601 O /F HIS 253 NE2 -0.145 2.805
/J P3S 601 PA /J ARG 319 NE -0.145 3.885
/G P3S 601 O /G ARG 299 NH1 -0.147 2.807
/A P3S 601 CE /A GLU 196 OE2 -0.147 3.447
/G P3S 601 CE /G VAL 197 CG2 -0.147 3.907
/D P3S 601 O2A /D ADP 501 PB -0.147 3.667
/B P3S 601 OT /B THR 306 CG2 -0.148 3.448
/I P3S 601 OE /I ARG 319 CD -0.148 3.448
/E P3S 601 CE /E TYR 162 CE1 -0.148 3.788
/B P3S 601 O2A /B ADP 501 PB -0.151 3.671
/J P3S 601 O /J HIS 253 NE2 -0.152 2.812
/C P3S 601 O2A /C ADP 501 O2B -0.155 2.995
/E P3S 601 CG /E GLU 305 OE2 -0.156 3.456
/D P3S 601 CB /D HIS 253 NE2 -0.156 3.676
/B P3S 601 CB /B GLU 136 OE2 -0.157 3.457
/G P3S 601 OE /G GLU 305 OE1 -0.158 2.998
/A P3S 601 CE /A GLU 196 OE1 -0.158 3.458
/H P3S 601 CB /H HIS 253 NE2 -0.158 3.678
/D P3S 601 N /D GLY 249 O -0.161 2.821
/F P3S 601 CB /F GLU 136 OE1 -0.165 3.465
/H P3S 601 PA /H ARG 319 NE -0.168 3.908
/I P3S 601 O3A /I MN 401 MN -0.168 2.248
/G P3S 601 O1A /G ARG 319 NH1 -0.169 2.829
/F P3S 601 O3A /F ADP 501 PB -0.169 3.689
/B P3S 601 O2A /B ADP 501 O2B -0.169 3.009
/E P3S 601 O2A /E ADP 501 O3B -0.171 3.011
/E P3S 601 O2A /E ADP 501 O2B -0.172 3.012
/H P3S 601 CA /H GLU 136 OE1 -0.173 3.473
/J P3S 601 O3A /J MN 401 MN -0.173 2.253
/F P3S 601 PA /F MN 401 MN -0.174 2.934
/J P3S 601 CE /J VAL 197 CG2 -0.174 3.934
/A P3S 601 PA /A MN 401 MN -0.176 2.936
/D P3S 601 CE /D TYR 162 CE1 -0.178 3.818
/C P3S 601 OE /C GLU 305 CD -0.178 3.478
/H P3S 601 PA /H ARG 319 NH1 -0.178 3.918
/C P3S 601 PA /C ARG 319 NH1 -0.180 3.920
/D P3S 601 OT /D THR 306 CG2 -0.181 3.481
/D P3S 601 CG /D GLU 136 OE2 -0.182 3.482
/B P3S 601 CE /A ASP 63 OD2 -0.183 3.483
/I P3S 601 NE /I MN 401 MN -0.183 2.483
/C P3S 601 PA /C ARG 319 NE -0.184 3.924
/H P3S 601 O2A /H ADP 501 O3B -0.185 3.025
/E P3S 601 PA /E MN 401 MN -0.185 2.945
/C P3S 601 C /C HIS 253 NE2 -0.186 3.706
/H P3S 601 PA /H MN 401 MN -0.186 2.946
/I P3S 601 CA /I GLU 136 OE1 -0.187 3.487
/E P3S 601 CB /E HIS 253 NE2 -0.187 3.707
/G P3S 601 PA /G MN 401 MN -0.187 2.947
/B P3S 601 CE /B VAL 197 CG2 -0.188 3.948
/H P3S 601 O3A /H ADP 501 O3B -0.188 3.028
/D P3S 601 O3A /D GLU 203 CD -0.190 3.490
/B P3S 601 CB /B GLU 136 OE1 -0.191 3.491
/G P3S 601 CE /F ASP 63 OD2 -0.192 3.492
/J P3S 601 CA /J GLU 136 OE1 -0.193 3.493
/J P3S 601 NE /J MN 401 MN -0.194 2.494
/D P3S 601 O /D ARG 299 NH1 -0.194 2.854
/F P3S 601 CE /F GLU 305 CD -0.195 3.955
/G P3S 601 CA /G GLU 136 OE1 -0.195 3.495
/J P3S 601 PA /J HIS 253 ND1 -0.196 3.936
/G P3S 601 PA /G ADP 501 PB -0.196 4.396
/B P3S 601 OE /B GLU 305 CD -0.196 3.496
/F P3S 601 CA /F HOH 712 O -0.197 3.537
/A P3S 601 PA /A GLU 134 OE1 -0.198 3.718
/H P3S 601 CB /H ARG 340 NH2 -0.198 3.718
/G P3S 601 CA /G GLY 249 O -0.199 3.499
/J P3S 601 OT /J ARG 299 CD -0.200 3.500
/C P3S 601 CA /C GLU 136 OE1 -0.201 3.501
/B P3S 601 PA /B ARG 319 NH1 -0.201 3.941
/J P3S 601 CG /J HOH 714 O -0.202 3.542
/C P3S 601 N /C GLY 249 O -0.202 2.862
/C P3S 601 C /C HOH 704 O -0.203 3.543
/G P3S 601 CB /G HIS 253 CE1 -0.203 3.843
/G P3S 601 O3A /G ADP 501 PB -0.203 3.723
/E P3S 601 CE /D ASP 63 OD2 -0.204 3.504
/J P3S 601 PA /J MN 401 MN -0.206 2.966
/A P3S 601 CE /A TYR 162 CE1 -0.208 3.848
/G P3S 601 CB /G GLU 136 OE2 -0.208 3.508
/C P3S 601 CA /C HOH 704 O -0.208 3.548
/H P3S 601 PA /H HOH 609 O -0.209 3.769
/E P3S 601 NE /E MN 401 MN -0.209 2.509
/I P3S 601 PA /I MN 401 MN -0.210 2.970
/E P3S 601 PA /E ARG 319 NE -0.211 3.951
/G P3S 601 CB /G ARG 340 NH2 -0.211 3.731
/I P3S 601 CA /I ASN 248 ND2 -0.212 3.732
/E P3S 601 O /E ARG 299 NH1 -0.212 2.872
/J P3S 601 CB /J HIS 253 CE1 -0.212 3.852
/E P3S 601 OE /E GLU 305 CD -0.213 3.513
/F P3S 601 OT /F ARG 299 NH1 -0.213 2.873
/C P3S 601 O2A /C HIS 253 CE1 -0.213 3.393
/A P3S 601 CE /A VAL 197 CG2 -0.215 3.975
/I P3S 601 CG /I ASN 248 ND2 -0.215 3.735
/G P3S 601 CE /G GLU 305 CD -0.216 3.976
/F P3S 601 CG /F GLU 136 OE2 -0.218 3.518
/F P3S 601 C /F GLU 136 OE1 -0.218 3.518
/F P3S 601 CA /F GLU 136 CD -0.219 3.979
/I P3S 601 PA /I GLU 134 OE1 -0.219 3.739
/A P3S 601 OT /A THR 306 CG2 -0.220 3.520
/F P3S 601 CG /F ASN 248 ND2 -0.220 3.740
/I P3S 601 O /I ARG 299 NH1 -0.221 2.881
/D P3S 601 PA /D ARG 319 NE -0.222 3.962
/A P3S 601 C /A GLU 136 OE1 -0.222 3.522
/D P3S 601 PA /D GLU 134 OE1 -0.223 3.743
/H P3S 601 O1A /H ARG 319 NE -0.225 2.885
/C P3S 601 O /C ARG 299 NH1 -0.226 2.886
/J P3S 601 O2A /J ADP 501 O3B -0.226 3.066
/C P3S 601 CB /C GLU 136 CD -0.227 3.987
/F P3S 601 PA /F ARG 319 NE -0.228 3.968
/D P3S 601 CG /D GLU 305 OE2 -0.228 3.528
/C P3S 601 PA /C GLU 134 OE1 -0.230 3.750
/H P3S 601 CG /H GLU 305 CD -0.230 3.990
/C P3S 601 OT /C THR 306 CG2 -0.230 3.530
/I P3S 601 O2A /I ADP 501 O3B -0.230 3.070
/J P3S 601 CB /J GLU 136 OE2 -0.231 3.531
/C P3S 601 O3A /C GLU 203 CD -0.233 3.533
/E P3S 601 CB /E GLU 136 CD -0.235 3.995
/E P3S 601 C /E GLU 136 OE1 -0.236 3.536
/E P3S 601 C /E THR 306 CG2 -0.236 3.996
/J P3S 601 OE /J GLU 305 OE1 -0.237 3.077
/F P3S 601 PA /F ARG 319 NH1 -0.237 3.977
/F P3S 601 PA /F ADP 501 PB -0.238 4.438
/D P3S 601 CE /D GLU 305 OE2 -0.240 3.540
/I P3S 601 C /I GLU 136 OE1 -0.240 3.540
/A P3S 601 PA /A ARG 319 NE -0.241 3.981
/C P3S 601 CE /B ASP 63 OD2 -0.241 3.541
/F P3S 601 CG /F GLU 196 OE2 -0.245 3.545
/J P3S 601 O2A /J ADP 501 PB -0.245 3.765
/B P3S 601 PA /B GLU 134 OE1 -0.245 3.765
/G P3S 601 OT /G ARG 299 NH1 -0.247 2.907
/A P3S 601 CB /A HIS 253 NE2 -0.248 3.768
/H P3S 601 CG /H GLU 196 OE2 -0.249 3.549
/G P3S 601 PA /G ARG 319 NH1 -0.249 3.989
/E P3S 601 CB /E ARG 340 NH2 -0.251 3.771
/C P3S 601 O3A /C HOH 740 O -0.251 2.731
/C P3S 601 O3A /C ADP 501 O3B -0.253 3.093
/B P3S 601 O1A /B ARG 319 CZ -0.253 3.283
/B P3S 601 CB /B HIS 253 NE2 -0.253 3.773
/J P3S 601 O2A /J MN 402 MN -0.255 2.335
/E P3S 601 CG /E GLU 136 OE2 -0.255 3.555
/J P3S 601 SD /J GLU 305 CD -0.258 3.908
/C P3S 601 CG /C GLU 196 OE2 -0.259 3.559
/F P3S 601 CB /F HIS 253 CE1 -0.259 3.899
/B P3S 601 CG /B GLU 305 CD -0.262 4.022
/D P3S 601 PA /D HIS 253 ND1 -0.263 4.003
/H P3S 601 NE /H MN 401 MN -0.263 2.563
/D P3S 601 CG /D GLU 196 OE2 -0.264 3.564
/J P3S 601 CB /J ARG 340 NH2 -0.264 3.784
/A P3S 601 O3A /A GLU 203 OE1 -0.265 3.105
/B P3S 601 PA /B ARG 319 NE -0.265 4.005
/I P3S 601 CB /I GLU 136 OE2 -0.266 3.566
/H P3S 601 PA /H GLU 134 OE1 -0.266 3.786
/G P3S 601 C /G THR 306 CG2 -0.266 4.026
/J P3S 601 CE /J GLU 305 CD -0.267 4.027
/B P3S 601 O1A /B ARG 319 NE -0.267 2.927
/J P3S 601 O1A /J ARG 319 NH1 -0.267 2.967
/I P3S 601 OT /I GLY 249 O -0.270 3.110
/C P3S 601 OT /C ARG 299 NH1 -0.274 2.934
/H P3S 601 O1A /H ARG 319 CZ -0.276 3.306
/B P3S 601 O3A /B ADP 501 O3B -0.276 2.756
/C P3S 601 PA /C HIS 253 ND1 -0.279 4.019
/J P3S 601 O3A /J HOH 718 O -0.279 2.759
/H P3S 601 C /H GLU 136 OE1 -0.281 3.581
/E P3S 601 CE /E VAL 197 CG2 -0.282 4.042
/D P3S 601 CB /D GLU 136 OE2 -0.282 3.582
/I P3S 601 CB /I ARG 340 NH2 -0.283 3.803
/C P3S 601 O /C HIS 253 CE1 -0.284 3.464
/E P3S 601 CB /E GLU 136 OE2 -0.285 3.585
/E P3S 601 PA /E ARG 319 NH1 -0.285 4.025
/H P3S 601 O1A /H ARG 319 NH1 -0.287 2.947
/I P3S 601 PA /I HIS 253 ND1 -0.290 4.030
/C P3S 601 PA /C MN 401 MN -0.291 3.051
/F P3S 601 SD /F GLU 305 CD -0.293 3.943
/H P3S 601 O3A /H HOH 608 O -0.293 2.773
/C P3S 601 CG /C GLU 196 CD -0.293 4.053
/G P3S 601 CB /G GLU 136 CD -0.295 4.055
/A P3S 601 CA /A GLU 136 CD -0.295 4.055
/F P3S 601 CG /F GLU 196 CD -0.296 4.056
/F P3S 601 PA /F HIS 253 ND1 -0.296 4.036
/B P3S 601 C /B HIS 253 NE2 -0.297 3.817
/B P3S 601 C /B GLU 136 OE1 -0.298 3.598
/C P3S 601 OT /C HOH 704 O -0.298 2.778
/J P3S 601 PA /J ARG 319 NH1 -0.298 4.038
/E P3S 601 CB /E GLU 136 OE1 -0.300 3.600
/F P3S 601 N /F GLY 249 C -0.301 3.551
/F P3S 601 PA /F ADP 501 O3B -0.303 3.823
/A P3S 601 OE /A ARG 340 NH2 -0.305 2.965
/H P3S 601 O3A /H GLU 203 CD -0.307 3.607
/A P3S 601 O1A /A ARG 319 NH1 -0.307 2.967
/A P3S 601 O2A /A ARG 340 NH1 -0.309 2.969
/B P3S 601 O /B HIS 253 CE1 -0.309 3.489
/D P3S 601 CA /D HOH 711 O -0.310 3.650
/I P3S 601 OE /I GLU 305 CB -0.310 3.610
/I P3S 601 OE /I GLU 305 OE1 -0.310 3.150
/J P3S 601 C /J GLU 136 OE1 -0.311 3.611
/H P3S 601 PA /H HIS 253 ND1 -0.311 4.051
/A P3S 601 NE /A HIS 253 CE1 -0.312 3.712
/H P3S 601 O /H ARG 299 NH1 -0.312 2.972
/A P3S 601 CG /A GLU 196 OE2 -0.312 3.612
/F P3S 601 SD /F GLU 305 OE2 -0.313 3.503
/J P3S 601 CB /J GLU 136 CD -0.313 4.073
/J P3S 601 O /J ARG 299 NH1 -0.313 2.973
/A P3S 601 C /A THR 306 CG2 -0.314 4.074
/I P3S 601 C /I THR 306 CG2 -0.314 4.074
/H P3S 601 SD /H GLU 305 OE2 -0.315 3.505
/G P3S 601 PA /G GLU 134 OE1 -0.315 3.835
/A P3S 601 PA /A ARG 319 NH1 -0.316 4.056
/B P3S 601 CG /B ASN 248 ND2 -0.316 3.836
/A P3S 601 CG /A GLU 196 CD -0.317 4.077
/G P3S 601 SD /G GLU 305 CD -0.318 3.968
/E P3S 601 O1A /E ARG 319 NE -0.319 2.979
/J P3S 601 CB /J HIS 253 NE2 -0.320 3.840
/A P3S 601 O3A /A MN 401 MN -0.320 2.400
/F P3S 601 CE /F VAL 197 CG2 -0.322 4.082
/H P3S 601 CG /H ASN 248 ND2 -0.322 3.842
/A P3S 601 O1A /A ARG 319 NE -0.322 2.982
/I P3S 601 SD /I GLU 305 CD -0.323 3.973
/J P3S 601 CA /J HOH 714 O -0.323 3.663
/I P3S 601 O2A /I HIS 253 CE1 -0.323 3.503
/F P3S 601 PA /F GLU 134 OE1 -0.324 3.844
/B P3S 601 PA /B HIS 253 ND1 -0.324 4.064
/A P3S 601 O3A /A GLU 203 CD -0.325 3.625
/C P3S 601 CE /C TYR 162 CD1 -0.325 3.965
/H P3S 601 C /H HIS 253 NE2 -0.327 3.847
/G P3S 601 CG /G GLU 305 CB -0.328 4.088
/I P3S 601 CG /I GLU 305 CD -0.330 4.090
/H P3S 601 CE /G ASP 63 OD2 -0.330 3.630
/G P3S 601 CB /G HIS 253 NE2 -0.330 3.850
/H P3S 601 CB /H GLU 136 OE1 -0.332 3.632
/A P3S 601 C /A HIS 253 NE2 -0.333 3.853
/I P3S 601 CB /I HIS 253 CE1 -0.334 3.974
/B P3S 601 CG /B GLU 305 CB -0.335 4.095
/A P3S 601 NE /A GLU 196 OE1 -0.337 2.997
/A P3S 601 CB /A ARG 340 NH2 -0.338 3.858
/I P3S 601 O1A /I ARG 319 NH1 -0.338 2.998
/A P3S 601 O /A ARG 299 NH1 -0.340 3.000
/H P3S 601 CG /H GLU 196 CD -0.340 4.100
/D P3S 601 CB /D ARG 340 NH2 -0.342 3.862
/B P3S 601 CG /B GLU 196 CD -0.342 4.102
/I P3S 601 O2A /I MN 402 MN -0.342 2.422
/I P3S 601 CE /H ASP 63 OD2 -0.343 3.643
/A P3S 601 PA /A HIS 253 ND1 -0.343 4.083
/F P3S 601 O /F ARG 299 NH1 -0.343 3.003
/J P3S 601 CE /J TYR 162 CD1 -0.344 3.984
/I P3S 601 SD /I GLU 305 OE2 -0.344 3.534
/I P3S 601 O2A /I ARG 340 NH1 -0.344 3.004
/J P3S 601 O1A /J ARG 319 CZ -0.344 3.414
/J P3S 601 O1A /J ARG 319 NE -0.345 3.045
/E P3S 601 PA /E HIS 253 ND1 -0.346 4.086
/G P3S 601 CG /G GLU 196 OE2 -0.347 3.647
/B P3S 601 O /B ARG 299 NH1 -0.347 3.007
/I P3S 601 CE /I GLU 305 CD -0.348 4.108
/J P3S 601 CA /J GLY 249 O -0.348 3.648
/I P3S 601 PA /I ARG 340 NH1 -0.350 4.090
/B P3S 601 SD /B GLU 305 OE2 -0.351 3.541
/I P3S 601 O3A /I GLU 203 CD -0.352 3.652
/D P3S 601 CG /D GLU 196 CD -0.354 4.114
/A P3S 601 SD /A GLU 305 OE2 -0.354 3.544
/E P3S 601 O1A /E ARG 319 NH1 -0.354 3.014
/C P3S 601 CA /C GLU 136 CD -0.354 4.114
/E P3S 601 PA /E GLU 134 OE1 -0.355 3.875
/H P3S 601 O2A /H GLU 134 OE1 -0.355 3.195
/C P3S 601 O1A /C ARG 319 NH1 -0.355 3.015
/D P3S 601 O1A /D ARG 319 NE -0.355 3.015
/C P3S 601 C /C GLU 136 OE1 -0.356 3.656
/A P3S 601 CA /A HOH 733 O -0.357 3.697
/F P3S 601 C /F THR 306 CG2 -0.357 4.117
/D P3S 601 CB /D GLU 136 CD -0.358 4.118
/D P3S 601 CA /D GLU 136 OE1 -0.358 3.658
/A P3S 601 CG /A GLU 305 CD -0.358 4.118
/A P3S 601 O /A HIS 253 CE1 -0.361 3.541
/H P3S 601 CA /H GLU 136 CD -0.362 4.122
/F P3S 601 O2A /F MN 402 MN -0.362 2.442
/A P3S 601 O1A /A ARG 319 CZ -0.363 3.393
/B P3S 601 CA /B GLY 249 O -0.363 3.663
/B P3S 601 SD /B GLU 196 OE1 -0.364 3.554
/E P3S 601 CG /E GLU 305 CD -0.367 4.127
/I P3S 601 CA /I GLY 249 O -0.367 3.667
/H P3S 601 CE /H GLU 305 CD -0.368 4.128
/J P3S 601 O3A /J GLU 203 CD -0.368 3.668
/I P3S 601 O3A /I GLU 203 OE1 -0.368 3.208
/C P3S 601 O2A /C GLU 134 OE1 -0.370 3.210
/I P3S 601 CB /I GLU 136 CD -0.372 4.132
/J P3S 601 CG /J ASN 248 ND2 -0.372 3.892
/F P3S 601 OE /F ARG 340 NH2 -0.374 3.034
/A P3S 601 O3A /A ADP 501 PB -0.375 3.895
/D P3S 601 C /D THR 306 CG2 -0.375 4.135
/J P3S 601 OT /J ARG 299 NH1 -0.377 3.037
/B P3S 601 OT /B ARG 299 NH1 -0.377 3.037
/E P3S 601 CE /E GLU 305 CD -0.378 4.138
/D P3S 601 CE /C ASP 63 OD2 -0.379 3.679
/I P3S 601 CB /I GLU 305 CB -0.381 4.141
/E P3S 601 O3A /E GLU 203 OE1 -0.381 2.861
/C P3S 601 CE /C GLU 305 OE2 -0.381 3.681
/F P3S 601 CB /F HIS 253 NE2 -0.383 3.903
/E P3S 601 O1A /E ARG 319 CZ -0.385 3.415
/J P3S 601 CG /J GLU 305 CG -0.386 4.146
/I P3S 601 CA /I GLU 136 CD -0.386 4.146
/B P3S 601 CE /B TYR 162 CD1 -0.386 4.026
/A P3S 601 CE /E ASP 63 CG -0.389 4.149
/G P3S 601 O2A /G ADP 501 PB -0.389 3.909
/C P3S 601 O /C HIS 253 CD2 -0.389 3.569
/H P3S 601 SD /H GLU 305 CD -0.390 4.040
/D P3S 601 O1A /D ARG 319 NH1 -0.392 3.052
/B P3S 601 CG /B GLU 136 OE2 -0.393 3.693
/J P3S 601 O3A /J GLU 203 OE1 -0.393 3.233
/C P3S 601 CA /C HOH 730 O -0.394 3.734
/G P3S 601 CA /G GLU 136 CD -0.396 4.156
/A P3S 601 NE /A GLU 196 CD -0.397 3.917
/I P3S 601 O /I HIS 253 NE2 -0.398 3.058
/B P3S 601 O3A /B HOH 744 O -0.398 2.918
/E P3S 601 CG /E GLU 305 CB -0.399 4.159
/B P3S 601 OE /B ARG 319 NE -0.399 3.059
/B P3S 601 CA /B GLU 136 CD -0.399 4.159
/C P3S 601 OE /C ARG 340 NH2 -0.400 3.060
596 contacts
> label @@display
> close
> open 2qc8
2qc8 title:
Crystal structure of human glutamine synthetase in complex with ADP and
methionine sulfoximine phosphate [more info...]
Chain information for 2qc8 #1
---
Chain | Description | UniProt
A B C D E F G H I J | Glutamine synthetase | GLNA_HUMAN 5-365
Non-standard residues in 2qc8 #1
---
ADP — adenosine-5'-diphosphate
CL — chloride ion
MN — manganese (II) ion
P3S — L-methionine-S-sulfoximine phosphate
> hide solvent
> style stick
Changed 28837 atom styles
> select :P3S
150 atoms, 140 bonds, 10 residues, 1 model selected
> view sel
> hide ~sel
> hbonds :P3S reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 2qc8
121 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
/A HIS 253 NE2 /A P3S 601 O no hydrogen 2.681 N/A
/A ARG 299 NH1 /A P3S 601 OT no hydrogen 3.167 N/A
/A ARG 319 NE /A P3S 601 O1A no hydrogen 2.982 N/A
/A ARG 319 NE /A P3S 601 OE no hydrogen 3.242 N/A
/A ARG 319 NH1 /A P3S 601 O1A no hydrogen 2.967 N/A
/A ARG 340 NH1 /A P3S 601 O2A no hydrogen 2.969 N/A
/A ARG 340 NH2 /A P3S 601 OE no hydrogen 2.965 N/A
/A P3S 601 N /A GLU 136 OE1 no hydrogen 2.707 N/A
/A P3S 601 N /A GLU 136 OE2 no hydrogen 3.395 N/A
/A P3S 601 N /A GLY 249 O no hydrogen 2.664 N/A
/A P3S 601 N /A HOH 733 O no hydrogen 2.655 N/A
/B HIS 253 NE2 /B P3S 601 O no hydrogen 2.621 N/A
/B ARG 299 NH1 /B P3S 601 OT no hydrogen 3.037 N/A
/B ARG 319 NE /B P3S 601 O1A no hydrogen 2.927 N/A
/B ARG 319 NE /B P3S 601 OE no hydrogen 3.059 N/A
/B ARG 319 NH1 /B P3S 601 O1A no hydrogen 2.787 N/A
/B ARG 340 NH1 /B P3S 601 O2A no hydrogen 3.220 N/A
/B ARG 340 NH2 /B P3S 601 OE no hydrogen 3.192 N/A
/B P3S 601 N /B GLU 136 OE1 no hydrogen 2.685 N/A
/B P3S 601 N /B GLU 136 OE2 no hydrogen 3.568 N/A
/B P3S 601 N /B GLY 249 O no hydrogen 2.500 N/A
/B HOH 718 O /B P3S 601 OT no hydrogen 2.603 N/A
/B HOH 741 O /B P3S 601 O3A no hydrogen 3.311 N/A
/B HOH 744 O /B P3S 601 O3A no hydrogen 2.918 N/A
/C HIS 253 NE2 /C P3S 601 O no hydrogen 2.561 N/A
/C ARG 299 NH1 /C P3S 601 OT no hydrogen 2.934 N/A
/C ARG 319 NE /C P3S 601 O1A no hydrogen 3.258 N/A
/C ARG 319 NE /C P3S 601 OE no hydrogen 3.250 N/A
/C ARG 319 NH1 /C P3S 601 O1A no hydrogen 3.015 N/A
/C ARG 340 NH1 /C P3S 601 O2A no hydrogen 3.313 N/A
/C ARG 340 NH2 /C P3S 601 OE no hydrogen 3.060 N/A
/C P3S 601 N /C GLU 136 OE1 no hydrogen 2.671 N/A
/C P3S 601 N /C GLU 136 OE2 no hydrogen 3.184 N/A
/C P3S 601 N /C GLY 249 O no hydrogen 2.862 N/A
/C P3S 601 N /C HOH 730 O no hydrogen 2.710 N/A
/C HOH 704 O /C P3S 601 OT no hydrogen 2.778 N/A
/C HOH 740 O /C P3S 601 O3A no hydrogen 2.731 N/A
/D HIS 253 NE2 /D P3S 601 O no hydrogen 2.787 N/A
/D ARG 299 NH1 /D P3S 601 OT no hydrogen 3.081 N/A
/D ARG 319 NE /D P3S 601 O1A no hydrogen 3.015 N/A
/D ARG 319 NE /D P3S 601 OE no hydrogen 3.228 N/A
/D ARG 319 NH1 /D P3S 601 O1A no hydrogen 3.052 N/A
/D ARG 340 NH1 /D P3S 601 O2A no hydrogen 3.204 N/A
/D ARG 340 NH2 /D P3S 601 OE no hydrogen 3.172 N/A
/D P3S 601 N /D GLU 136 OE1 no hydrogen 2.769 N/A
/D P3S 601 N /D GLU 136 OE2 no hydrogen 3.291 N/A
/D P3S 601 N /D GLY 249 O no hydrogen 2.821 N/A
/D P3S 601 N /D HOH 711 O no hydrogen 2.672 N/A
/E HIS 253 NE2 /E P3S 601 O no hydrogen 2.761 N/A
/E ARG 299 NH1 /E P3S 601 OT no hydrogen 3.174 N/A
/E ARG 319 NE /E P3S 601 O1A no hydrogen 2.979 N/A
/E ARG 319 NE /E P3S 601 OE no hydrogen 3.237 N/A
/E ARG 319 NH1 /E P3S 601 O1A no hydrogen 3.014 N/A
/E ARG 340 NH1 /E P3S 601 O2A no hydrogen 3.258 N/A
/E ARG 340 NH2 /E P3S 601 OE no hydrogen 3.174 N/A
/E P3S 601 N /E GLU 136 OE1 no hydrogen 2.644 N/A
/E P3S 601 N /E GLU 136 OE2 no hydrogen 3.463 N/A
/E P3S 601 N /E GLY 249 O no hydrogen 2.745 N/A
/E P3S 601 NE /E HOH 629 O no hydrogen 3.237 N/A
/E P3S 601 O3A /E GLU 134 OE1 no hydrogen 2.958 N/A
/E P3S 601 O3A /E ADP 501 O3B no hydrogen 2.929 N/A
/E HOH 629 O /E P3S 601 O3A no hydrogen 2.602 N/A
/F HIS 253 NE2 /F P3S 601 O no hydrogen 2.805 N/A
/F ARG 299 NH1 /F P3S 601 OT no hydrogen 2.873 N/A
/F ARG 319 NE /F P3S 601 O1A no hydrogen 3.349 N/A
/F ARG 319 NE /F P3S 601 O2A no hydrogen 3.486 N/A
/F ARG 319 NE /F P3S 601 OE no hydrogen 3.321 N/A
/F ARG 319 NH1 /F P3S 601 O1A no hydrogen 3.177 N/A
/F ARG 340 NH1 /F P3S 601 O2A no hydrogen 2.797 N/A
/F ARG 340 NH2 /F P3S 601 OE no hydrogen 3.034 N/A
/F P3S 601 N /F GLU 136 OE1 no hydrogen 2.618 N/A
/F P3S 601 N /F GLU 136 OE2 no hydrogen 3.283 N/A
/F P3S 601 N /F GLY 249 O no hydrogen 2.573 N/A
/F P3S 601 N /F HOH 712 O no hydrogen 2.773 N/A
/F P3S 601 NE /F GLU 136 OE2 no hydrogen 3.229 N/A
/G HIS 253 NE2 /G P3S 601 O no hydrogen 2.785 N/A
/G ARG 299 NH1 /G P3S 601 OT no hydrogen 2.907 N/A
/G ARG 319 NE /G P3S 601 O1A no hydrogen 2.695 N/A
/G ARG 319 NE /G P3S 601 OE no hydrogen 3.178 N/A
/G ARG 319 NH1 /G P3S 601 O1A no hydrogen 2.829 N/A
/G ARG 340 NH1 /G P3S 601 O2A no hydrogen 3.137 N/A
/G ARG 340 NH2 /G P3S 601 OE no hydrogen 3.276 N/A
/G P3S 601 N /G GLU 136 OE1 no hydrogen 2.587 N/A
/G P3S 601 N /G GLU 136 OE2 no hydrogen 3.306 N/A
/G P3S 601 N /G GLY 249 O no hydrogen 2.509 N/A
/H HIS 253 NE2 /H P3S 601 O no hydrogen 2.707 N/A
/H ARG 299 NH1 /H P3S 601 OT no hydrogen 2.708 N/A
/H ARG 319 NE /H P3S 601 O1A no hydrogen 2.885 N/A
/H ARG 319 NE /H P3S 601 OE no hydrogen 3.235 N/A
/H ARG 319 NH1 /H P3S 601 O1A no hydrogen 2.947 N/A
/H ARG 340 NH1 /H P3S 601 O2A no hydrogen 3.511 N/A
/H ARG 340 NH2 /H P3S 601 OE no hydrogen 3.080 N/A
/H P3S 601 N /H GLU 136 OE1 no hydrogen 2.695 N/A
/H P3S 601 N /H GLU 136 OE2 no hydrogen 3.467 N/A
/H P3S 601 N /H GLY 249 O no hydrogen 2.568 N/A
/I HIS 253 NE2 /I P3S 601 O no hydrogen 3.058 N/A
/I ARG 299 NH1 /I P3S 601 OT no hydrogen 3.074 N/A
/I ARG 319 NE /I P3S 601 O1A no hydrogen 3.358 N/A
/I ARG 319 NE /I P3S 601 O2A no hydrogen 3.474 N/A
/I ARG 319 NE /I P3S 601 OE no hydrogen 3.425 N/A
/I ARG 319 NH1 /I P3S 601 O1A no hydrogen 2.998 N/A
/I ARG 319 NH1 /I P3S 601 O2A no hydrogen 3.373 N/A
/I ARG 340 NH1 /I P3S 601 O2A no hydrogen 3.004 N/A
/I ARG 340 NH2 /I P3S 601 OE no hydrogen 3.127 N/A
/I P3S 601 N /I GLU 136 OE1 no hydrogen 2.663 N/A
/I P3S 601 N /I GLU 136 OE2 no hydrogen 3.274 N/A
/I P3S 601 N /I GLY 249 O no hydrogen 2.753 N/A
/J HIS 253 NE2 /J P3S 601 O no hydrogen 2.812 N/A
/J ARG 299 NH1 /J P3S 601 OT no hydrogen 3.037 N/A
/J ARG 319 NE /J P3S 601 O1A no hydrogen 3.045 N/A
/J ARG 319 NE /J P3S 601 OE no hydrogen 3.164 N/A
/J ARG 319 NH1 /J P3S 601 O1A no hydrogen 2.967 N/A
/J ARG 340 NH1 /J P3S 601 O2A no hydrogen 3.191 N/A
/J ARG 340 NH2 /J P3S 601 OE no hydrogen 3.297 N/A
/J P3S 601 N /J GLU 136 OE1 no hydrogen 2.620 N/A
/J P3S 601 N /J GLU 136 OE2 no hydrogen 3.429 N/A
/J P3S 601 N /J GLY 249 O no hydrogen 2.591 N/A
/J P3S 601 N /J HOH 714 O no hydrogen 2.752 N/A
/J P3S 601 NE /J HOH 718 O no hydrogen 3.291 N/A
/J P3S 601 O1A /J P3S 601 OE no hydrogen 3.303 N/A
/J HOH 718 O /J P3S 601 O3A no hydrogen 2.759 N/A
121 hydrogen bonds found
> select :ADP
270 atoms, 290 bonds, 10 residues, 1 model selected
> show sel
> hbonds :ADP reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 2qc8
68 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
/A SER 257 OG /A ADP 501 N1 no hydrogen 2.922 N/A
/A ARG 324 NH1 /A ADP 501 O3B no hydrogen 3.143 N/A
/A ARG 324 NH2 /A ADP 501 O2B no hydrogen 2.951 N/A
/A ADP 501 N6 /A SER 257 OG no hydrogen 3.101 N/A
/A HOH 730 O /A ADP 501 O3B no hydrogen 2.554 N/A
/A HOH 731 O /A ADP 501 O1A no hydrogen 2.763 N/A
/A HOH 732 O /B ADP 501 O1A no hydrogen 2.872 N/A
/B SER 257 OG /B ADP 501 N1 no hydrogen 2.917 N/A
/B ARG 324 NH1 /B ADP 501 O2B no hydrogen 2.988 N/A
/B ARG 324 NH2 /B ADP 501 O1B no hydrogen 2.892 N/A
/B ADP 501 N6 /B SER 257 OG no hydrogen 3.066 N/A
/B HOH 741 O /B ADP 501 O2A no hydrogen 3.223 N/A
/B HOH 741 O /B ADP 501 O3B no hydrogen 3.216 N/A
/B HOH 742 O /B ADP 501 O2B no hydrogen 2.735 N/A
/B HOH 742 O /B ADP 501 O3A no hydrogen 3.334 N/A
/C SER 257 OG /C ADP 501 N1 no hydrogen 2.843 N/A
/C ARG 324 NH1 /C ADP 501 O2B no hydrogen 3.215 N/A
/C ARG 324 NH2 /C ADP 501 O1B no hydrogen 3.241 N/A
/C ADP 501 N6 /C SER 257 OG no hydrogen 2.916 N/A
/C HOH 707 O /D ADP 501 O1A no hydrogen 2.790 N/A
/C HOH 709 O /C ADP 501 O1A no hydrogen 2.788 N/A
/C HOH 736 O /C ADP 501 O2B no hydrogen 2.455 N/A
/C HOH 738 O /C ADP 501 O2A no hydrogen 3.030 N/A
/C HOH 739 O /C ADP 501 O1A no hydrogen 2.305 N/A
/D SER 257 OG /D ADP 501 N1 no hydrogen 2.918 N/A
/D ARG 324 NH1 /D ADP 501 O2B no hydrogen 3.005 N/A
/D ARG 324 NH2 /D ADP 501 O1B no hydrogen 3.058 N/A
/D ADP 501 N6 /D SER 257 OG no hydrogen 3.262 N/A
/D HOH 747 O /D ADP 501 O2A no hydrogen 2.899 N/A
/D HOH 747 O /D ADP 501 O3B no hydrogen 3.367 N/A
/D HOH 749 O /E ADP 501 O1A no hydrogen 2.821 N/A
/E SER 257 OG /E ADP 501 N1 no hydrogen 3.090 N/A
/E ARG 324 NH1 /E ADP 501 O2B no hydrogen 3.406 N/A
/E ARG 324 NH2 /E ADP 501 O1B no hydrogen 2.996 N/A
/E ADP 501 N6 /E SER 257 OG no hydrogen 3.295 N/A
/E P3S 601 O3A /E ADP 501 O3B no hydrogen 2.929 N/A
/E HOH 624 O /E ADP 501 O1A no hydrogen 2.441 N/A
/E HOH 624 O /E ADP 501 O3A no hydrogen 3.426 N/A
/E HOH 627 O /E ADP 501 O3B no hydrogen 2.858 N/A
/E HOH 628 O /E ADP 501 O2B no hydrogen 2.753 N/A
/F SER 257 OG /F ADP 501 N1 no hydrogen 2.693 N/A
/F ARG 324 NH1 /F ADP 501 O2B no hydrogen 3.296 N/A
/F ARG 324 NH2 /F ADP 501 O1B no hydrogen 3.380 N/A
/F ADP 501 N6 /F SER 257 OG no hydrogen 3.130 N/A
/F HOH 717 O /F ADP 501 O3B no hydrogen 2.595 N/A
/F HOH 718 O /F ADP 501 O2B no hydrogen 2.910 N/A
/G SER 257 OG /G ADP 501 N1 no hydrogen 2.634 N/A
/G ARG 324 NH1 /G ADP 501 O1B no hydrogen 3.383 N/A
/G ARG 324 NH1 /G ADP 501 O2B no hydrogen 3.441 N/A
/G ARG 324 NH2 /G ADP 501 O1B no hydrogen 3.130 N/A
/G ADP 501 N6 /G SER 257 OG no hydrogen 3.164 N/A
/H SER 257 OG /H ADP 501 N1 no hydrogen 2.906 N/A
/H ARG 324 NH1 /H ADP 501 O2B no hydrogen 3.041 N/A
/H ARG 324 NH2 /H ADP 501 O1B no hydrogen 3.209 N/A
/H ADP 501 N6 /H SER 257 OG no hydrogen 3.228 N/A
/I SER 257 OG /I ADP 501 N1 no hydrogen 2.906 N/A
/I ARG 324 NH1 /I ADP 501 O2B no hydrogen 3.006 N/A
/I ARG 324 NH2 /I ADP 501 O1B no hydrogen 2.986 N/A
/I ADP 501 N6 /I SER 257 OG no hydrogen 3.204 N/A
/I HOH 718 O /I ADP 501 O2A no hydrogen 2.751 N/A
/I HOH 718 O /I ADP 501 O3B no hydrogen 3.050 N/A
/I HOH 719 O /I ADP 501 O2B no hydrogen 2.492 N/A
/J SER 257 OG /J ADP 501 N1 no hydrogen 2.924 N/A
/J ARG 324 NH1 /J ADP 501 O2B no hydrogen 3.382 N/A
/J ARG 324 NH1 /J ADP 501 O3B no hydrogen 2.995 N/A
/J ARG 324 NH2 /J ADP 501 O2B no hydrogen 2.844 N/A
/J ADP 501 N6 /J SER 257 OG no hydrogen 3.207 N/A
/J HOH 717 O /J ADP 501 O1B no hydrogen 2.707 N/A
68 hydrogen bonds found
> contacts :P3S makePseudobonds false reveal true log true
Allowed overlap: -0.4
H-bond overlap reduction: 0.4
Ignore contacts between atoms separated by 4 bonds or less
Detect intra-residue contacts: False
Detect intra-molecule contacts: True
596 contacts
atom1 atom2 overlap distance
/H P3S 601 NE /H HIS 253 CE1 0.395 3.005
/G P3S 601 O3A /G ADP 501 O3B 0.390 2.450
/D P3S 601 PA /D ADP 501 O3B 0.364 3.156
/H P3S 601 C /H ARG 299 NH1 0.337 3.183
/C P3S 601 PA /C ADP 501 O3B 0.323 3.197
/I P3S 601 CE /I GLU 196 OE1 0.309 2.991
/G P3S 601 C /G ARG 299 NH1 0.309 3.211
/I P3S 601 PA /I ADP 501 O3B 0.303 3.217
/H P3S 601 CE /H GLU 196 OE1 0.303 2.997
/C P3S 601 NE /C HIS 253 CE1 0.297 3.103
/F P3S 601 O3A /F GLU 134 OE1 0.295 2.545
/F P3S 601 N /F GLU 136 CD 0.291 3.229
/C P3S 601 N /C GLU 136 CD 0.281 3.239
/D P3S 601 CE /D GLU 196 OE1 0.264 3.036
/C P3S 601 C /C ARG 299 NH1 0.264 3.256
/A P3S 601 CE /A GLU 305 OE2 0.259 3.041
/I P3S 601 O3A /I GLU 134 OE1 0.257 2.583
/H P3S 601 CE /H GLU 196 CD 0.255 3.505
/J P3S 601 NE /J HIS 253 CE1 0.248 3.152
/A P3S 601 PA /A ADP 501 O1B 0.245 3.275
/G P3S 601 N /G GLU 136 CD 0.240 3.280
/J P3S 601 PA /J HIS 253 CE1 0.238 3.622
/C P3S 601 CE /C GLU 196 OE1 0.238 3.062
/I P3S 601 NE /I HIS 253 CE1 0.233 3.167
/A P3S 601 O3A /A ADP 501 O1B 0.229 2.611
/E P3S 601 NE /E HIS 253 CE1 0.226 3.174
/F P3S 601 C /F ARG 299 NH1 0.220 3.300
/I P3S 601 N /I GLU 136 CD 0.218 3.302
/B P3S 601 CE /B GLU 196 OE1 0.217 3.083
/G P3S 601 CE /G GLU 196 CD 0.215 3.545
/E P3S 601 PA /E ADP 501 O3B 0.214 3.306
/F P3S 601 O3A /F MN 403 MN 0.213 1.867
/D P3S 601 C /D ARG 299 NH1 0.205 3.315
/C P3S 601 CE /C GLU 196 CD 0.199 3.561
/E P3S 601 CE /E GLU 196 OE1 0.195 3.105
/I P3S 601 CE /I GLU 196 CD 0.191 3.569
/I P3S 601 O3A /I ADP 501 O3B 0.189 2.651
/B P3S 601 O3A /B MN 403 MN 0.178 1.942
/H P3S 601 O2A /H ADP 501 PB 0.177 3.343
/D P3S 601 CE /D GLU 196 CD 0.174 3.586
/D P3S 601 O3A /D ADP 501 O3B 0.172 2.668
/D P3S 601 N /D GLU 136 CD 0.171 3.349
/J P3S 601 OE /J ARG 319 CD 0.170 3.130
/B P3S 601 PA /B ADP 501 O3B 0.169 3.351
/I P3S 601 C /I ARG 299 NH1 0.168 3.352
/G P3S 601 CE /G GLU 196 OE2 0.167 3.133
/J P3S 601 C /J ARG 299 NH1 0.167 3.353
/E P3S 601 C /E ARG 299 NH1 0.162 3.358
/D P3S 601 NE /D HIS 253 CE1 0.162 3.238
/B P3S 601 N /B GLY 249 O 0.160 2.500
/E P3S 601 CE /E GLU 196 CD 0.160 3.600
/J P3S 601 N /J GLU 136 CD 0.160 3.360
/D P3S 601 O3A /D MN 403 MN 0.154 1.926
/G P3S 601 N /G GLY 249 O 0.151 2.509
/C P3S 601 CB /C HIS 253 CE1 0.150 3.490
/F P3S 601 PA /F HIS 253 CE1 0.147 3.713
/B P3S 601 CE /B GLU 196 CD 0.144 3.616
/A P3S 601 N /A GLU 136 CD 0.138 3.382
/G P3S 601 CE /G GLU 196 OE1 0.137 3.163
/F P3S 601 CB /F GLU 136 OE2 0.136 3.164
/B P3S 601 C /B ARG 299 NH1 0.135 3.385
/H P3S 601 O2A /H ADP 501 O2B 0.133 2.707
/H P3S 601 PA /H ADP 501 O3B 0.132 3.388
/A P3S 601 O2A /A HIS 253 CE1 0.125 3.055
/I P3S 601 OE /I GLU 305 CD 0.123 3.177
/D P3S 601 OE /D ARG 319 CD 0.122 3.178
/E P3S 601 N /E GLU 136 CD 0.118 3.402
/H P3S 601 PA /H HIS 253 CE1 0.116 3.744
/J P3S 601 CE /J GLU 196 CD 0.114 3.646
/A P3S 601 CG /A HOH 733 O 0.113 3.227
/C P3S 601 CE /C TYR 162 CE1 0.111 3.529
/A P3S 601 CE /E ASP 63 OD2 0.106 3.194
/B P3S 601 CG /B GLU 305 OE2 0.101 3.199
/C P3S 601 O /C HIS 253 NE2 0.099 2.561
/F P3S 601 CG /F GLU 305 OE2 0.098 3.202
/E P3S 601 O2A /E ADP 501 PB 0.098 3.422
/C P3S 601 O2A /C ADP 501 PB 0.098 3.422
/H P3S 601 N /H GLU 136 CD 0.097 3.423
/J P3S 601 O2A /J HIS 253 CE1 0.094 3.086
/H P3S 601 N /H GLY 249 O 0.092 2.568
/I P3S 601 PA /I HIS 253 CE1 0.090 3.770
/I P3S 601 O3A /I MN 403 MN 0.088 1.992
/G P3S 601 OE /G ARG 319 CD 0.087 3.213
/A P3S 601 O3A /A MN 403 MN 0.087 1.993
/F P3S 601 N /F GLY 249 O 0.087 2.573
/E P3S 601 PA /E HIS 253 CE1 0.085 3.775
/J P3S 601 CG /J GLU 305 CD 0.085 3.675
/G P3S 601 O3A /G MN 403 MN 0.083 1.997
/H P3S 601 CG /H GLU 305 OE2 0.083 3.217
/A P3S 601 NE /A MN 401 MN 0.081 2.219
/F P3S 601 O2A /F HIS 253 CE1 0.079 3.101
/A P3S 601 C /A ARG 299 NH1 0.078 3.442
/B P3S 601 N /B GLU 136 CD 0.077 3.443
/A P3S 601 O2A /A MN 402 MN 0.077 2.003
/D P3S 601 PA /D HIS 253 CE1 0.076 3.784
/C P3S 601 O2A /C MN 402 MN 0.074 2.006
/J P3S 601 CG /J GLU 305 OE2 0.073 3.227
/G P3S 601 N /G GLU 136 OE1 0.073 2.587
/F P3S 601 CG /F HOH 712 O 0.073 3.267
/H P3S 601 OE /H ARG 319 CD 0.072 3.228
/J P3S 601 N /J GLY 249 O 0.069 2.591
/F P3S 601 CE /F GLU 305 OE2 0.067 3.233
/A P3S 601 CB /A GLU 136 OE2 0.066 3.234
/H P3S 601 CE /H GLU 196 OE2 0.065 3.235
/J P3S 601 O3A /J MN 403 MN 0.064 2.016
/F P3S 601 O3A /F ADP 501 O3B 0.063 2.777
/H P3S 601 O2A /H MN 402 MN 0.062 2.018
/C P3S 601 CE /C GLU 196 OE2 0.060 3.240
/C P3S 601 OE /C ARG 319 CD 0.057 3.243
/E P3S 601 PA /E HOH 629 O 0.057 3.503
/D P3S 601 O3A /D GLU 134 OE1 0.053 2.787
/B P3S 601 OE /B ARG 319 CD 0.052 3.248
/E P3S 601 OT /E ARG 299 CD 0.051 3.249
/F P3S 601 CE /F GLU 196 CD 0.051 3.709
/J P3S 601 CE /J GLU 196 OE1 0.050 3.250
/B P3S 601 NE /B HIS 253 CE1 0.047 3.353
/C P3S 601 CG /C HOH 730 O 0.046 3.294
/C P3S 601 PA /C HIS 253 CE1 0.046 3.814
/B P3S 601 PA /B HIS 253 CE1 0.046 3.814
/A P3S 601 N /A HOH 733 O 0.045 2.655
/J P3S 601 PA /J HOH 718 O 0.043 3.517
/F P3S 601 N /F GLU 136 OE1 0.042 2.618
/A P3S 601 OT /A ARG 299 CD 0.042 3.258
/J P3S 601 N /J GLU 136 OE1 0.040 2.620
/B P3S 601 O /B HIS 253 NE2 0.039 2.621
/J P3S 601 CE /J TYR 162 CE1 0.038 3.602
/G P3S 601 PA /G ADP 501 O3B 0.035 3.485
/J P3S 601 CE /J GLU 196 OE2 0.034 3.266
/H P3S 601 CE /H TYR 162 CE1 0.033 3.607
/D P3S 601 N /D HOH 711 O 0.028 2.672
/F P3S 601 CE /F GLU 196 OE1 0.026 3.274
/G P3S 601 PA /G HIS 253 CE1 0.024 3.836
/F P3S 601 NE /F HIS 253 CE1 0.024 3.376
/A P3S 601 PA /A HIS 253 CE1 0.020 3.840
/H P3S 601 CB /H GLU 136 OE2 0.020 3.280
/I P3S 601 CG /I GLU 196 OE2 0.020 3.280
/G P3S 601 O2A /G HIS 253 CE1 0.020 3.160
/E P3S 601 OE /E ARG 319 CD 0.020 3.280
/J P3S 601 OE /J GLU 305 CD 0.019 3.281
/A P3S 601 PA /A HOH 704 O 0.017 3.543
/E P3S 601 N /E GLU 136 OE1 0.016 2.644
/E P3S 601 O3A /E MN 403 MN 0.016 2.104
/C P3S 601 O3A /C MN 401 MN 0.015 2.065
/F P3S 601 CB /F GLU 136 CD 0.014 3.746
/A P3S 601 O3A /A GLU 134 OE1 0.011 2.829
/A P3S 601 CB /A GLU 136 CD 0.011 3.749
/B P3S 601 O2A /B HIS 253 CE1 0.011 3.169
/H P3S 601 OE /H GLU 305 CD 0.010 3.290
/C P3S 601 O3A /C GLU 203 OE1 0.009 2.831
/B P3S 601 PA /B HOH 744 O 0.008 3.552
/A P3S 601 CB /A HIS 253 CE1 0.007 3.633
/C P3S 601 O2A /C ADP 501 O3B 0.005 2.835
/G P3S 601 NE /G MN 401 MN 0.004 2.296
/B P3S 601 CE /B TYR 162 CE1 -0.002 3.642
/I P3S 601 N /I GLU 136 OE1 -0.003 2.663
/A P3S 601 N /A GLY 249 O -0.004 2.664
/E P3S 601 CE /E GLU 196 OE2 -0.007 3.307
/D P3S 601 NE /D MN 401 MN -0.009 2.309
/J P3S 601 PA /J ADP 501 O1B -0.010 3.530
/C P3S 601 N /C HOH 730 O -0.010 2.710
/C P3S 601 N /C GLU 136 OE1 -0.011 2.671
/D P3S 601 CB /D HIS 253 CE1 -0.012 3.652
/G P3S 601 OE /G GLU 305 CD -0.014 3.314
/B P3S 601 O2A /B MN 402 MN -0.017 2.097
/E P3S 601 O3A /E MN 401 MN -0.021 2.141
/I P3S 601 OT /I ARG 299 CD -0.021 3.321
/A P3S 601 O /A HIS 253 NE2 -0.021 2.681
/F P3S 601 CA /F GLU 136 OE1 -0.023 3.323
/F P3S 601 NE /F MN 401 MN -0.023 2.323
/B P3S 601 N /B GLU 136 OE1 -0.025 2.685
/B P3S 601 C /B HOH 718 O -0.025 3.365
/E P3S 601 O2A /E MN 402 MN -0.027 2.107
/D P3S 601 O2A /D HIS 253 CE1 -0.028 3.208
/B P3S 601 CB /B HIS 253 CE1 -0.031 3.671
/A P3S 601 CE /A GLU 305 CD -0.031 3.791
/A P3S 601 CA /A GLU 136 OE1 -0.034 3.334
/H P3S 601 N /H GLU 136 OE1 -0.035 2.695
/G P3S 601 O1A /G ARG 319 NE -0.035 2.695
/H P3S 601 PA /H ADP 501 PB -0.035 4.235
/A P3S 601 OE /A ARG 319 CD -0.040 3.340
/B P3S 601 CE /B GLU 305 OE2 -0.044 3.344
/H P3S 601 O /H HIS 253 NE2 -0.047 2.707
/A P3S 601 N /A GLU 136 OE1 -0.047 2.707
/B P3S 601 CA /B HOH 718 O -0.048 3.388
/H P3S 601 OT /H ARG 299 NH1 -0.048 2.708
/J P3S 601 N /J HOH 714 O -0.052 2.752
/F P3S 601 OT /F THR 306 CG2 -0.055 3.355
/A P3S 601 CG /A GLU 305 OE2 -0.056 3.356
/F P3S 601 OT /F ARG 299 CD -0.058 3.358
/E P3S 601 PA /E ADP 501 PB -0.058 4.258
/D P3S 601 CE /D GLU 196 OE2 -0.059 3.359
/I P3S 601 CG /I GLU 305 OE2 -0.059 3.359
/B P3S 601 NE /B MN 401 MN -0.060 2.360
/H P3S 601 CE /H GLU 305 OE2 -0.067 3.367
/B P3S 601 OT /B ARG 299 CD -0.069 3.369
/C P3S 601 PA /C ADP 501 PB -0.071 4.271
/G P3S 601 OT /G THR 306 CG2 -0.071 3.371
/F P3S 601 N /F HOH 712 O -0.073 2.773
/J P3S 601 CG /J GLU 305 CB -0.073 3.833
/F P3S 601 CE /J ASP 63 OD2 -0.074 3.374
/E P3S 601 OT /E THR 306 CG2 -0.075 3.375
/D P3S 601 O2A /D MN 402 MN -0.075 2.155
/F P3S 601 OE /F GLU 305 CD -0.075 3.375
/C P3S 601 CB /C HIS 253 NE2 -0.076 3.596
/G P3S 601 NE /G HIS 253 CE1 -0.076 3.476
/I P3S 601 PA /I ARG 319 NH1 -0.076 3.816
/A P3S 601 CG /A GLU 136 OE2 -0.077 3.377
/J P3S 601 O3A /J ADP 501 O1B -0.077 2.917
/H P3S 601 CG /H GLU 136 OE2 -0.077 3.377
/D P3S 601 PA /D MN 401 MN -0.079 2.839
/I P3S 601 CG /I GLU 196 CD -0.081 3.841
/I P3S 601 CE /I TYR 162 CE1 -0.081 3.721
/I P3S 601 PA /I ADP 501 PB -0.081 4.281
/E P3S 601 O3A /E HOH 629 O -0.082 2.602
/G P3S 601 OT /G ARG 299 CD -0.082 3.382
/C P3S 601 CG /C GLU 136 OE2 -0.083 3.383
/B P3S 601 PA /B ADP 501 PB -0.084 4.284
/E P3S 601 N /E GLY 249 O -0.085 2.745
/H P3S 601 O3A /H MN 403 MN -0.085 2.165
/J P3S 601 O3A /J GLU 134 OE1 -0.088 2.928
/H P3S 601 CB /H GLU 136 CD -0.089 3.849
/F P3S 601 CE /F GLU 196 OE2 -0.090 3.390
/E P3S 601 CE /E GLU 305 OE2 -0.090 3.390
/B P3S 601 CB /B GLU 136 CD -0.091 3.851
/I P3S 601 N /I GLY 249 O -0.093 2.753
/J P3S 601 CE /I ASP 63 OD2 -0.093 3.393
/H P3S 601 OT /H ARG 299 CD -0.093 3.393
/G P3S 601 CE /G GLU 305 OE2 -0.094 3.394
/F P3S 601 OE /F ARG 319 CD -0.095 3.395
/D P3S 601 PA /D ADP 501 PB -0.095 4.295
/A P3S 601 CE /A GLU 196 CD -0.096 3.856
/I P3S 601 CG /I GLU 136 OE2 -0.097 3.397
/A P3S 601 PA /A ADP 501 PB -0.097 4.297
/B P3S 601 CA /B GLU 136 OE1 -0.098 3.398
/I P3S 601 CE /I GLU 196 OE2 -0.098 3.398
/B P3S 601 CE /B GLU 196 OE2 -0.100 3.400
/E P3S 601 O /E HIS 253 NE2 -0.101 2.761
/C P3S 601 CB /C ARG 340 NH2 -0.107 3.627
/F P3S 601 CG /F GLU 305 CD -0.107 3.867
/G P3S 601 PA /G ARG 319 NE -0.108 3.848
/C P3S 601 PA /C HOH 740 O -0.109 3.669
/D P3S 601 N /D GLU 136 OE1 -0.109 2.769
/E P3S 601 CB /E HIS 253 CE1 -0.110 3.750
/C P3S 601 O3A /C MN 403 MN -0.111 2.191
/G P3S 601 CG /G GLU 305 CD -0.112 3.872
/I P3S 601 O2A /I ADP 501 PB -0.113 3.633
/H P3S 601 O3A /H GLU 203 OE1 -0.115 2.955
/A P3S 601 CB /A GLU 136 OE1 -0.116 3.416
/G P3S 601 O1A /G ARG 319 CZ -0.116 3.146
/G P3S 601 CG /G GLU 305 OE2 -0.117 3.417
/H P3S 601 CB /H HIS 253 CE1 -0.117 3.757
/D P3S 601 OE /D GLU 305 CD -0.120 3.420
/J P3S 601 OT /J THR 306 CG2 -0.120 3.420
/C P3S 601 OT /C ARG 299 CD -0.122 3.422
/B P3S 601 OT /B HOH 718 O -0.123 2.603
/E P3S 601 O3A /E GLU 203 CD -0.123 3.463
/E P3S 601 CA /E GLU 136 OE1 -0.123 3.423
/G P3S 601 CE /G TYR 162 CE1 -0.124 3.764
/D P3S 601 O3A /D MN 401 MN -0.125 2.205
/I P3S 601 PA /I ARG 319 NE -0.125 3.865
/G P3S 601 O /G HIS 253 NE2 -0.125 2.785
/G P3S 601 O2A /G MN 402 MN -0.126 2.206
/B P3S 601 O1A /B ARG 319 NH1 -0.127 2.787
/D P3S 601 O /D HIS 253 NE2 -0.127 2.787
/H P3S 601 O2A /H HIS 253 CE1 -0.127 3.307
/I P3S 601 CE /I GLU 305 OE2 -0.128 3.428
/C P3S 601 O3A /C GLU 134 OE1 -0.128 2.968
/E P3S 601 O2A /E HIS 253 CE1 -0.128 3.308
/D P3S 601 OT /D ARG 299 CD -0.129 3.429
/G P3S 601 O3A /G GLU 134 OE1 -0.131 2.971
/B P3S 601 PA /B MN 401 MN -0.132 2.892
/F P3S 601 CE /F TYR 162 CE1 -0.132 3.772
/C P3S 601 CB /C GLU 136 OE2 -0.134 3.434
/D P3S 601 O2A /D ADP 501 O3B -0.135 2.975
/D P3S 601 O3A /D GLU 203 OE1 -0.135 2.975
/J P3S 601 PA /J ADP 501 PB -0.136 4.336
/F P3S 601 O2A /F ARG 340 NH1 -0.137 2.797
/J P3S 601 CE /J GLU 305 OE2 -0.137 3.437
/B P3S 601 O3A /B MN 401 MN -0.138 2.258
/G P3S 601 CG /G ASN 248 ND2 -0.142 3.662
/D P3S 601 CG /D HOH 711 O -0.144 3.484
/H P3S 601 O3A /H MN 401 MN -0.144 2.224
/B P3S 601 O3A /B GLU 203 CD -0.145 3.485
/F P3S 601 O /F HIS 253 NE2 -0.145 2.805
/J P3S 601 PA /J ARG 319 NE -0.145 3.885
/G P3S 601 O /G ARG 299 NH1 -0.147 2.807
/A P3S 601 CE /A GLU 196 OE2 -0.147 3.447
/G P3S 601 CE /G VAL 197 CG2 -0.147 3.907
/D P3S 601 O2A /D ADP 501 PB -0.147 3.667
/B P3S 601 OT /B THR 306 CG2 -0.148 3.448
/I P3S 601 OE /I ARG 319 CD -0.148 3.448
/E P3S 601 CE /E TYR 162 CE1 -0.148 3.788
/B P3S 601 O2A /B ADP 501 PB -0.151 3.671
/J P3S 601 O /J HIS 253 NE2 -0.152 2.812
/C P3S 601 O2A /C ADP 501 O2B -0.155 2.995
/E P3S 601 CG /E GLU 305 OE2 -0.156 3.456
/D P3S 601 CB /D HIS 253 NE2 -0.156 3.676
/B P3S 601 CB /B GLU 136 OE2 -0.157 3.457
/G P3S 601 OE /G GLU 305 OE1 -0.158 2.998
/A P3S 601 CE /A GLU 196 OE1 -0.158 3.458
/H P3S 601 CB /H HIS 253 NE2 -0.158 3.678
/D P3S 601 N /D GLY 249 O -0.161 2.821
/F P3S 601 CB /F GLU 136 OE1 -0.165 3.465
/H P3S 601 PA /H ARG 319 NE -0.168 3.908
/I P3S 601 O3A /I MN 401 MN -0.168 2.248
/G P3S 601 O1A /G ARG 319 NH1 -0.169 2.829
/F P3S 601 O3A /F ADP 501 PB -0.169 3.689
/B P3S 601 O2A /B ADP 501 O2B -0.169 3.009
/E P3S 601 O2A /E ADP 501 O3B -0.171 3.011
/E P3S 601 O2A /E ADP 501 O2B -0.172 3.012
/H P3S 601 CA /H GLU 136 OE1 -0.173 3.473
/J P3S 601 O3A /J MN 401 MN -0.173 2.253
/F P3S 601 PA /F MN 401 MN -0.174 2.934
/J P3S 601 CE /J VAL 197 CG2 -0.174 3.934
/A P3S 601 PA /A MN 401 MN -0.176 2.936
/D P3S 601 CE /D TYR 162 CE1 -0.178 3.818
/C P3S 601 OE /C GLU 305 CD -0.178 3.478
/H P3S 601 PA /H ARG 319 NH1 -0.178 3.918
/C P3S 601 PA /C ARG 319 NH1 -0.180 3.920
/D P3S 601 OT /D THR 306 CG2 -0.181 3.481
/D P3S 601 CG /D GLU 136 OE2 -0.182 3.482
/B P3S 601 CE /A ASP 63 OD2 -0.183 3.483
/I P3S 601 NE /I MN 401 MN -0.183 2.483
/C P3S 601 PA /C ARG 319 NE -0.184 3.924
/H P3S 601 O2A /H ADP 501 O3B -0.185 3.025
/E P3S 601 PA /E MN 401 MN -0.185 2.945
/C P3S 601 C /C HIS 253 NE2 -0.186 3.706
/H P3S 601 PA /H MN 401 MN -0.186 2.946
/I P3S 601 CA /I GLU 136 OE1 -0.187 3.487
/E P3S 601 CB /E HIS 253 NE2 -0.187 3.707
/G P3S 601 PA /G MN 401 MN -0.187 2.947
/B P3S 601 CE /B VAL 197 CG2 -0.188 3.948
/H P3S 601 O3A /H ADP 501 O3B -0.188 3.028
/D P3S 601 O3A /D GLU 203 CD -0.190 3.490
/B P3S 601 CB /B GLU 136 OE1 -0.191 3.491
/G P3S 601 CE /F ASP 63 OD2 -0.192 3.492
/J P3S 601 CA /J GLU 136 OE1 -0.193 3.493
/J P3S 601 NE /J MN 401 MN -0.194 2.494
/D P3S 601 O /D ARG 299 NH1 -0.194 2.854
/F P3S 601 CE /F GLU 305 CD -0.195 3.955
/G P3S 601 CA /G GLU 136 OE1 -0.195 3.495
/J P3S 601 PA /J HIS 253 ND1 -0.196 3.936
/G P3S 601 PA /G ADP 501 PB -0.196 4.396
/B P3S 601 OE /B GLU 305 CD -0.196 3.496
/F P3S 601 CA /F HOH 712 O -0.197 3.537
/A P3S 601 PA /A GLU 134 OE1 -0.198 3.718
/H P3S 601 CB /H ARG 340 NH2 -0.198 3.718
/G P3S 601 CA /G GLY 249 O -0.199 3.499
/J P3S 601 OT /J ARG 299 CD -0.200 3.500
/C P3S 601 CA /C GLU 136 OE1 -0.201 3.501
/B P3S 601 PA /B ARG 319 NH1 -0.201 3.941
/J P3S 601 CG /J HOH 714 O -0.202 3.542
/C P3S 601 N /C GLY 249 O -0.202 2.862
/C P3S 601 C /C HOH 704 O -0.203 3.543
/G P3S 601 CB /G HIS 253 CE1 -0.203 3.843
/G P3S 601 O3A /G ADP 501 PB -0.203 3.723
/E P3S 601 CE /D ASP 63 OD2 -0.204 3.504
/J P3S 601 PA /J MN 401 MN -0.206 2.966
/A P3S 601 CE /A TYR 162 CE1 -0.208 3.848
/G P3S 601 CB /G GLU 136 OE2 -0.208 3.508
/C P3S 601 CA /C HOH 704 O -0.208 3.548
/H P3S 601 PA /H HOH 609 O -0.209 3.769
/E P3S 601 NE /E MN 401 MN -0.209 2.509
/I P3S 601 PA /I MN 401 MN -0.210 2.970
/E P3S 601 PA /E ARG 319 NE -0.211 3.951
/G P3S 601 CB /G ARG 340 NH2 -0.211 3.731
/I P3S 601 CA /I ASN 248 ND2 -0.212 3.732
/E P3S 601 O /E ARG 299 NH1 -0.212 2.872
/J P3S 601 CB /J HIS 253 CE1 -0.212 3.852
/E P3S 601 OE /E GLU 305 CD -0.213 3.513
/F P3S 601 OT /F ARG 299 NH1 -0.213 2.873
/C P3S 601 O2A /C HIS 253 CE1 -0.213 3.393
/A P3S 601 CE /A VAL 197 CG2 -0.215 3.975
/I P3S 601 CG /I ASN 248 ND2 -0.215 3.735
/G P3S 601 CE /G GLU 305 CD -0.216 3.976
/F P3S 601 CG /F GLU 136 OE2 -0.218 3.518
/F P3S 601 C /F GLU 136 OE1 -0.218 3.518
/F P3S 601 CA /F GLU 136 CD -0.219 3.979
/I P3S 601 PA /I GLU 134 OE1 -0.219 3.739
/A P3S 601 OT /A THR 306 CG2 -0.220 3.520
/F P3S 601 CG /F ASN 248 ND2 -0.220 3.740
/I P3S 601 O /I ARG 299 NH1 -0.221 2.881
/D P3S 601 PA /D ARG 319 NE -0.222 3.962
/A P3S 601 C /A GLU 136 OE1 -0.222 3.522
/D P3S 601 PA /D GLU 134 OE1 -0.223 3.743
/H P3S 601 O1A /H ARG 319 NE -0.225 2.885
/C P3S 601 O /C ARG 299 NH1 -0.226 2.886
/J P3S 601 O2A /J ADP 501 O3B -0.226 3.066
/C P3S 601 CB /C GLU 136 CD -0.227 3.987
/F P3S 601 PA /F ARG 319 NE -0.228 3.968
/D P3S 601 CG /D GLU 305 OE2 -0.228 3.528
/C P3S 601 PA /C GLU 134 OE1 -0.230 3.750
/H P3S 601 CG /H GLU 305 CD -0.230 3.990
/C P3S 601 OT /C THR 306 CG2 -0.230 3.530
/I P3S 601 O2A /I ADP 501 O3B -0.230 3.070
/J P3S 601 CB /J GLU 136 OE2 -0.231 3.531
/C P3S 601 O3A /C GLU 203 CD -0.233 3.533
/E P3S 601 CB /E GLU 136 CD -0.235 3.995
/E P3S 601 C /E GLU 136 OE1 -0.236 3.536
/E P3S 601 C /E THR 306 CG2 -0.236 3.996
/J P3S 601 OE /J GLU 305 OE1 -0.237 3.077
/F P3S 601 PA /F ARG 319 NH1 -0.237 3.977
/F P3S 601 PA /F ADP 501 PB -0.238 4.438
/D P3S 601 CE /D GLU 305 OE2 -0.240 3.540
/I P3S 601 C /I GLU 136 OE1 -0.240 3.540
/A P3S 601 PA /A ARG 319 NE -0.241 3.981
/C P3S 601 CE /B ASP 63 OD2 -0.241 3.541
/F P3S 601 CG /F GLU 196 OE2 -0.245 3.545
/J P3S 601 O2A /J ADP 501 PB -0.245 3.765
/B P3S 601 PA /B GLU 134 OE1 -0.245 3.765
/G P3S 601 OT /G ARG 299 NH1 -0.247 2.907
/A P3S 601 CB /A HIS 253 NE2 -0.248 3.768
/H P3S 601 CG /H GLU 196 OE2 -0.249 3.549
/G P3S 601 PA /G ARG 319 NH1 -0.249 3.989
/E P3S 601 CB /E ARG 340 NH2 -0.251 3.771
/C P3S 601 O3A /C HOH 740 O -0.251 2.731
/C P3S 601 O3A /C ADP 501 O3B -0.253 3.093
/B P3S 601 O1A /B ARG 319 CZ -0.253 3.283
/B P3S 601 CB /B HIS 253 NE2 -0.253 3.773
/J P3S 601 O2A /J MN 402 MN -0.255 2.335
/E P3S 601 CG /E GLU 136 OE2 -0.255 3.555
/J P3S 601 SD /J GLU 305 CD -0.258 3.908
/C P3S 601 CG /C GLU 196 OE2 -0.259 3.559
/F P3S 601 CB /F HIS 253 CE1 -0.259 3.899
/B P3S 601 CG /B GLU 305 CD -0.262 4.022
/D P3S 601 PA /D HIS 253 ND1 -0.263 4.003
/H P3S 601 NE /H MN 401 MN -0.263 2.563
/D P3S 601 CG /D GLU 196 OE2 -0.264 3.564
/J P3S 601 CB /J ARG 340 NH2 -0.264 3.784
/A P3S 601 O3A /A GLU 203 OE1 -0.265 3.105
/B P3S 601 PA /B ARG 319 NE -0.265 4.005
/I P3S 601 CB /I GLU 136 OE2 -0.266 3.566
/H P3S 601 PA /H GLU 134 OE1 -0.266 3.786
/G P3S 601 C /G THR 306 CG2 -0.266 4.026
/J P3S 601 CE /J GLU 305 CD -0.267 4.027
/B P3S 601 O1A /B ARG 319 NE -0.267 2.927
/J P3S 601 O1A /J ARG 319 NH1 -0.267 2.967
/I P3S 601 OT /I GLY 249 O -0.270 3.110
/C P3S 601 OT /C ARG 299 NH1 -0.274 2.934
/H P3S 601 O1A /H ARG 319 CZ -0.276 3.306
/B P3S 601 O3A /B ADP 501 O3B -0.276 2.756
/C P3S 601 PA /C HIS 253 ND1 -0.279 4.019
/J P3S 601 O3A /J HOH 718 O -0.279 2.759
/H P3S 601 C /H GLU 136 OE1 -0.281 3.581
/E P3S 601 CE /E VAL 197 CG2 -0.282 4.042
/D P3S 601 CB /D GLU 136 OE2 -0.282 3.582
/I P3S 601 CB /I ARG 340 NH2 -0.283 3.803
/C P3S 601 O /C HIS 253 CE1 -0.284 3.464
/E P3S 601 CB /E GLU 136 OE2 -0.285 3.585
/E P3S 601 PA /E ARG 319 NH1 -0.285 4.025
/H P3S 601 O1A /H ARG 319 NH1 -0.287 2.947
/I P3S 601 PA /I HIS 253 ND1 -0.290 4.030
/C P3S 601 PA /C MN 401 MN -0.291 3.051
/F P3S 601 SD /F GLU 305 CD -0.293 3.943
/H P3S 601 O3A /H HOH 608 O -0.293 2.773
/C P3S 601 CG /C GLU 196 CD -0.293 4.053
/G P3S 601 CB /G GLU 136 CD -0.295 4.055
/A P3S 601 CA /A GLU 136 CD -0.295 4.055
/F P3S 601 CG /F GLU 196 CD -0.296 4.056
/F P3S 601 PA /F HIS 253 ND1 -0.296 4.036
/B P3S 601 C /B HIS 253 NE2 -0.297 3.817
/B P3S 601 C /B GLU 136 OE1 -0.298 3.598
/C P3S 601 OT /C HOH 704 O -0.298 2.778
/J P3S 601 PA /J ARG 319 NH1 -0.298 4.038
/E P3S 601 CB /E GLU 136 OE1 -0.300 3.600
/F P3S 601 N /F GLY 249 C -0.301 3.551
/F P3S 601 PA /F ADP 501 O3B -0.303 3.823
/A P3S 601 OE /A ARG 340 NH2 -0.305 2.965
/H P3S 601 O3A /H GLU 203 CD -0.307 3.607
/A P3S 601 O1A /A ARG 319 NH1 -0.307 2.967
/A P3S 601 O2A /A ARG 340 NH1 -0.309 2.969
/B P3S 601 O /B HIS 253 CE1 -0.309 3.489
/D P3S 601 CA /D HOH 711 O -0.310 3.650
/I P3S 601 OE /I GLU 305 CB -0.310 3.610
/I P3S 601 OE /I GLU 305 OE1 -0.310 3.150
/J P3S 601 C /J GLU 136 OE1 -0.311 3.611
/H P3S 601 PA /H HIS 253 ND1 -0.311 4.051
/A P3S 601 NE /A HIS 253 CE1 -0.312 3.712
/H P3S 601 O /H ARG 299 NH1 -0.312 2.972
/A P3S 601 CG /A GLU 196 OE2 -0.312 3.612
/F P3S 601 SD /F GLU 305 OE2 -0.313 3.503
/J P3S 601 CB /J GLU 136 CD -0.313 4.073
/J P3S 601 O /J ARG 299 NH1 -0.313 2.973
/A P3S 601 C /A THR 306 CG2 -0.314 4.074
/I P3S 601 C /I THR 306 CG2 -0.314 4.074
/H P3S 601 SD /H GLU 305 OE2 -0.315 3.505
/G P3S 601 PA /G GLU 134 OE1 -0.315 3.835
/A P3S 601 PA /A ARG 319 NH1 -0.316 4.056
/B P3S 601 CG /B ASN 248 ND2 -0.316 3.836
/A P3S 601 CG /A GLU 196 CD -0.317 4.077
/G P3S 601 SD /G GLU 305 CD -0.318 3.968
/E P3S 601 O1A /E ARG 319 NE -0.319 2.979
/J P3S 601 CB /J HIS 253 NE2 -0.320 3.840
/A P3S 601 O3A /A MN 401 MN -0.320 2.400
/F P3S 601 CE /F VAL 197 CG2 -0.322 4.082
/H P3S 601 CG /H ASN 248 ND2 -0.322 3.842
/A P3S 601 O1A /A ARG 319 NE -0.322 2.982
/I P3S 601 SD /I GLU 305 CD -0.323 3.973
/J P3S 601 CA /J HOH 714 O -0.323 3.663
/I P3S 601 O2A /I HIS 253 CE1 -0.323 3.503
/F P3S 601 PA /F GLU 134 OE1 -0.324 3.844
/B P3S 601 PA /B HIS 253 ND1 -0.324 4.064
/A P3S 601 O3A /A GLU 203 CD -0.325 3.625
/C P3S 601 CE /C TYR 162 CD1 -0.325 3.965
/H P3S 601 C /H HIS 253 NE2 -0.327 3.847
/G P3S 601 CG /G GLU 305 CB -0.328 4.088
/I P3S 601 CG /I GLU 305 CD -0.330 4.090
/H P3S 601 CE /G ASP 63 OD2 -0.330 3.630
/G P3S 601 CB /G HIS 253 NE2 -0.330 3.850
/H P3S 601 CB /H GLU 136 OE1 -0.332 3.632
/A P3S 601 C /A HIS 253 NE2 -0.333 3.853
/I P3S 601 CB /I HIS 253 CE1 -0.334 3.974
/B P3S 601 CG /B GLU 305 CB -0.335 4.095
/A P3S 601 NE /A GLU 196 OE1 -0.337 2.997
/A P3S 601 CB /A ARG 340 NH2 -0.338 3.858
/I P3S 601 O1A /I ARG 319 NH1 -0.338 2.998
/A P3S 601 O /A ARG 299 NH1 -0.340 3.000
/H P3S 601 CG /H GLU 196 CD -0.340 4.100
/D P3S 601 CB /D ARG 340 NH2 -0.342 3.862
/B P3S 601 CG /B GLU 196 CD -0.342 4.102
/I P3S 601 O2A /I MN 402 MN -0.342 2.422
/I P3S 601 CE /H ASP 63 OD2 -0.343 3.643
/A P3S 601 PA /A HIS 253 ND1 -0.343 4.083
/F P3S 601 O /F ARG 299 NH1 -0.343 3.003
/J P3S 601 CE /J TYR 162 CD1 -0.344 3.984
/I P3S 601 SD /I GLU 305 OE2 -0.344 3.534
/I P3S 601 O2A /I ARG 340 NH1 -0.344 3.004
/J P3S 601 O1A /J ARG 319 CZ -0.344 3.414
/J P3S 601 O1A /J ARG 319 NE -0.345 3.045
/E P3S 601 PA /E HIS 253 ND1 -0.346 4.086
/G P3S 601 CG /G GLU 196 OE2 -0.347 3.647
/B P3S 601 O /B ARG 299 NH1 -0.347 3.007
/I P3S 601 CE /I GLU 305 CD -0.348 4.108
/J P3S 601 CA /J GLY 249 O -0.348 3.648
/I P3S 601 PA /I ARG 340 NH1 -0.350 4.090
/B P3S 601 SD /B GLU 305 OE2 -0.351 3.541
/I P3S 601 O3A /I GLU 203 CD -0.352 3.652
/D P3S 601 CG /D GLU 196 CD -0.354 4.114
/A P3S 601 SD /A GLU 305 OE2 -0.354 3.544
/E P3S 601 O1A /E ARG 319 NH1 -0.354 3.014
/C P3S 601 CA /C GLU 136 CD -0.354 4.114
/E P3S 601 PA /E GLU 134 OE1 -0.355 3.875
/H P3S 601 O2A /H GLU 134 OE1 -0.355 3.195
/C P3S 601 O1A /C ARG 319 NH1 -0.355 3.015
/D P3S 601 O1A /D ARG 319 NE -0.355 3.015
/C P3S 601 C /C GLU 136 OE1 -0.356 3.656
/A P3S 601 CA /A HOH 733 O -0.357 3.697
/F P3S 601 C /F THR 306 CG2 -0.357 4.117
/D P3S 601 CB /D GLU 136 CD -0.358 4.118
/D P3S 601 CA /D GLU 136 OE1 -0.358 3.658
/A P3S 601 CG /A GLU 305 CD -0.358 4.118
/A P3S 601 O /A HIS 253 CE1 -0.361 3.541
/H P3S 601 CA /H GLU 136 CD -0.362 4.122
/F P3S 601 O2A /F MN 402 MN -0.362 2.442
/A P3S 601 O1A /A ARG 319 CZ -0.363 3.393
/B P3S 601 CA /B GLY 249 O -0.363 3.663
/B P3S 601 SD /B GLU 196 OE1 -0.364 3.554
/E P3S 601 CG /E GLU 305 CD -0.367 4.127
/I P3S 601 CA /I GLY 249 O -0.367 3.667
/H P3S 601 CE /H GLU 305 CD -0.368 4.128
/J P3S 601 O3A /J GLU 203 CD -0.368 3.668
/I P3S 601 O3A /I GLU 203 OE1 -0.368 3.208
/C P3S 601 O2A /C GLU 134 OE1 -0.370 3.210
/I P3S 601 CB /I GLU 136 CD -0.372 4.132
/J P3S 601 CG /J ASN 248 ND2 -0.372 3.892
/F P3S 601 OE /F ARG 340 NH2 -0.374 3.034
/A P3S 601 O3A /A ADP 501 PB -0.375 3.895
/D P3S 601 C /D THR 306 CG2 -0.375 4.135
/J P3S 601 OT /J ARG 299 NH1 -0.377 3.037
/B P3S 601 OT /B ARG 299 NH1 -0.377 3.037
/E P3S 601 CE /E GLU 305 CD -0.378 4.138
/D P3S 601 CE /C ASP 63 OD2 -0.379 3.679
/I P3S 601 CB /I GLU 305 CB -0.381 4.141
/E P3S 601 O3A /E GLU 203 OE1 -0.381 2.861
/C P3S 601 CE /C GLU 305 OE2 -0.381 3.681
/F P3S 601 CB /F HIS 253 NE2 -0.383 3.903
/E P3S 601 O1A /E ARG 319 CZ -0.385 3.415
/J P3S 601 CG /J GLU 305 CG -0.386 4.146
/I P3S 601 CA /I GLU 136 CD -0.386 4.146
/B P3S 601 CE /B TYR 162 CD1 -0.386 4.026
/A P3S 601 CE /E ASP 63 CG -0.389 4.149
/G P3S 601 O2A /G ADP 501 PB -0.389 3.909
/C P3S 601 O /C HIS 253 CD2 -0.389 3.569
/H P3S 601 SD /H GLU 305 CD -0.390 4.040
/D P3S 601 O1A /D ARG 319 NH1 -0.392 3.052
/B P3S 601 CG /B GLU 136 OE2 -0.393 3.693
/J P3S 601 O3A /J GLU 203 OE1 -0.393 3.233
/C P3S 601 CA /C HOH 730 O -0.394 3.734
/G P3S 601 CA /G GLU 136 CD -0.396 4.156
/A P3S 601 NE /A GLU 196 CD -0.397 3.917
/I P3S 601 O /I HIS 253 NE2 -0.398 3.058
/B P3S 601 O3A /B HOH 744 O -0.398 2.918
/E P3S 601 CG /E GLU 305 CB -0.399 4.159
/B P3S 601 OE /B ARG 319 NE -0.399 3.059
/B P3S 601 CA /B GLU 136 CD -0.399 4.159
/C P3S 601 OE /C ARG 340 NH2 -0.400 3.060
596 contacts
> label @@display
> contacts :ADP makePseudobonds false reveal true log true
Allowed overlap: -0.4
H-bond overlap reduction: 0.4
Ignore contacts between atoms separated by 4 bonds or less
Detect intra-residue contacts: False
Detect intra-molecule contacts: True
647 contacts
atom1 atom2 overlap distance
/G ADP 501 O3B /G P3S 601 O3A 0.390 2.450
/D ADP 501 O3B /D P3S 601 PA 0.364 3.156
/G ADP 501 O2A /G GLU 134 CD 0.353 2.947
/A ADP 501 PA /A GLU 134 CD 0.329 3.651
/C ADP 501 O3B /C P3S 601 PA 0.323 3.197
/F ADP 501 O2A /F GLU 134 CD 0.316 2.984
/I ADP 501 O3B /I P3S 601 PA 0.303 3.217
/C ADP 501 PA /C GLU 134 CD 0.296 3.684
/A ADP 501 O2A /A GLU 134 CD 0.281 3.019
/A ADP 501 O3B /A GLU 134 OE2 0.279 2.561
/H ADP 501 N7 /H TYR 336 CE2 0.270 3.130
/I ADP 501 C4' /I ASN 255 ND2 0.269 3.251
/I ADP 501 N7 /I TYR 336 CE2 0.265 3.135
/C ADP 501 PB /C HOH 736 O 0.252 3.308
/C ADP 501 C4' /C ASN 255 ND2 0.251 3.269
/E ADP 501 O2A /E GLU 134 CD 0.247 3.053
/A ADP 501 PB /A GLU 134 CD 0.246 3.734
/A ADP 501 O1B /A P3S 601 PA 0.245 3.275
/B ADP 501 PA /B GLU 134 CD 0.235 3.745
/C ADP 501 O2A /C GLU 134 CD 0.235 3.065
/E ADP 501 O2B /E GLU 134 OE2 0.233 2.607
/E ADP 501 PA /E GLU 134 CD 0.231 3.749
/I ADP 501 PA /I GLU 134 CD 0.229 3.751
/A ADP 501 O1B /A P3S 601 O3A 0.229 2.611
/B ADP 501 O2A /B GLU 134 CD 0.229 3.071
/J ADP 501 N7 /J TYR 336 CE2 0.228 3.172
/G ADP 501 N7 /G TYR 336 CE2 0.222 3.178
/E ADP 501 O3B /E P3S 601 PA 0.214 3.306
/D ADP 501 PA /C HOH 707 O 0.211 3.349
/J ADP 501 PA /J GLU 134 CD 0.210 3.770
/A ADP 501 O3B /A GLU 134 CD 0.207 3.093
/H ADP 501 C4' /H ASN 255 ND2 0.205 3.315
/D ADP 501 C4' /D ASN 255 ND2 0.204 3.316
/D ADP 501 PA /D GLU 134 CD 0.201 3.779
/E ADP 501 O2B /E GLU 134 CD 0.201 3.099
/C ADP 501 O2B /C GLU 134 CD 0.194 3.106
/F ADP 501 PA /F GLU 134 CD 0.191 3.789
/H ADP 501 PA /H GLU 134 CD 0.190 3.790
/I ADP 501 O3B /I P3S 601 O3A 0.189 2.651
/H ADP 501 O2A /H GLU 134 CD 0.182 3.118
/C ADP 501 PA /C HOH 709 O 0.181 3.379
/C ADP 501 O2B /C GLU 134 OE2 0.180 2.660
/H ADP 501 PB /H P3S 601 O2A 0.177 3.343
/C ADP 501 O1A /C HOH 739 O 0.175 2.305
/D ADP 501 O3B /D P3S 601 O3A 0.172 2.668
/B ADP 501 O3B /B P3S 601 PA 0.169 3.351
/E ADP 501 N7 /E TYR 336 CE2 0.164 3.236
/C ADP 501 PB /C GLU 134 CD 0.163 3.817
/G ADP 501 O3B /G MN 403 MN 0.158 1.922
/C ADP 501 O2A /C GLU 134 OE1 0.157 2.683
/G ADP 501 O2A /G GLU 134 CG 0.154 3.146
/G ADP 501 O2B /G GLU 134 OE2 0.149 2.691
/C ADP 501 PB /C GLU 134 OE1 0.147 3.373
/E ADP 501 PA /D HOH 749 O 0.146 3.414
/I ADP 501 O2A /I GLU 134 CD 0.143 3.157
/F ADP 501 O2B /F GLU 134 OE2 0.140 2.700
/I ADP 501 PB /I GLU 134 CD 0.137 3.843
/J ADP 501 C4' /J ASN 255 ND2 0.136 3.384
/G ADP 501 PA /G GLU 134 CD 0.133 3.847
/H ADP 501 O2B /H P3S 601 O2A 0.133 2.707
/J ADP 501 O2A /J GLU 134 CD 0.133 3.167
/H ADP 501 O3B /H P3S 601 PA 0.132 3.388
/I ADP 501 PA /I GLN 205 CG 0.131 3.849
/I ADP 501 C5 /I TYR 336 CD2 0.128 3.242
/E ADP 501 O2A /E GLN 205 CG 0.126 3.174
/G ADP 501 N7 /G TYR 336 CD2 0.125 3.275
/F ADP 501 N1 /F SER 257 CB 0.122 3.398
/D ADP 501 PA /D GLN 205 CG 0.120 3.860
/A ADP 501 PA /A HOH 731 O 0.118 3.442
/A ADP 501 PB /A HOH 730 O 0.111 3.449
/A ADP 501 C4' /A ASN 255 ND2 0.108 3.412
/G ADP 501 C5 /G TYR 336 CD2 0.106 3.264
/G ADP 501 O2B /G GLU 134 CD 0.106 3.194
/D ADP 501 O2A /D GLU 134 CD 0.106 3.194
/J ADP 501 C5 /J TYR 336 CD2 0.105 3.265
/I ADP 501 N7 /I TYR 336 CD2 0.105 3.295
/H ADP 501 C5 /H TYR 336 CD2 0.103 3.267
/F ADP 501 C4' /F ASN 255 ND2 0.102 3.418
/E ADP 501 PB /E P3S 601 O2A 0.098 3.422
/C ADP 501 PB /C P3S 601 O2A 0.098 3.422
/E ADP 501 C5 /E TYR 336 CD2 0.096 3.274
/A ADP 501 PB /A GLU 134 OE1 0.093 3.427
/D ADP 501 PB /D GLU 134 CD 0.090 3.890
/I ADP 501 O2A /I GLN 205 CG 0.088 3.212
/I ADP 501 O3B /I MN 403 MN 0.080 2.000
/J ADP 501 O2' /J PRO 208 CD 0.076 3.264
/F ADP 501 O3B /F MN 403 MN 0.075 2.005
/B ADP 501 N7 /B TYR 336 CE2 0.075 3.325
/F ADP 501 PB /F GLU 134 CD 0.073 3.907
/D ADP 501 O3B /D MN 403 MN 0.072 2.008
/B ADP 501 O2B /B GLU 134 OE2 0.069 2.771
/E ADP 501 O2' /E PRO 208 CD 0.068 3.272
/G ADP 501 N1 /G SER 257 OG 0.066 2.634
/C ADP 501 PA /C GLN 205 CG 0.064 3.916
/B ADP 501 O2' /B PRO 208 CD 0.064 3.276
/F ADP 501 O3B /F P3S 601 O3A 0.063 2.777
/A ADP 501 O2A /A GLU 134 OE1 0.062 2.778
/J ADP 501 O1B /J MN 403 MN 0.061 2.019
/H ADP 501 N7 /H TYR 336 CD2 0.060 3.340
/E ADP 501 C4' /E ASN 255 ND2 0.060 3.460
/E ADP 501 N7 /E TYR 336 CD2 0.059 3.341
/A ADP 501 O2A /A MN 403 MN 0.056 2.024
/D ADP 501 N7 /D TYR 336 CE2 0.052 3.348
/E ADP 501 O3B /E MN 403 MN 0.052 2.028
/B ADP 501 O3B /B MN 403 MN 0.045 2.035
/G ADP 501 C4' /G ASN 255 ND2 0.044 3.476
/C ADP 501 PA /C HOH 739 O 0.043 3.517
/I ADP 501 N1 /I SER 257 CB 0.043 3.477
/E ADP 501 PA /E GLN 205 CG 0.042 3.938
/I ADP 501 PB /I HOH 719 O 0.040 3.520
/F ADP 501 PA /F GLN 205 CG 0.039 3.941
/J ADP 501 O3B /J GLU 134 OE2 0.039 2.801
/I ADP 501 O2B /I GLU 134 OE2 0.039 2.801
/E ADP 501 O1A /E HOH 624 O 0.039 2.441
/G ADP 501 O2' /G PRO 208 CD 0.038 3.302
/A ADP 501 PA /A GLN 205 CG 0.038 3.942
/G ADP 501 O3B /G P3S 601 PA 0.035 3.485
/J ADP 501 N6 /J TYR 336 CD2 0.034 3.366
/B ADP 501 PB /B GLU 134 CD 0.034 3.946
/E ADP 501 PB /E GLU 134 CD 0.032 3.948
/D ADP 501 O2A /D GLN 205 CG 0.032 3.268
/E ADP 501 PA /E HOH 624 O 0.029 3.531
/J ADP 501 N7 /J TYR 336 CD2 0.027 3.373
/C ADP 501 O2B /C HOH 736 O 0.025 2.455
/J ADP 501 C6 /J TYR 336 CD2 0.025 3.345
/J ADP 501 N1 /J SER 257 CB 0.023 3.497
/B ADP 501 PB /B HOH 742 O 0.022 3.538
/B ADP 501 O2B /B GLU 134 CD 0.021 3.279
/I ADP 501 O2' /I PRO 208 CD 0.016 3.324
/F ADP 501 O2B /F GLU 134 CD 0.014 3.286
/A ADP 501 O2' /A PRO 208 CD 0.014 3.326
/B ADP 501 O2B /B MN 402 MN 0.010 2.070
/H ADP 501 PA /H GLN 205 CG 0.010 3.970
/D ADP 501 O3B /D GLU 134 OE1 0.009 2.831
/D ADP 501 N1 /D SER 257 CB 0.008 3.512
/J ADP 501 PB /J ARG 324 NH1 0.008 3.732
/F ADP 501 N1 /F SER 257 OG 0.007 2.693
/A ADP 501 O1B /A MN 403 MN 0.006 2.074
/E ADP 501 PB /E HOH 628 O 0.005 3.555
/C ADP 501 O3B /C P3S 601 O2A 0.005 2.835
/E ADP 501 N1 /E SER 257 CB 0.004 3.516
/A ADP 501 N6 /A ARG 262 CD -0.001 3.521
/G ADP 501 N1 /G SER 257 CB -0.003 3.523
/B ADP 501 C4' /B ASN 255 ND2 -0.004 3.524
/G ADP 501 PA /G GLN 205 CG -0.008 3.988
/C ADP 501 N7 /C TYR 336 CE2 -0.009 3.409
/B ADP 501 PA /A HOH 732 O -0.009 3.569
/E ADP 501 O2A /E GLU 134 CG -0.010 3.310
/J ADP 501 O1B /J P3S 601 PA -0.010 3.530
/B ADP 501 N7 /B TYR 336 CD2 -0.010 3.410
/E ADP 501 C8 /E TYR 336 CE2 -0.010 3.530
/B ADP 501 C5 /B TYR 336 CD2 -0.011 3.381
/A ADP 501 O3B /A MN 402 MN -0.012 2.092
/I ADP 501 O2B /I HOH 719 O -0.012 2.492
/I ADP 501 C6 /I TYR 336 CD2 -0.014 3.384
/C ADP 501 O2A /C GLN 205 CG -0.014 3.314
/E ADP 501 O2B /E MN 402 MN -0.017 2.097
/I ADP 501 N6 /I TYR 336 CD2 -0.018 3.418
/D ADP 501 C5 /D TYR 336 CD2 -0.019 3.389
/C ADP 501 C5 /C TYR 336 CD2 -0.023 3.393
/C ADP 501 O2B /C GLU 338 OE2 -0.024 2.864
/G ADP 501 PB /G GLU 134 CD -0.024 4.004
/H ADP 501 O2A /H GLN 205 CG -0.028 3.328
/H ADP 501 O2B /H GLU 134 OE2 -0.029 2.869
/D ADP 501 O4' /D ASN 255 CB -0.032 3.372
/H ADP 501 C8 /H TYR 336 CE2 -0.033 3.553
/A ADP 501 N1 /A SER 257 CB -0.034 3.554
/H ADP 501 PB /H P3S 601 PA -0.035 4.235
/I ADP 501 O5' /I GLU 134 CD -0.036 3.376
/D ADP 501 PB /D GLU 134 OE1 -0.037 3.557
/A ADP 501 O3B /A GLU 338 OE2 -0.038 2.878
/A ADP 501 O2A /A GLU 134 CG -0.039 3.339
/B ADP 501 O2A /B MN 403 MN -0.040 2.120
/C ADP 501 O2A /C GLU 134 CG -0.042 3.342
/F ADP 501 O2B /F MN 402 MN -0.042 2.122
/C ADP 501 O2B /C MN 402 MN -0.045 2.125
/A ADP 501 PB /A GLU 134 OE2 -0.045 3.565
/I ADP 501 PB /I ARG 324 NH1 -0.046 3.786
/H ADP 501 C6 /H TYR 336 CD2 -0.047 3.417
/G ADP 501 O3' /G GLN 205 CB -0.050 3.390
/I ADP 501 N1 /I TYR 336 CB -0.050 3.570
/B ADP 501 O2A /B GLU 134 CG -0.050 3.350
/I ADP 501 C8 /I TYR 336 CE2 -0.051 3.571
/F ADP 501 O2A /F GLU 134 CG -0.052 3.352
/G ADP 501 C8 /G TYR 336 CE2 -0.052 3.572
/D ADP 501 O2A /D GLU 134 OE1 -0.052 2.892
/I ADP 501 O4' /I ASN 255 CB -0.054 3.394
/C ADP 501 PA /C GLU 134 CG -0.055 4.035
/J ADP 501 O2A /J GLN 205 CG -0.056 3.356
/E ADP 501 O2A /E GLU 134 OE1 -0.057 2.897
/D ADP 501 O2B /D GLU 134 OE2 -0.057 2.897
/F ADP 501 N1 /F TYR 336 CB -0.058 3.578
/E ADP 501 PB /E P3S 601 PA -0.058 4.258
/G ADP 501 O2A /G GLN 205 CG -0.059 3.359
/D ADP 501 O2A /D MN 403 MN -0.060 2.140
/A ADP 501 PA /A GLU 134 CG -0.060 4.040
/F ADP 501 O2A /F GLN 205 CG -0.060 3.360
/J ADP 501 O3' /J GLY 132 CA -0.063 3.403
/A ADP 501 O2A /A GLU 203 OE2 -0.064 2.904
/F ADP 501 PB /F GLU 134 OE2 -0.065 3.585
/A ADP 501 O2A /A GLN 205 CG -0.067 3.367
/I ADP 501 O3B /I GLU 134 OE1 -0.069 2.909
/F ADP 501 O2A /F GLU 134 OE1 -0.071 2.911
/B ADP 501 O2B /B GLU 338 OE2 -0.071 2.911
/C ADP 501 PB /C P3S 601 PA -0.071 4.271
/A ADP 501 O3B /A HOH 730 O -0.074 2.554
/H ADP 501 N6 /H TYR 336 CD2 -0.075 3.475
/I ADP 501 O2' /I PRO 208 CG -0.075 3.415
/A ADP 501 N7 /A TYR 336 CE2 -0.077 3.477
/J ADP 501 O1B /J P3S 601 O3A -0.077 2.917
/D ADP 501 C1' /D GLY 132 CA -0.078 3.838
/J ADP 501 O3B /J MN 402 MN -0.079 2.159
/D ADP 501 O2A /D GLU 203 OE2 -0.079 2.919
/B ADP 501 PB /B ARG 324 NH1 -0.079 3.819
/G ADP 501 C6 /G TYR 336 CD2 -0.080 3.450
/B ADP 501 PA /B GLN 205 CG -0.080 4.060
/D ADP 501 N1 /D TYR 336 CB -0.081 3.601
/I ADP 501 PB /I P3S 601 PA -0.081 4.281
/I ADP 501 PB /I GLU 134 OE1 -0.082 3.602
/B ADP 501 PB /B P3S 601 PA -0.084 4.284
/I ADP 501 C6 /I TYR 336 CB -0.085 3.575
/I ADP 501 PB /I GLU 134 OE2 -0.085 3.605
/F ADP 501 O4' /F ASN 255 CB -0.087 3.427
/B ADP 501 O2A /B GLU 134 OE1 -0.087 2.927
/G ADP 501 C6 /G TYR 336 CB -0.089 3.579
/I ADP 501 O2A /I GLU 134 CG -0.092 3.392
/J ADP 501 N1 /J TYR 336 CB -0.092 3.612
/D ADP 501 N7 /D TYR 336 CD2 -0.093 3.493
/A ADP 501 N7 /A TYR 336 CD2 -0.094 3.494
/D ADP 501 PB /D P3S 601 PA -0.095 4.295
/E ADP 501 O5' /E GLU 134 CD -0.095 3.435
/A ADP 501 PB /A P3S 601 PA -0.097 4.297
/J ADP 501 PB /J GLU 134 CD -0.098 4.078
/G ADP 501 N6 /G TYR 336 CD2 -0.098 3.498
/C ADP 501 PB /C ARG 324 NH1 -0.100 3.840
/C ADP 501 PA /C GLU 134 OE1 -0.100 3.620
/F ADP 501 C5 /F TYR 336 CD2 -0.102 3.472
/H ADP 501 PB /H GLU 134 CD -0.103 4.083
/C ADP 501 N3 /C ASN 255 CB -0.104 3.624
/B ADP 501 O3' /B GLY 132 CA -0.104 3.444
/E ADP 501 C6 /E TYR 336 CD2 -0.105 3.475
/F ADP 501 PB /F HOH 718 O -0.106 3.666
/D ADP 501 O2B /D GLU 338 OE2 -0.106 2.946
/J ADP 501 C8 /J TYR 336 CE2 -0.109 3.629
/J ADP 501 C4 /J PRO 208 CG -0.110 3.600
/F ADP 501 C5' /F ASN 255 ND2 -0.110 3.630
/B ADP 501 PA /B GLU 134 CG -0.111 4.091
/C ADP 501 N7 /C TYR 336 CD2 -0.112 3.512
/H ADP 501 O2A /H GLU 134 CG -0.112 3.412
/I ADP 501 PA /I GLU 134 CG -0.112 4.092
/I ADP 501 PB /I P3S 601 O2A -0.113 3.633
/A ADP 501 C5 /A TYR 336 CD2 -0.114 3.484
/C ADP 501 O4' /C ASN 255 CB -0.115 3.455
/G ADP 501 O4' /G ASN 255 CB -0.115 3.455
/F ADP 501 O3B /F HOH 717 O -0.115 2.595
/H ADP 501 O2' /H PRO 208 CD -0.118 3.458
/I ADP 501 O5' /I GLU 134 CG -0.118 3.458
/C ADP 501 O2' /C PRO 208 CD -0.119 3.459
/J ADP 501 O5' /J GLU 134 CD -0.121 3.461
/G ADP 501 N1 /G TYR 336 CB -0.122 3.642
/B ADP 501 C8 /B TYR 336 CE2 -0.123 3.643
/J ADP 501 O3B /J GLU 134 CD -0.124 3.424
/F ADP 501 C1' /F GLY 132 CA -0.125 3.885
/D ADP 501 O5' /D GLU 134 CD -0.125 3.465
/C ADP 501 N1 /C SER 257 CB -0.127 3.647
/G ADP 501 O2B /G MN 402 MN -0.129 2.209
/J ADP 501 N9 /J PRO 208 CG -0.129 3.649
/G ADP 501 O2A /G GLU 134 OE1 -0.129 2.969
/E ADP 501 PB /E GLU 134 OE1 -0.130 3.650
/C ADP 501 O2A /C MN 403 MN -0.130 2.210
/J ADP 501 PA /J GLN 205 CG -0.132 4.112
/G ADP 501 PA /G GLU 134 CG -0.132 4.112
/F ADP 501 O2A /F MN 403 MN -0.133 2.213
/D ADP 501 O3B /D P3S 601 O2A -0.135 2.975
/C ADP 501 O2B /C GLU 134 OE1 -0.136 2.976
/J ADP 501 PB /J P3S 601 PA -0.136 4.336
/J ADP 501 C6 /J TYR 336 CB -0.137 3.627
/J ADP 501 O2' /J ALA 191 CB -0.138 3.478
/A ADP 501 C1' /A GLY 132 CA -0.138 3.898
/B ADP 501 O2A /B GLN 205 CG -0.140 3.440
/I ADP 501 O2B /I GLU 134 CD -0.142 3.442
/C ADP 501 N1 /C SER 257 OG -0.143 2.843
/H ADP 501 C5' /H ASN 255 ND2 -0.144 3.664
/C ADP 501 C8 /C TYR 336 CE2 -0.145 3.665
/C ADP 501 O5' /C GLU 134 CG -0.146 3.486
/G ADP 501 O2A /G MN 403 MN -0.147 2.227
/F ADP 501 N7 /F TYR 336 CE2 -0.147 3.547
/D ADP 501 PB /D P3S 601 O2A -0.147 3.667
/H ADP 501 PB /H ARG 324 NH1 -0.149 3.889
/C ADP 501 O3B /C GLU 134 OE1 -0.149 2.989
/B ADP 501 PB /B P3S 601 O2A -0.151 3.671
/E ADP 501 PA /E GLU 134 CG -0.153 4.133
/G ADP 501 C3' /G GLN 205 CB -0.153 3.913
/E ADP 501 O3' /E GLY 132 CA -0.153 3.493
/D ADP 501 PB /D ARG 324 NH1 -0.155 3.895
/C ADP 501 O2B /C P3S 601 O2A -0.155 2.995
/B ADP 501 PB /B GLU 134 OE1 -0.155 3.675
/B ADP 501 O2A /B GLU 203 OE2 -0.157 2.997
/I ADP 501 C5' /I ASN 255 ND2 -0.158 3.678
/C ADP 501 O5' /C GLU 134 CD -0.158 3.498
/D ADP 501 C6 /D TYR 336 CD2 -0.161 3.531
/H ADP 501 C5 /H TYR 336 CE2 -0.162 3.532
/F ADP 501 O2B /F GLU 338 OE2 -0.162 3.002
/A ADP 501 O3B /A GLU 134 OE1 -0.164 3.004
/J ADP 501 C5 /J TYR 336 CE2 -0.167 3.537
/I ADP 501 O2A /I MN 403 MN -0.167 2.247
/D ADP 501 O2' /D PRO 208 CD -0.167 3.507
/F ADP 501 O2' /F ALA 191 CB -0.168 3.508
/E ADP 501 PB /E ARG 324 NH1 -0.169 3.909
/H ADP 501 O2A /H MN 403 MN -0.169 2.249
/B ADP 501 C6 /B TYR 336 CB -0.169 3.659
/F ADP 501 PB /F P3S 601 O3A -0.169 3.689
/F ADP 501 C8 /F PRO 208 CG -0.169 3.809
/B ADP 501 O2B /B P3S 601 O2A -0.169 3.009
/H ADP 501 PA /H GLU 134 CG -0.169 4.149
/H ADP 501 O2B /H MN 402 MN -0.171 2.251
/E ADP 501 O3B /E P3S 601 O2A -0.171 3.011
/E ADP 501 O2B /E P3S 601 O2A -0.172 3.012
/E ADP 501 O2A /E GLU 203 OE2 -0.174 3.014
/G ADP 501 C4 /G PRO 208 CG -0.174 3.664
/G ADP 501 N6 /G TYR 336 CB -0.174 3.694
/C ADP 501 N1 /C TYR 336 CB -0.175 3.695
/A ADP 501 O4' /A ASN 255 CB -0.176 3.516
/E ADP 501 C2 /E TRP 130 O -0.176 3.356
/I ADP 501 O3' /I GLY 132 CA -0.176 3.516
/C ADP 501 O3B /C MN 403 MN -0.179 2.259
/I ADP 501 O2B /I MN 402 MN -0.179 2.259
/H ADP 501 O3B /H MN 403 MN -0.182 2.262
/D ADP 501 N6 /D ARG 262 CD -0.184 3.704
/J ADP 501 O2B /J ARG 324 NH2 -0.184 2.844
/H ADP 501 O3B /H P3S 601 O2A -0.185 3.025
/D ADP 501 O5' /D GLU 134 CG -0.185 3.525
/D ADP 501 O2A /D GLN 205 CD -0.186 3.216
/D ADP 501 PA /D GLU 134 CG -0.186 4.166
/H ADP 501 O2A /H GLU 203 OE2 -0.187 3.027
/D ADP 501 O2B /D GLU 134 CD -0.187 3.487
/J ADP 501 C1' /J GLY 132 CA -0.188 3.948
/H ADP 501 O3B /H P3S 601 O3A -0.188 3.028
/B ADP 501 N1 /B TYR 336 CB -0.189 3.709
/D ADP 501 O2B /D MN 402 MN -0.189 2.269
/D ADP 501 C5' /D ASN 255 ND2 -0.190 3.710
/F ADP 501 N9 /F PRO 208 CG -0.190 3.710
/I ADP 501 O2B /I GLU 338 OE2 -0.192 3.032
/C ADP 501 O2A /C GLU 203 OE2 -0.192 3.032
/H ADP 501 O2' /H ALA 191 CB -0.194 3.534
/F ADP 501 PA /F GLU 134 CG -0.194 4.174
/E ADP 501 C1' /E GLY 132 CA -0.195 3.955
/G ADP 501 PB /G P3S 601 PA -0.196 4.396
/H ADP 501 N1 /H TYR 336 CB -0.196 3.716
/E ADP 501 O5' /E GLU 134 CG -0.197 3.537
/H ADP 501 O2A /H GLU 134 OE1 -0.197 3.037
/G ADP 501 O2A /G GLU 203 OE2 -0.197 3.037
/I ADP 501 O2A /I GLN 205 CD -0.198 3.228
/A ADP 501 PB /A ARG 324 NH1 -0.198 3.938
/C ADP 501 O3' /C GLY 132 CA -0.198 3.538
/I ADP 501 C5 /I TYR 336 CE2 -0.198 3.568
/A ADP 501 O1B /A GLU 134 OE1 -0.199 3.039
/H ADP 501 O3B /H HOH 608 O -0.200 2.680
/H ADP 501 C6 /H TYR 336 CB -0.200 3.690
/E ADP 501 N6 /E TYR 336 CD2 -0.201 3.601
/I ADP 501 N6 /I ARG 262 CD -0.201 3.721
/A ADP 501 N1 /A TYR 336 CB -0.203 3.723
/F ADP 501 PB /F GLU 134 OE1 -0.203 3.723
/H ADP 501 O2B /H GLU 134 CD -0.203 3.503
/G ADP 501 PB /G P3S 601 O3A -0.203 3.723
/I ADP 501 O2A /I GLU 134 OE1 -0.204 3.044
/E ADP 501 O2A /E MN 403 MN -0.204 2.284
/D ADP 501 PB /D GLU 134 OE2 -0.205 3.725
/D ADP 501 C8 /D TYR 336 CE2 -0.206 3.726
/H ADP 501 N1 /H SER 257 OG -0.206 2.906
/G ADP 501 O2' /G ALA 191 CB -0.206 3.546
/I ADP 501 N1 /I SER 257 OG -0.206 2.906
/J ADP 501 O2A /J GLU 134 CG -0.208 3.508
/C ADP 501 C6 /C SER 257 OG -0.208 3.278
/B ADP 501 N1 /B SER 257 CB -0.208 3.728
/E ADP 501 N1 /E TRP 130 CB -0.209 3.729
/C ADP 501 N6 /C ARG 262 CD -0.210 3.730
/E ADP 501 N1 /E TYR 336 CB -0.211 3.731
/A ADP 501 C2 /A TRP 130 O -0.211 3.391
/A ADP 501 C8 /A TYR 336 CE2 -0.213 3.733
/A ADP 501 N3 /A ASN 255 CB -0.215 3.735
/F ADP 501 C4 /F PRO 208 CG -0.215 3.705
/C ADP 501 N6 /C SER 257 OG -0.216 2.916
/H ADP 501 PB /H ARG 319 NH1 -0.216 3.956
/B ADP 501 N1 /B SER 257 OG -0.217 2.917
/D ADP 501 N1 /D SER 257 OG -0.218 2.918
/E ADP 501 N3 /E ASN 255 CB -0.219 3.739
/J ADP 501 N6 /J TYR 336 CB -0.221 3.741
/F ADP 501 C6 /F TYR 336 CD2 -0.222 3.592
/A ADP 501 N1 /A SER 257 OG -0.222 2.922
/E ADP 501 O2B /E GLU 134 OE1 -0.223 3.063
/D ADP 501 C6 /D TYR 336 CB -0.223 3.713
/E ADP 501 O4' /E ASN 255 CB -0.223 3.563
/J ADP 501 N6 /J SER 257 CB -0.224 3.744
/J ADP 501 N1 /J SER 257 OG -0.224 2.924
/E ADP 501 O2' /E PRO 208 CG -0.225 3.565
/J ADP 501 PB /J GLU 134 OE2 -0.225 3.745
/J ADP 501 O4' /J ASN 255 CB -0.225 3.565
/E ADP 501 N6 /E ARG 262 CD -0.226 3.746
/J ADP 501 PA /J GLU 134 CG -0.226 4.206
/J ADP 501 O3B /J P3S 601 O2A -0.226 3.066
/I ADP 501 PA /I HOH 718 O -0.227 3.787
/J ADP 501 O1B /J HOH 717 O -0.227 2.707
/F ADP 501 N7 /F TYR 336 CD2 -0.227 3.627
/G ADP 501 C1' /G GLY 132 CA -0.227 3.987
/E ADP 501 PB /E ARG 319 NH1 -0.228 3.968
/D ADP 501 O2A /D GLU 134 CG -0.229 3.529
/A ADP 501 PA /A GLU 134 OE1 -0.230 3.750
/I ADP 501 O3B /I P3S 601 O2A -0.230 3.070
/J ADP 501 N3 /J ASN 255 CB -0.231 3.751
/B ADP 501 O1B /B ARG 324 NH2 -0.232 2.892
/I ADP 501 N6 /I TYR 336 CB -0.237 3.757
/F ADP 501 C6 /F TYR 336 CB -0.237 3.727
/F ADP 501 PB /F P3S 601 PA -0.238 4.438
/F ADP 501 N3 /F ASN 255 CB -0.239 3.759
/I ADP 501 O2B /I GLU 338 CD -0.239 3.539
/I ADP 501 C1' /I GLY 132 CA -0.239 3.999
/F ADP 501 N6 /F SER 257 CB -0.239 3.759
/H ADP 501 O5' /H GLU 134 CG -0.240 3.580
/G ADP 501 N9 /G PRO 208 CG -0.241 3.761
/B ADP 501 O2' /B GLY 207 C -0.241 3.311
/G ADP 501 N6 /G ARG 262 CD -0.241 3.761
/F ADP 501 C6 /F SER 257 OG -0.242 3.312
/C ADP 501 C6 /C TYR 336 CD2 -0.243 3.613
/F ADP 501 O2' /F PRO 208 CD -0.244 3.584
/J ADP 501 PB /J P3S 601 O2A -0.245 3.765
/G ADP 501 C6 /G SER 257 OG -0.245 3.315
/B ADP 501 PB /B GLU 134 OE2 -0.245 3.765
/B ADP 501 C6 /B TYR 336 CD2 -0.246 3.616
/I ADP 501 N3 /I ASN 255 CB -0.247 3.767
/D ADP 501 N6 /D TYR 336 CD2 -0.249 3.649
/J ADP 501 O2A /J MN 403 MN -0.250 2.330
/D ADP 501 PA /D GLN 205 CD -0.250 3.960
/H ADP 501 PB /H GLU 134 OE2 -0.251 3.771
/H ADP 501 O4' /H ASN 255 CB -0.251 3.591
/J ADP 501 O5' /J GLU 134 CG -0.251 3.591
/A ADP 501 C6 /A TYR 336 CB -0.252 3.742
/I ADP 501 O4' /I ASN 255 CG -0.252 3.322
/C ADP 501 O3B /C P3S 601 O3A -0.253 3.093
/J ADP 501 O2A /J GLU 134 OE1 -0.254 3.094
/B ADP 501 O5' /B GLU 134 CG -0.254 3.594
/B ADP 501 O2B /B HOH 742 O -0.255 2.735
/H ADP 501 C4 /H PRO 208 CG -0.256 3.746
/C ADP 501 C5' /C ASN 255 ND2 -0.257 3.777
/C ADP 501 O3A /C GLU 134 CD -0.257 3.597
/G ADP 501 PB /G ARG 324 NH1 -0.257 3.997
/G ADP 501 PB /G GLU 134 OE1 -0.259 3.779
/B ADP 501 PB /B ARG 324 NH2 -0.260 4.000
/C ADP 501 PB /C GLU 134 OE2 -0.260 3.780
/B ADP 501 N3 /B ASN 255 CB -0.260 3.780
/J ADP 501 C3' /J GLN 205 CB -0.261 4.021
/E ADP 501 C6 /E TYR 336 CB -0.264 3.754
/D ADP 501 O3' /D GLY 132 CA -0.266 3.606
/G ADP 501 C2 /G TRP 130 CB -0.266 3.906
/G ADP 501 C5 /G TYR 336 CE2 -0.267 3.637
/F ADP 501 O5' /F GLU 134 CD -0.268 3.608
/I ADP 501 C4 /I PRO 208 CG -0.268 3.758
/I ADP 501 N9 /I PRO 208 CG -0.269 3.789
/H ADP 501 O5' /H GLU 134 CD -0.270 3.610
/D ADP 501 O3' /D GLN 205 CB -0.270 3.610
/I ADP 501 O2A /I HOH 718 O -0.271 2.751
/G ADP 501 O5' /G GLU 134 CD -0.271 3.611
/J ADP 501 C2 /J TRP 130 O -0.271 3.451
/C ADP 501 C1' /C GLY 132 CA -0.271 4.031
/E ADP 501 O2B /E HOH 628 O -0.273 2.753
/F ADP 501 O5' /F GLU 134 CG -0.273 3.613
/I ADP 501 O2' /I GLY 207 C -0.274 3.344
/E ADP 501 PB /E GLU 134 OE2 -0.275 3.795
/A ADP 501 O5' /A GLU 134 CG -0.275 3.615
/B ADP 501 O3B /B P3S 601 O3A -0.276 2.756
/D ADP 501 N3 /D ASN 255 CB -0.277 3.797
/E ADP 501 C4 /E PRO 208 CG -0.277 3.767
/B ADP 501 N6 /B ARG 262 CD -0.279 3.799
/H ADP 501 N6 /H TYR 336 CB -0.280 3.800
/J ADP 501 C8 /J PRO 208 CG -0.281 3.921
/I ADP 501 O2A /I GLU 203 OE2 -0.283 3.123
/E ADP 501 C5 /E TYR 336 CE2 -0.283 3.653
/A ADP 501 O1A /A HOH 731 O -0.283 2.763
/D ADP 501 O2B /D GLU 338 CD -0.284 3.584
/D ADP 501 C3' /D GLN 205 CB -0.284 4.044
/C ADP 501 O4' /C ASN 255 CG -0.286 3.356
/J ADP 501 PB /J ARG 324 NH2 -0.286 4.026
/A ADP 501 O5' /A GLN 205 CG -0.287 3.627
/B ADP 501 C4 /B PRO 208 CG -0.288 3.778
/G ADP 501 N1 /G TRP 130 CB -0.288 3.808
/D ADP 501 PA /D GLU 134 OE1 -0.288 3.808
/A ADP 501 O3' /A GLY 132 CA -0.291 3.631
/A ADP 501 O2B /A ARG 324 NH2 -0.291 2.951
/H ADP 501 O3' /H GLY 132 CA -0.292 3.632
/C ADP 501 C6 /C TYR 336 CB -0.293 3.783
/J ADP 501 PB /J ARG 319 NH1 -0.294 4.034
/C ADP 501 O2B /C GLU 338 CD -0.295 3.595
/I ADP 501 O3B /I GLU 134 CD -0.295 3.595
/H ADP 501 N1 /H SER 257 CB -0.295 3.815
/I ADP 501 N6 /I SER 257 CB -0.295 3.815
/I ADP 501 C3' /I GLN 205 CB -0.297 4.057
/A ADP 501 O3' /A GLN 205 CB -0.299 3.639
/A ADP 501 N1 /A TRP 130 CB -0.300 3.820
/C ADP 501 N6 /C SER 257 CB -0.300 3.820
/G ADP 501 O3' /G GLY 132 CA -0.302 3.642
/B ADP 501 N6 /B TYR 336 CD2 -0.302 3.702
/E ADP 501 O2' /E GLY 207 C -0.302 3.372
/F ADP 501 O3B /F P3S 601 PA -0.303 3.823
/D ADP 501 O4' /D ASN 255 CG -0.307 3.377
/C ADP 501 O1A /C HOH 709 O -0.308 2.788
/D ADP 501 O1A /C HOH 707 O -0.310 2.790
/D ADP 501 O3B /D GLU 134 CD -0.310 3.610
/A ADP 501 N6 /A SER 257 CB -0.310 3.830
/I ADP 501 PA /I GLN 205 CD -0.312 4.022
/B ADP 501 PB /B ARG 319 NH1 -0.313 4.053
/B ADP 501 C2 /B TRP 130 O -0.314 3.494
/J ADP 501 PA /J GLU 134 OE2 -0.314 3.834
/B ADP 501 C3' /B GLN 205 CB -0.314 4.074
/J ADP 501 N3 /J GLY 132 CA -0.315 3.835
/A ADP 501 PB /A ARG 324 NH2 -0.315 4.055
/G ADP 501 N6 /G SER 257 CB -0.315 3.835
/A ADP 501 O3A /A GLU 134 CD -0.316 3.656
/A ADP 501 C4 /A PRO 208 CG -0.316 3.806
/F ADP 501 N6 /F TYR 336 CD2 -0.316 3.716
/G ADP 501 O2' /G GLY 207 C -0.316 3.386
/B ADP 501 N6 /B TYR 336 CB -0.316 3.836
/I ADP 501 O3' /I GLN 205 CB -0.317 3.657
/J ADP 501 O2' /J GLY 207 C -0.318 3.388
/E ADP 501 O2' /E PRO 208 N -0.319 3.419
/A ADP 501 C5' /A ASN 255 ND2 -0.320 3.840
/J ADP 501 O2A /J GLN 205 CD -0.321 3.351
/I ADP 501 PB /I ARG 324 NH2 -0.321 4.061
/G ADP 501 O4' /G ASN 255 CG -0.323 3.393
/J ADP 501 C5' /J ASN 255 ND2 -0.323 3.843
/F ADP 501 O3' /F GLN 205 CB -0.324 3.664
/E ADP 501 N9 /E PRO 208 CG -0.324 3.844
/H ADP 501 N6 /H ARG 262 CD -0.324 3.844
/B ADP 501 O2B /B GLU 338 CD -0.325 3.625
/I ADP 501 C4' /I ASN 255 CG -0.325 3.815
/H ADP 501 C3' /H GLN 205 CB -0.325 4.085
/B ADP 501 O5' /B GLU 134 CD -0.326 3.666
/I ADP 501 O1B /I ARG 324 NH2 -0.326 2.986
/D ADP 501 C5 /D TYR 336 CE2 -0.327 3.697
/B ADP 501 O2B /B ARG 324 NH1 -0.328 2.988
/H ADP 501 PA /H HOH 608 O -0.330 3.890
/F ADP 501 O2A /F GLU 203 OE2 -0.330 3.170
/F ADP 501 C5 /F PRO 208 CG -0.330 3.820
/J ADP 501 O3' /J GLN 205 CB -0.331 3.671
/B ADP 501 O2B /B GLU 134 OE1 -0.331 3.171
/E ADP 501 C5' /E ASN 255 ND2 -0.331 3.851
/E ADP 501 O2A /E GLN 205 CD -0.332 3.362
/E ADP 501 O2B /E GLU 338 OE2 -0.332 3.172
/G ADP 501 O5' /G GLU 134 CG -0.333 3.673
/A ADP 501 O5' /A GLU 134 CD -0.333 3.673
/G ADP 501 C4' /G ASN 255 CG -0.335 3.825
/J ADP 501 O3B /J ARG 324 NH1 -0.335 2.995
/E ADP 501 O1B /E ARG 324 NH2 -0.336 2.996
/B ADP 501 N6 /B SER 257 CB -0.336 3.856
/B ADP 501 C6 /B SER 257 OG -0.337 3.407
/F ADP 501 N6 /F ARG 262 CD -0.337 3.857
/J ADP 501 O2A /J GLU 203 OE2 -0.337 3.177
/J ADP 501 C2 /J PHE 131 CA -0.337 3.977
/C ADP 501 C2 /C TRP 130 O -0.338 3.518
/B ADP 501 N1 /B TRP 130 CB -0.339 3.859
/D ADP 501 PA /D HOH 747 O -0.339 3.899
/E ADP 501 C3' /E GLN 205 CB -0.340 4.100
/A ADP 501 O3B /A GLU 338 CD -0.340 3.640
/A ADP 501 N9 /A PRO 208 CG -0.340 3.860
/E ADP 501 O1A /D HOH 749 O -0.341 2.821
/F ADP 501 PA /F GLU 134 OE2 -0.342 3.862
/G ADP 501 PB /G GLU 134 OE2 -0.343 3.863
/D ADP 501 PB /D ARG 324 NH2 -0.343 4.083
/E ADP 501 C2 /E TRP 130 CB -0.343 3.983
/A ADP 501 C8 /A PRO 208 CG -0.344 3.984
/D ADP 501 O2B /D ARG 324 NH1 -0.345 3.005
/I ADP 501 O2B /I ARG 324 NH1 -0.346 3.006
/C ADP 501 N3 /C GLY 132 CA -0.347 3.867
/I ADP 501 PB /I ARG 319 NH1 -0.347 4.087
/G ADP 501 C2 /G TRP 130 O -0.349 3.529
/D ADP 501 O2' /D GLY 207 C -0.349 3.419
/A ADP 501 N3 /A GLY 132 CA -0.351 3.871
/H ADP 501 C1' /H GLY 132 CA -0.351 4.111
/B ADP 501 C1' /B GLY 132 CA -0.353 4.113
/F ADP 501 C3' /F GLN 205 CB -0.354 4.114
/A ADP 501 PB /A ARG 319 NH1 -0.354 4.094
/F ADP 501 C2 /F PHE 256 CA -0.354 3.994
/D ADP 501 C4' /D ASN 255 CG -0.355 3.845
/J ADP 501 O2' /J PRO 208 CG -0.355 3.695
/A ADP 501 C6 /A TYR 336 CD2 -0.356 3.726
/C ADP 501 C3' /C GLN 205 CB -0.358 4.118
/A ADP 501 C2 /A ASN 255 O -0.359 3.539
/F ADP 501 O2B /F GLU 134 OE1 -0.359 3.199
/G ADP 501 N3 /G ASN 255 CB -0.360 3.880
/H ADP 501 O2A /H GLN 205 CD -0.360 3.390
/F ADP 501 O3' /F GLY 132 CA -0.360 3.700
/E ADP 501 N6 /E SER 257 CB -0.361 3.881
/H ADP 501 O2B /H GLU 338 OE2 -0.361 3.201
/H ADP 501 N9 /H PRO 208 CG -0.363 3.883
/E ADP 501 C2 /E TRP 130 C -0.364 3.734
/J ADP 501 C5 /J PRO 208 CG -0.364 3.854
/A ADP 501 C6 /A SER 257 OG -0.366 3.436
/B ADP 501 N6 /B SER 257 OG -0.366 3.066
/E ADP 501 PA /E GLU 134 OE1 -0.368 3.888
/C ADP 501 N6 /C TRP 130 CE3 -0.368 3.768
/A ADP 501 N6 /A TRP 130 CE3 -0.369 3.769
/D ADP 501 N3 /D GLY 132 CA -0.370 3.890
/A ADP 501 PA /A GLN 205 CD -0.370 4.080
/D ADP 501 O5' /D GLN 205 CG -0.370 3.710
/I ADP 501 O2A /I GLN 205 NE2 -0.371 3.031
/G ADP 501 C5' /G ASN 255 ND2 -0.371 3.891
/D ADP 501 O2' /D PRO 208 N -0.371 3.471
/C ADP 501 C4' /C ASN 255 CG -0.371 3.861
/I ADP 501 O2' /I PRO 208 N -0.373 3.473
/F ADP 501 N7 /F PRO 208 CG -0.373 3.893
/E ADP 501 O4' /E ASN 255 CG -0.373 3.443
/A ADP 501 O2' /A GLY 207 C -0.374 3.444
/A ADP 501 PB /A P3S 601 O3A -0.375 3.895
/B ADP 501 N9 /B PRO 208 CG -0.375 3.895
/J ADP 501 N6 /J ARG 262 CD -0.376 3.896
/H ADP 501 O2A /H HOH 608 O -0.377 2.857
/G ADP 501 O3B /G GLU 134 OE1 -0.377 3.217
/D ADP 501 O2' /D ALA 191 CB -0.377 3.717
/J ADP 501 N1 /J TRP 130 CB -0.377 3.897
/E ADP 501 O3B /E HOH 627 O -0.378 2.858
/E ADP 501 C8 /E PRO 208 CG -0.379 4.019
/B ADP 501 O2' /B PRO 208 N -0.379 3.479
/I ADP 501 C8 /I PRO 208 CG -0.379 4.019
/H ADP 501 O2B /H ARG 324 NH1 -0.381 3.041
/B ADP 501 O2' /B PRO 208 CG -0.381 3.721
/I ADP 501 C6 /I TYR 336 CG -0.382 3.602
/C ADP 501 O2' /C ALA 191 CB -0.382 3.722
/H ADP 501 O3' /H GLN 205 CB -0.382 3.722
/C ADP 501 C5 /C TYR 336 CE2 -0.382 3.752
/G ADP 501 O2B /G GLU 134 OE1 -0.383 3.223
/F ADP 501 C8 /F TYR 336 CE2 -0.383 3.903
/B ADP 501 C5 /B TYR 336 CE2 -0.386 3.756
/J ADP 501 C2 /J GLY 132 N -0.386 3.786
/A ADP 501 C3' /A GLN 205 CB -0.386 4.146
/A ADP 501 O2' /A PRO 208 CG -0.389 3.729
/G ADP 501 PB /G P3S 601 O2A -0.389 3.909
/J ADP 501 C6 /J TYR 336 CG -0.389 3.609
/A ADP 501 O4' /A ASN 255 CG -0.389 3.459
/E ADP 501 N1 /E SER 257 OG -0.390 3.090
/D ADP 501 N6 /D SER 257 CB -0.390 3.910
/B ADP 501 O1A /A HOH 732 O -0.392 2.872
/E ADP 501 O3' /E GLN 205 CB -0.394 3.734
/A ADP 501 O2' /A ALA 191 CB -0.395 3.735
/C ADP 501 C5' /C HOH 739 O -0.396 3.736
/C ADP 501 N1 /C TRP 130 CB -0.398 3.918
/D ADP 501 O1B /D ARG 324 NH2 -0.398 3.058
/B ADP 501 N3 /B GLY 132 CA -0.399 3.919
/A ADP 501 N6 /A ARG 262 CG -0.399 3.919
647 contacts
> label @@display
> label height 1.3
> select clear
> close
> open 2qc8
2qc8 title:
Crystal structure of human glutamine synthetase in complex with ADP and
methionine sulfoximine phosphate [more info...]
Chain information for 2qc8 #1
---
Chain | Description | UniProt
A B C D E F G H I J | Glutamine synthetase | GLNA_HUMAN 5-365
Non-standard residues in 2qc8 #1
---
ADP — adenosine-5'-diphosphate
CL — chloride ion
MN — manganese (II) ion
P3S — L-methionine-S-sulfoximine phosphate
> hide solvent
> style stick
Changed 28837 atom styles
> select :P3S
150 atoms, 140 bonds, 10 residues, 1 model selected
> hide ~sel
> hbonds :P3S reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 2qc8
121 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
/A HIS 253 NE2 /A P3S 601 O no hydrogen 2.681 N/A
/A ARG 299 NH1 /A P3S 601 OT no hydrogen 3.167 N/A
/A ARG 319 NE /A P3S 601 O1A no hydrogen 2.982 N/A
/A ARG 319 NE /A P3S 601 OE no hydrogen 3.242 N/A
/A ARG 319 NH1 /A P3S 601 O1A no hydrogen 2.967 N/A
/A ARG 340 NH1 /A P3S 601 O2A no hydrogen 2.969 N/A
/A ARG 340 NH2 /A P3S 601 OE no hydrogen 2.965 N/A
/A P3S 601 N /A GLU 136 OE1 no hydrogen 2.707 N/A
/A P3S 601 N /A GLU 136 OE2 no hydrogen 3.395 N/A
/A P3S 601 N /A GLY 249 O no hydrogen 2.664 N/A
/A P3S 601 N /A HOH 733 O no hydrogen 2.655 N/A
/B HIS 253 NE2 /B P3S 601 O no hydrogen 2.621 N/A
/B ARG 299 NH1 /B P3S 601 OT no hydrogen 3.037 N/A
/B ARG 319 NE /B P3S 601 O1A no hydrogen 2.927 N/A
/B ARG 319 NE /B P3S 601 OE no hydrogen 3.059 N/A
/B ARG 319 NH1 /B P3S 601 O1A no hydrogen 2.787 N/A
/B ARG 340 NH1 /B P3S 601 O2A no hydrogen 3.220 N/A
/B ARG 340 NH2 /B P3S 601 OE no hydrogen 3.192 N/A
/B P3S 601 N /B GLU 136 OE1 no hydrogen 2.685 N/A
/B P3S 601 N /B GLU 136 OE2 no hydrogen 3.568 N/A
/B P3S 601 N /B GLY 249 O no hydrogen 2.500 N/A
/B HOH 718 O /B P3S 601 OT no hydrogen 2.603 N/A
/B HOH 741 O /B P3S 601 O3A no hydrogen 3.311 N/A
/B HOH 744 O /B P3S 601 O3A no hydrogen 2.918 N/A
/C HIS 253 NE2 /C P3S 601 O no hydrogen 2.561 N/A
/C ARG 299 NH1 /C P3S 601 OT no hydrogen 2.934 N/A
/C ARG 319 NE /C P3S 601 O1A no hydrogen 3.258 N/A
/C ARG 319 NE /C P3S 601 OE no hydrogen 3.250 N/A
/C ARG 319 NH1 /C P3S 601 O1A no hydrogen 3.015 N/A
/C ARG 340 NH1 /C P3S 601 O2A no hydrogen 3.313 N/A
/C ARG 340 NH2 /C P3S 601 OE no hydrogen 3.060 N/A
/C P3S 601 N /C GLU 136 OE1 no hydrogen 2.671 N/A
/C P3S 601 N /C GLU 136 OE2 no hydrogen 3.184 N/A
/C P3S 601 N /C GLY 249 O no hydrogen 2.862 N/A
/C P3S 601 N /C HOH 730 O no hydrogen 2.710 N/A
/C HOH 704 O /C P3S 601 OT no hydrogen 2.778 N/A
/C HOH 740 O /C P3S 601 O3A no hydrogen 2.731 N/A
/D HIS 253 NE2 /D P3S 601 O no hydrogen 2.787 N/A
/D ARG 299 NH1 /D P3S 601 OT no hydrogen 3.081 N/A
/D ARG 319 NE /D P3S 601 O1A no hydrogen 3.015 N/A
/D ARG 319 NE /D P3S 601 OE no hydrogen 3.228 N/A
/D ARG 319 NH1 /D P3S 601 O1A no hydrogen 3.052 N/A
/D ARG 340 NH1 /D P3S 601 O2A no hydrogen 3.204 N/A
/D ARG 340 NH2 /D P3S 601 OE no hydrogen 3.172 N/A
/D P3S 601 N /D GLU 136 OE1 no hydrogen 2.769 N/A
/D P3S 601 N /D GLU 136 OE2 no hydrogen 3.291 N/A
/D P3S 601 N /D GLY 249 O no hydrogen 2.821 N/A
/D P3S 601 N /D HOH 711 O no hydrogen 2.672 N/A
/E HIS 253 NE2 /E P3S 601 O no hydrogen 2.761 N/A
/E ARG 299 NH1 /E P3S 601 OT no hydrogen 3.174 N/A
/E ARG 319 NE /E P3S 601 O1A no hydrogen 2.979 N/A
/E ARG 319 NE /E P3S 601 OE no hydrogen 3.237 N/A
/E ARG 319 NH1 /E P3S 601 O1A no hydrogen 3.014 N/A
/E ARG 340 NH1 /E P3S 601 O2A no hydrogen 3.258 N/A
/E ARG 340 NH2 /E P3S 601 OE no hydrogen 3.174 N/A
/E P3S 601 N /E GLU 136 OE1 no hydrogen 2.644 N/A
/E P3S 601 N /E GLU 136 OE2 no hydrogen 3.463 N/A
/E P3S 601 N /E GLY 249 O no hydrogen 2.745 N/A
/E P3S 601 NE /E HOH 629 O no hydrogen 3.237 N/A
/E P3S 601 O3A /E GLU 134 OE1 no hydrogen 2.958 N/A
/E P3S 601 O3A /E ADP 501 O3B no hydrogen 2.929 N/A
/E HOH 629 O /E P3S 601 O3A no hydrogen 2.602 N/A
/F HIS 253 NE2 /F P3S 601 O no hydrogen 2.805 N/A
/F ARG 299 NH1 /F P3S 601 OT no hydrogen 2.873 N/A
/F ARG 319 NE /F P3S 601 O1A no hydrogen 3.349 N/A
/F ARG 319 NE /F P3S 601 O2A no hydrogen 3.486 N/A
/F ARG 319 NE /F P3S 601 OE no hydrogen 3.321 N/A
/F ARG 319 NH1 /F P3S 601 O1A no hydrogen 3.177 N/A
/F ARG 340 NH1 /F P3S 601 O2A no hydrogen 2.797 N/A
/F ARG 340 NH2 /F P3S 601 OE no hydrogen 3.034 N/A
/F P3S 601 N /F GLU 136 OE1 no hydrogen 2.618 N/A
/F P3S 601 N /F GLU 136 OE2 no hydrogen 3.283 N/A
/F P3S 601 N /F GLY 249 O no hydrogen 2.573 N/A
/F P3S 601 N /F HOH 712 O no hydrogen 2.773 N/A
/F P3S 601 NE /F GLU 136 OE2 no hydrogen 3.229 N/A
/G HIS 253 NE2 /G P3S 601 O no hydrogen 2.785 N/A
/G ARG 299 NH1 /G P3S 601 OT no hydrogen 2.907 N/A
/G ARG 319 NE /G P3S 601 O1A no hydrogen 2.695 N/A
/G ARG 319 NE /G P3S 601 OE no hydrogen 3.178 N/A
/G ARG 319 NH1 /G P3S 601 O1A no hydrogen 2.829 N/A
/G ARG 340 NH1 /G P3S 601 O2A no hydrogen 3.137 N/A
/G ARG 340 NH2 /G P3S 601 OE no hydrogen 3.276 N/A
/G P3S 601 N /G GLU 136 OE1 no hydrogen 2.587 N/A
/G P3S 601 N /G GLU 136 OE2 no hydrogen 3.306 N/A
/G P3S 601 N /G GLY 249 O no hydrogen 2.509 N/A
/H HIS 253 NE2 /H P3S 601 O no hydrogen 2.707 N/A
/H ARG 299 NH1 /H P3S 601 OT no hydrogen 2.708 N/A
/H ARG 319 NE /H P3S 601 O1A no hydrogen 2.885 N/A
/H ARG 319 NE /H P3S 601 OE no hydrogen 3.235 N/A
/H ARG 319 NH1 /H P3S 601 O1A no hydrogen 2.947 N/A
/H ARG 340 NH1 /H P3S 601 O2A no hydrogen 3.511 N/A
/H ARG 340 NH2 /H P3S 601 OE no hydrogen 3.080 N/A
/H P3S 601 N /H GLU 136 OE1 no hydrogen 2.695 N/A
/H P3S 601 N /H GLU 136 OE2 no hydrogen 3.467 N/A
/H P3S 601 N /H GLY 249 O no hydrogen 2.568 N/A
/I HIS 253 NE2 /I P3S 601 O no hydrogen 3.058 N/A
/I ARG 299 NH1 /I P3S 601 OT no hydrogen 3.074 N/A
/I ARG 319 NE /I P3S 601 O1A no hydrogen 3.358 N/A
/I ARG 319 NE /I P3S 601 O2A no hydrogen 3.474 N/A
/I ARG 319 NE /I P3S 601 OE no hydrogen 3.425 N/A
/I ARG 319 NH1 /I P3S 601 O1A no hydrogen 2.998 N/A
/I ARG 319 NH1 /I P3S 601 O2A no hydrogen 3.373 N/A
/I ARG 340 NH1 /I P3S 601 O2A no hydrogen 3.004 N/A
/I ARG 340 NH2 /I P3S 601 OE no hydrogen 3.127 N/A
/I P3S 601 N /I GLU 136 OE1 no hydrogen 2.663 N/A
/I P3S 601 N /I GLU 136 OE2 no hydrogen 3.274 N/A
/I P3S 601 N /I GLY 249 O no hydrogen 2.753 N/A
/J HIS 253 NE2 /J P3S 601 O no hydrogen 2.812 N/A
/J ARG 299 NH1 /J P3S 601 OT no hydrogen 3.037 N/A
/J ARG 319 NE /J P3S 601 O1A no hydrogen 3.045 N/A
/J ARG 319 NE /J P3S 601 OE no hydrogen 3.164 N/A
/J ARG 319 NH1 /J P3S 601 O1A no hydrogen 2.967 N/A
/J ARG 340 NH1 /J P3S 601 O2A no hydrogen 3.191 N/A
/J ARG 340 NH2 /J P3S 601 OE no hydrogen 3.297 N/A
/J P3S 601 N /J GLU 136 OE1 no hydrogen 2.620 N/A
/J P3S 601 N /J GLU 136 OE2 no hydrogen 3.429 N/A
/J P3S 601 N /J GLY 249 O no hydrogen 2.591 N/A
/J P3S 601 N /J HOH 714 O no hydrogen 2.752 N/A
/J P3S 601 NE /J HOH 718 O no hydrogen 3.291 N/A
/J P3S 601 O1A /J P3S 601 OE no hydrogen 3.303 N/A
/J HOH 718 O /J P3S 601 O3A no hydrogen 2.759 N/A
121 hydrogen bonds found
> label @@display
> show sel
> hbonds :ADP reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 2qc8
68 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
/A SER 257 OG /A ADP 501 N1 no hydrogen 2.922 N/A
/A ARG 324 NH1 /A ADP 501 O3B no hydrogen 3.143 N/A
/A ARG 324 NH2 /A ADP 501 O2B no hydrogen 2.951 N/A
/A ADP 501 N6 /A SER 257 OG no hydrogen 3.101 N/A
/A HOH 730 O /A ADP 501 O3B no hydrogen 2.554 N/A
/A HOH 731 O /A ADP 501 O1A no hydrogen 2.763 N/A
/A HOH 732 O /B ADP 501 O1A no hydrogen 2.872 N/A
/B SER 257 OG /B ADP 501 N1 no hydrogen 2.917 N/A
/B ARG 324 NH1 /B ADP 501 O2B no hydrogen 2.988 N/A
/B ARG 324 NH2 /B ADP 501 O1B no hydrogen 2.892 N/A
/B ADP 501 N6 /B SER 257 OG no hydrogen 3.066 N/A
/B HOH 741 O /B ADP 501 O2A no hydrogen 3.223 N/A
/B HOH 741 O /B ADP 501 O3B no hydrogen 3.216 N/A
/B HOH 742 O /B ADP 501 O2B no hydrogen 2.735 N/A
/B HOH 742 O /B ADP 501 O3A no hydrogen 3.334 N/A
/C SER 257 OG /C ADP 501 N1 no hydrogen 2.843 N/A
/C ARG 324 NH1 /C ADP 501 O2B no hydrogen 3.215 N/A
/C ARG 324 NH2 /C ADP 501 O1B no hydrogen 3.241 N/A
/C ADP 501 N6 /C SER 257 OG no hydrogen 2.916 N/A
/C HOH 707 O /D ADP 501 O1A no hydrogen 2.790 N/A
/C HOH 709 O /C ADP 501 O1A no hydrogen 2.788 N/A
/C HOH 736 O /C ADP 501 O2B no hydrogen 2.455 N/A
/C HOH 738 O /C ADP 501 O2A no hydrogen 3.030 N/A
/C HOH 739 O /C ADP 501 O1A no hydrogen 2.305 N/A
/D SER 257 OG /D ADP 501 N1 no hydrogen 2.918 N/A
/D ARG 324 NH1 /D ADP 501 O2B no hydrogen 3.005 N/A
/D ARG 324 NH2 /D ADP 501 O1B no hydrogen 3.058 N/A
/D ADP 501 N6 /D SER 257 OG no hydrogen 3.262 N/A
/D HOH 747 O /D ADP 501 O2A no hydrogen 2.899 N/A
/D HOH 747 O /D ADP 501 O3B no hydrogen 3.367 N/A
/D HOH 749 O /E ADP 501 O1A no hydrogen 2.821 N/A
/E SER 257 OG /E ADP 501 N1 no hydrogen 3.090 N/A
/E ARG 324 NH1 /E ADP 501 O2B no hydrogen 3.406 N/A
/E ARG 324 NH2 /E ADP 501 O1B no hydrogen 2.996 N/A
/E ADP 501 N6 /E SER 257 OG no hydrogen 3.295 N/A
/E P3S 601 O3A /E ADP 501 O3B no hydrogen 2.929 N/A
/E HOH 624 O /E ADP 501 O1A no hydrogen 2.441 N/A
/E HOH 624 O /E ADP 501 O3A no hydrogen 3.426 N/A
/E HOH 627 O /E ADP 501 O3B no hydrogen 2.858 N/A
/E HOH 628 O /E ADP 501 O2B no hydrogen 2.753 N/A
/F SER 257 OG /F ADP 501 N1 no hydrogen 2.693 N/A
/F ARG 324 NH1 /F ADP 501 O2B no hydrogen 3.296 N/A
/F ARG 324 NH2 /F ADP 501 O1B no hydrogen 3.380 N/A
/F ADP 501 N6 /F SER 257 OG no hydrogen 3.130 N/A
/F HOH 717 O /F ADP 501 O3B no hydrogen 2.595 N/A
/F HOH 718 O /F ADP 501 O2B no hydrogen 2.910 N/A
/G SER 257 OG /G ADP 501 N1 no hydrogen 2.634 N/A
/G ARG 324 NH1 /G ADP 501 O1B no hydrogen 3.383 N/A
/G ARG 324 NH1 /G ADP 501 O2B no hydrogen 3.441 N/A
/G ARG 324 NH2 /G ADP 501 O1B no hydrogen 3.130 N/A
/G ADP 501 N6 /G SER 257 OG no hydrogen 3.164 N/A
/H SER 257 OG /H ADP 501 N1 no hydrogen 2.906 N/A
/H ARG 324 NH1 /H ADP 501 O2B no hydrogen 3.041 N/A
/H ARG 324 NH2 /H ADP 501 O1B no hydrogen 3.209 N/A
/H ADP 501 N6 /H SER 257 OG no hydrogen 3.228 N/A
/I SER 257 OG /I ADP 501 N1 no hydrogen 2.906 N/A
/I ARG 324 NH1 /I ADP 501 O2B no hydrogen 3.006 N/A
/I ARG 324 NH2 /I ADP 501 O1B no hydrogen 2.986 N/A
/I ADP 501 N6 /I SER 257 OG no hydrogen 3.204 N/A
/I HOH 718 O /I ADP 501 O2A no hydrogen 2.751 N/A
/I HOH 718 O /I ADP 501 O3B no hydrogen 3.050 N/A
/I HOH 719 O /I ADP 501 O2B no hydrogen 2.492 N/A
/J SER 257 OG /J ADP 501 N1 no hydrogen 2.924 N/A
/J ARG 324 NH1 /J ADP 501 O2B no hydrogen 3.382 N/A
/J ARG 324 NH1 /J ADP 501 O3B no hydrogen 2.995 N/A
/J ARG 324 NH2 /J ADP 501 O2B no hydrogen 2.844 N/A
/J ADP 501 N6 /J SER 257 OG no hydrogen 3.207 N/A
/J HOH 717 O /J ADP 501 O1B no hydrogen 2.707 N/A
68 hydrogen bonds found
> label @@display
> select clear
> save /Users/isabelladibiasio/Desktop/image2.png supersample 3
> close
> open 2qc8
2qc8 title:
Crystal structure of human glutamine synthetase in complex with ADP and
methionine sulfoximine phosphate [more info...]
Chain information for 2qc8 #1
---
Chain | Description | UniProt
A B C D E F G H I J | Glutamine synthetase | GLNA_HUMAN 5-365
Non-standard residues in 2qc8 #1
---
ADP — adenosine-5'-diphosphate
CL — chloride ion
MN — manganese (II) ion
P3S — L-methionine-S-sulfoximine phosphate
> hide solvent
> style stick
Changed 28837 atom styles
> select :P3S
150 atoms, 140 bonds, 10 residues, 1 model selected
> hide ~sel
> hbonds :P3S reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 2qc8
121 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
/A HIS 253 NE2 /A P3S 601 O no hydrogen 2.681 N/A
/A ARG 299 NH1 /A P3S 601 OT no hydrogen 3.167 N/A
/A ARG 319 NE /A P3S 601 O1A no hydrogen 2.982 N/A
/A ARG 319 NE /A P3S 601 OE no hydrogen 3.242 N/A
/A ARG 319 NH1 /A P3S 601 O1A no hydrogen 2.967 N/A
/A ARG 340 NH1 /A P3S 601 O2A no hydrogen 2.969 N/A
/A ARG 340 NH2 /A P3S 601 OE no hydrogen 2.965 N/A
/A P3S 601 N /A GLU 136 OE1 no hydrogen 2.707 N/A
/A P3S 601 N /A GLU 136 OE2 no hydrogen 3.395 N/A
/A P3S 601 N /A GLY 249 O no hydrogen 2.664 N/A
/A P3S 601 N /A HOH 733 O no hydrogen 2.655 N/A
/B HIS 253 NE2 /B P3S 601 O no hydrogen 2.621 N/A
/B ARG 299 NH1 /B P3S 601 OT no hydrogen 3.037 N/A
/B ARG 319 NE /B P3S 601 O1A no hydrogen 2.927 N/A
/B ARG 319 NE /B P3S 601 OE no hydrogen 3.059 N/A
/B ARG 319 NH1 /B P3S 601 O1A no hydrogen 2.787 N/A
/B ARG 340 NH1 /B P3S 601 O2A no hydrogen 3.220 N/A
/B ARG 340 NH2 /B P3S 601 OE no hydrogen 3.192 N/A
/B P3S 601 N /B GLU 136 OE1 no hydrogen 2.685 N/A
/B P3S 601 N /B GLU 136 OE2 no hydrogen 3.568 N/A
/B P3S 601 N /B GLY 249 O no hydrogen 2.500 N/A
/B HOH 718 O /B P3S 601 OT no hydrogen 2.603 N/A
/B HOH 741 O /B P3S 601 O3A no hydrogen 3.311 N/A
/B HOH 744 O /B P3S 601 O3A no hydrogen 2.918 N/A
/C HIS 253 NE2 /C P3S 601 O no hydrogen 2.561 N/A
/C ARG 299 NH1 /C P3S 601 OT no hydrogen 2.934 N/A
/C ARG 319 NE /C P3S 601 O1A no hydrogen 3.258 N/A
/C ARG 319 NE /C P3S 601 OE no hydrogen 3.250 N/A
/C ARG 319 NH1 /C P3S 601 O1A no hydrogen 3.015 N/A
/C ARG 340 NH1 /C P3S 601 O2A no hydrogen 3.313 N/A
/C ARG 340 NH2 /C P3S 601 OE no hydrogen 3.060 N/A
/C P3S 601 N /C GLU 136 OE1 no hydrogen 2.671 N/A
/C P3S 601 N /C GLU 136 OE2 no hydrogen 3.184 N/A
/C P3S 601 N /C GLY 249 O no hydrogen 2.862 N/A
/C P3S 601 N /C HOH 730 O no hydrogen 2.710 N/A
/C HOH 704 O /C P3S 601 OT no hydrogen 2.778 N/A
/C HOH 740 O /C P3S 601 O3A no hydrogen 2.731 N/A
/D HIS 253 NE2 /D P3S 601 O no hydrogen 2.787 N/A
/D ARG 299 NH1 /D P3S 601 OT no hydrogen 3.081 N/A
/D ARG 319 NE /D P3S 601 O1A no hydrogen 3.015 N/A
/D ARG 319 NE /D P3S 601 OE no hydrogen 3.228 N/A
/D ARG 319 NH1 /D P3S 601 O1A no hydrogen 3.052 N/A
/D ARG 340 NH1 /D P3S 601 O2A no hydrogen 3.204 N/A
/D ARG 340 NH2 /D P3S 601 OE no hydrogen 3.172 N/A
/D P3S 601 N /D GLU 136 OE1 no hydrogen 2.769 N/A
/D P3S 601 N /D GLU 136 OE2 no hydrogen 3.291 N/A
/D P3S 601 N /D GLY 249 O no hydrogen 2.821 N/A
/D P3S 601 N /D HOH 711 O no hydrogen 2.672 N/A
/E HIS 253 NE2 /E P3S 601 O no hydrogen 2.761 N/A
/E ARG 299 NH1 /E P3S 601 OT no hydrogen 3.174 N/A
/E ARG 319 NE /E P3S 601 O1A no hydrogen 2.979 N/A
/E ARG 319 NE /E P3S 601 OE no hydrogen 3.237 N/A
/E ARG 319 NH1 /E P3S 601 O1A no hydrogen 3.014 N/A
/E ARG 340 NH1 /E P3S 601 O2A no hydrogen 3.258 N/A
/E ARG 340 NH2 /E P3S 601 OE no hydrogen 3.174 N/A
/E P3S 601 N /E GLU 136 OE1 no hydrogen 2.644 N/A
/E P3S 601 N /E GLU 136 OE2 no hydrogen 3.463 N/A
/E P3S 601 N /E GLY 249 O no hydrogen 2.745 N/A
/E P3S 601 NE /E HOH 629 O no hydrogen 3.237 N/A
/E P3S 601 O3A /E GLU 134 OE1 no hydrogen 2.958 N/A
/E P3S 601 O3A /E ADP 501 O3B no hydrogen 2.929 N/A
/E HOH 629 O /E P3S 601 O3A no hydrogen 2.602 N/A
/F HIS 253 NE2 /F P3S 601 O no hydrogen 2.805 N/A
/F ARG 299 NH1 /F P3S 601 OT no hydrogen 2.873 N/A
/F ARG 319 NE /F P3S 601 O1A no hydrogen 3.349 N/A
/F ARG 319 NE /F P3S 601 O2A no hydrogen 3.486 N/A
/F ARG 319 NE /F P3S 601 OE no hydrogen 3.321 N/A
/F ARG 319 NH1 /F P3S 601 O1A no hydrogen 3.177 N/A
/F ARG 340 NH1 /F P3S 601 O2A no hydrogen 2.797 N/A
/F ARG 340 NH2 /F P3S 601 OE no hydrogen 3.034 N/A
/F P3S 601 N /F GLU 136 OE1 no hydrogen 2.618 N/A
/F P3S 601 N /F GLU 136 OE2 no hydrogen 3.283 N/A
/F P3S 601 N /F GLY 249 O no hydrogen 2.573 N/A
/F P3S 601 N /F HOH 712 O no hydrogen 2.773 N/A
/F P3S 601 NE /F GLU 136 OE2 no hydrogen 3.229 N/A
/G HIS 253 NE2 /G P3S 601 O no hydrogen 2.785 N/A
/G ARG 299 NH1 /G P3S 601 OT no hydrogen 2.907 N/A
/G ARG 319 NE /G P3S 601 O1A no hydrogen 2.695 N/A
/G ARG 319 NE /G P3S 601 OE no hydrogen 3.178 N/A
/G ARG 319 NH1 /G P3S 601 O1A no hydrogen 2.829 N/A
/G ARG 340 NH1 /G P3S 601 O2A no hydrogen 3.137 N/A
/G ARG 340 NH2 /G P3S 601 OE no hydrogen 3.276 N/A
/G P3S 601 N /G GLU 136 OE1 no hydrogen 2.587 N/A
/G P3S 601 N /G GLU 136 OE2 no hydrogen 3.306 N/A
/G P3S 601 N /G GLY 249 O no hydrogen 2.509 N/A
/H HIS 253 NE2 /H P3S 601 O no hydrogen 2.707 N/A
/H ARG 299 NH1 /H P3S 601 OT no hydrogen 2.708 N/A
/H ARG 319 NE /H P3S 601 O1A no hydrogen 2.885 N/A
/H ARG 319 NE /H P3S 601 OE no hydrogen 3.235 N/A
/H ARG 319 NH1 /H P3S 601 O1A no hydrogen 2.947 N/A
/H ARG 340 NH1 /H P3S 601 O2A no hydrogen 3.511 N/A
/H ARG 340 NH2 /H P3S 601 OE no hydrogen 3.080 N/A
/H P3S 601 N /H GLU 136 OE1 no hydrogen 2.695 N/A
/H P3S 601 N /H GLU 136 OE2 no hydrogen 3.467 N/A
/H P3S 601 N /H GLY 249 O no hydrogen 2.568 N/A
/I HIS 253 NE2 /I P3S 601 O no hydrogen 3.058 N/A
/I ARG 299 NH1 /I P3S 601 OT no hydrogen 3.074 N/A
/I ARG 319 NE /I P3S 601 O1A no hydrogen 3.358 N/A
/I ARG 319 NE /I P3S 601 O2A no hydrogen 3.474 N/A
/I ARG 319 NE /I P3S 601 OE no hydrogen 3.425 N/A
/I ARG 319 NH1 /I P3S 601 O1A no hydrogen 2.998 N/A
/I ARG 319 NH1 /I P3S 601 O2A no hydrogen 3.373 N/A
/I ARG 340 NH1 /I P3S 601 O2A no hydrogen 3.004 N/A
/I ARG 340 NH2 /I P3S 601 OE no hydrogen 3.127 N/A
/I P3S 601 N /I GLU 136 OE1 no hydrogen 2.663 N/A
/I P3S 601 N /I GLU 136 OE2 no hydrogen 3.274 N/A
/I P3S 601 N /I GLY 249 O no hydrogen 2.753 N/A
/J HIS 253 NE2 /J P3S 601 O no hydrogen 2.812 N/A
/J ARG 299 NH1 /J P3S 601 OT no hydrogen 3.037 N/A
/J ARG 319 NE /J P3S 601 O1A no hydrogen 3.045 N/A
/J ARG 319 NE /J P3S 601 OE no hydrogen 3.164 N/A
/J ARG 319 NH1 /J P3S 601 O1A no hydrogen 2.967 N/A
/J ARG 340 NH1 /J P3S 601 O2A no hydrogen 3.191 N/A
/J ARG 340 NH2 /J P3S 601 OE no hydrogen 3.297 N/A
/J P3S 601 N /J GLU 136 OE1 no hydrogen 2.620 N/A
/J P3S 601 N /J GLU 136 OE2 no hydrogen 3.429 N/A
/J P3S 601 N /J GLY 249 O no hydrogen 2.591 N/A
/J P3S 601 N /J HOH 714 O no hydrogen 2.752 N/A
/J P3S 601 NE /J HOH 718 O no hydrogen 3.291 N/A
/J P3S 601 O1A /J P3S 601 OE no hydrogen 3.303 N/A
/J HOH 718 O /J P3S 601 O3A no hydrogen 2.759 N/A
121 hydrogen bonds found
> label @@display
> select :ADP
270 atoms, 290 bonds, 10 residues, 1 model selected
> show sel
> hbonds :ADP, P3S reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
1 2qc8
188 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
/A HIS 253 NE2 /A P3S 601 O no hydrogen 2.681 N/A
/A SER 257 OG /A ADP 501 N1 no hydrogen 2.922 N/A
/A ARG 299 NH1 /A P3S 601 OT no hydrogen 3.167 N/A
/A ARG 319 NE /A P3S 601 O1A no hydrogen 2.982 N/A
/A ARG 319 NE /A P3S 601 OE no hydrogen 3.242 N/A
/A ARG 319 NH1 /A P3S 601 O1A no hydrogen 2.967 N/A
/A ARG 324 NH1 /A ADP 501 O3B no hydrogen 3.143 N/A
/A ARG 324 NH2 /A ADP 501 O2B no hydrogen 2.951 N/A
/A ARG 340 NH1 /A P3S 601 O2A no hydrogen 2.969 N/A
/A ARG 340 NH2 /A P3S 601 OE no hydrogen 2.965 N/A
/A ADP 501 N6 /A SER 257 OG no hydrogen 3.101 N/A
/A P3S 601 N /A GLU 136 OE1 no hydrogen 2.707 N/A
/A P3S 601 N /A GLU 136 OE2 no hydrogen 3.395 N/A
/A P3S 601 N /A GLY 249 O no hydrogen 2.664 N/A
/A P3S 601 N /A HOH 733 O no hydrogen 2.655 N/A
/A HOH 730 O /A ADP 501 O3B no hydrogen 2.554 N/A
/A HOH 731 O /A ADP 501 O1A no hydrogen 2.763 N/A
/A HOH 732 O /B ADP 501 O1A no hydrogen 2.872 N/A
/B HIS 253 NE2 /B P3S 601 O no hydrogen 2.621 N/A
/B SER 257 OG /B ADP 501 N1 no hydrogen 2.917 N/A
/B ARG 299 NH1 /B P3S 601 OT no hydrogen 3.037 N/A
/B ARG 319 NE /B P3S 601 O1A no hydrogen 2.927 N/A
/B ARG 319 NE /B P3S 601 OE no hydrogen 3.059 N/A
/B ARG 319 NH1 /B P3S 601 O1A no hydrogen 2.787 N/A
/B ARG 324 NH1 /B ADP 501 O2B no hydrogen 2.988 N/A
/B ARG 324 NH2 /B ADP 501 O1B no hydrogen 2.892 N/A
/B ARG 340 NH1 /B P3S 601 O2A no hydrogen 3.220 N/A
/B ARG 340 NH2 /B P3S 601 OE no hydrogen 3.192 N/A
/B ADP 501 N6 /B SER 257 OG no hydrogen 3.066 N/A
/B P3S 601 N /B GLU 136 OE1 no hydrogen 2.685 N/A
/B P3S 601 N /B GLU 136 OE2 no hydrogen 3.568 N/A
/B P3S 601 N /B GLY 249 O no hydrogen 2.500 N/A
/B HOH 718 O /B P3S 601 OT no hydrogen 2.603 N/A
/B HOH 741 O /B ADP 501 O2A no hydrogen 3.223 N/A
/B HOH 741 O /B ADP 501 O3B no hydrogen 3.216 N/A
/B HOH 741 O /B P3S 601 O3A no hydrogen 3.311 N/A
/B HOH 742 O /B ADP 501 O2B no hydrogen 2.735 N/A
/B HOH 742 O /B ADP 501 O3A no hydrogen 3.334 N/A
/B HOH 744 O /B P3S 601 O3A no hydrogen 2.918 N/A
/C HIS 253 NE2 /C P3S 601 O no hydrogen 2.561 N/A
/C SER 257 OG /C ADP 501 N1 no hydrogen 2.843 N/A
/C ARG 299 NH1 /C P3S 601 OT no hydrogen 2.934 N/A
/C ARG 319 NE /C P3S 601 O1A no hydrogen 3.258 N/A
/C ARG 319 NE /C P3S 601 OE no hydrogen 3.250 N/A
/C ARG 319 NH1 /C P3S 601 O1A no hydrogen 3.015 N/A
/C ARG 324 NH1 /C ADP 501 O2B no hydrogen 3.215 N/A
/C ARG 324 NH2 /C ADP 501 O1B no hydrogen 3.241 N/A
/C ARG 340 NH1 /C P3S 601 O2A no hydrogen 3.313 N/A
/C ARG 340 NH2 /C P3S 601 OE no hydrogen 3.060 N/A
/C ADP 501 N6 /C SER 257 OG no hydrogen 2.916 N/A
/C P3S 601 N /C GLU 136 OE1 no hydrogen 2.671 N/A
/C P3S 601 N /C GLU 136 OE2 no hydrogen 3.184 N/A
/C P3S 601 N /C GLY 249 O no hydrogen 2.862 N/A
/C P3S 601 N /C HOH 730 O no hydrogen 2.710 N/A
/C HOH 704 O /C P3S 601 OT no hydrogen 2.778 N/A
/C HOH 707 O /D ADP 501 O1A no hydrogen 2.790 N/A
/C HOH 709 O /C ADP 501 O1A no hydrogen 2.788 N/A
/C HOH 736 O /C ADP 501 O2B no hydrogen 2.455 N/A
/C HOH 738 O /C ADP 501 O2A no hydrogen 3.030 N/A
/C HOH 739 O /C ADP 501 O1A no hydrogen 2.305 N/A
/C HOH 740 O /C P3S 601 O3A no hydrogen 2.731 N/A
/D HIS 253 NE2 /D P3S 601 O no hydrogen 2.787 N/A
/D SER 257 OG /D ADP 501 N1 no hydrogen 2.918 N/A
/D ARG 299 NH1 /D P3S 601 OT no hydrogen 3.081 N/A
/D ARG 319 NE /D P3S 601 O1A no hydrogen 3.015 N/A
/D ARG 319 NE /D P3S 601 OE no hydrogen 3.228 N/A
/D ARG 319 NH1 /D P3S 601 O1A no hydrogen 3.052 N/A
/D ARG 324 NH1 /D ADP 501 O2B no hydrogen 3.005 N/A
/D ARG 324 NH2 /D ADP 501 O1B no hydrogen 3.058 N/A
/D ARG 340 NH1 /D P3S 601 O2A no hydrogen 3.204 N/A
/D ARG 340 NH2 /D P3S 601 OE no hydrogen 3.172 N/A
/D ADP 501 N6 /D SER 257 OG no hydrogen 3.262 N/A
/D P3S 601 N /D GLU 136 OE1 no hydrogen 2.769 N/A
/D P3S 601 N /D GLU 136 OE2 no hydrogen 3.291 N/A
/D P3S 601 N /D GLY 249 O no hydrogen 2.821 N/A
/D P3S 601 N /D HOH 711 O no hydrogen 2.672 N/A
/D HOH 747 O /D ADP 501 O2A no hydrogen 2.899 N/A
/D HOH 747 O /D ADP 501 O3B no hydrogen 3.367 N/A
/D HOH 749 O /E ADP 501 O1A no hydrogen 2.821 N/A
/E HIS 253 NE2 /E P3S 601 O no hydrogen 2.761 N/A
/E SER 257 OG /E ADP 501 N1 no hydrogen 3.090 N/A
/E ARG 299 NH1 /E P3S 601 OT no hydrogen 3.174 N/A
/E ARG 319 NE /E P3S 601 O1A no hydrogen 2.979 N/A
/E ARG 319 NE /E P3S 601 OE no hydrogen 3.237 N/A
/E ARG 319 NH1 /E P3S 601 O1A no hydrogen 3.014 N/A
/E ARG 324 NH1 /E ADP 501 O2B no hydrogen 3.406 N/A
/E ARG 324 NH2 /E ADP 501 O1B no hydrogen 2.996 N/A
/E ARG 340 NH1 /E P3S 601 O2A no hydrogen 3.258 N/A
/E ARG 340 NH2 /E P3S 601 OE no hydrogen 3.174 N/A
/E ADP 501 N6 /E SER 257 OG no hydrogen 3.295 N/A
/E P3S 601 N /E GLU 136 OE1 no hydrogen 2.644 N/A
/E P3S 601 N /E GLU 136 OE2 no hydrogen 3.463 N/A
/E P3S 601 N /E GLY 249 O no hydrogen 2.745 N/A
/E P3S 601 NE /E HOH 629 O no hydrogen 3.237 N/A
/E P3S 601 O3A /E GLU 134 OE1 no hydrogen 2.958 N/A
/E P3S 601 O3A /E ADP 501 O3B no hydrogen 2.929 N/A
/E HOH 624 O /E ADP 501 O1A no hydrogen 2.441 N/A
/E HOH 624 O /E ADP 501 O3A no hydrogen 3.426 N/A
/E HOH 627 O /E ADP 501 O3B no hydrogen 2.858 N/A
/E HOH 628 O /E ADP 501 O2B no hydrogen 2.753 N/A
/E HOH 629 O /E P3S 601 O3A no hydrogen 2.602 N/A
/F HIS 253 NE2 /F P3S 601 O no hydrogen 2.805 N/A
/F SER 257 OG /F ADP 501 N1 no hydrogen 2.693 N/A
/F ARG 299 NH1 /F P3S 601 OT no hydrogen 2.873 N/A
/F ARG 319 NE /F P3S 601 O1A no hydrogen 3.349 N/A
/F ARG 319 NE /F P3S 601 O2A no hydrogen 3.486 N/A
/F ARG 319 NE /F P3S 601 OE no hydrogen 3.321 N/A
/F ARG 319 NH1 /F P3S 601 O1A no hydrogen 3.177 N/A
/F ARG 324 NH1 /F ADP 501 O2B no hydrogen 3.296 N/A
/F ARG 324 NH2 /F ADP 501 O1B no hydrogen 3.380 N/A
/F ARG 340 NH1 /F P3S 601 O2A no hydrogen 2.797 N/A
/F ARG 340 NH2 /F P3S 601 OE no hydrogen 3.034 N/A
/F ADP 501 N6 /F SER 257 OG no hydrogen 3.130 N/A
/F P3S 601 N /F GLU 136 OE1 no hydrogen 2.618 N/A
/F P3S 601 N /F GLU 136 OE2 no hydrogen 3.283 N/A
/F P3S 601 N /F GLY 249 O no hydrogen 2.573 N/A
/F P3S 601 N /F HOH 712 O no hydrogen 2.773 N/A
/F P3S 601 NE /F GLU 136 OE2 no hydrogen 3.229 N/A
/F HOH 717 O /F ADP 501 O3B no hydrogen 2.595 N/A
/F HOH 718 O /F ADP 501 O2B no hydrogen 2.910 N/A
/G HIS 253 NE2 /G P3S 601 O no hydrogen 2.785 N/A
/G SER 257 OG /G ADP 501 N1 no hydrogen 2.634 N/A
/G ARG 299 NH1 /G P3S 601 OT no hydrogen 2.907 N/A
/G ARG 319 NE /G P3S 601 O1A no hydrogen 2.695 N/A
/G ARG 319 NE /G P3S 601 OE no hydrogen 3.178 N/A
/G ARG 319 NH1 /G P3S 601 O1A no hydrogen 2.829 N/A
/G ARG 324 NH1 /G ADP 501 O1B no hydrogen 3.383 N/A
/G ARG 324 NH1 /G ADP 501 O2B no hydrogen 3.441 N/A
/G ARG 324 NH2 /G ADP 501 O1B no hydrogen 3.130 N/A
/G ARG 340 NH1 /G P3S 601 O2A no hydrogen 3.137 N/A
/G ARG 340 NH2 /G P3S 601 OE no hydrogen 3.276 N/A
/G ADP 501 N6 /G SER 257 OG no hydrogen 3.164 N/A
/G P3S 601 N /G GLU 136 OE1 no hydrogen 2.587 N/A
/G P3S 601 N /G GLU 136 OE2 no hydrogen 3.306 N/A
/G P3S 601 N /G GLY 249 O no hydrogen 2.509 N/A
/H HIS 253 NE2 /H P3S 601 O no hydrogen 2.707 N/A
/H SER 257 OG /H ADP 501 N1 no hydrogen 2.906 N/A
/H ARG 299 NH1 /H P3S 601 OT no hydrogen 2.708 N/A
/H ARG 319 NE /H P3S 601 O1A no hydrogen 2.885 N/A
/H ARG 319 NE /H P3S 601 OE no hydrogen 3.235 N/A
/H ARG 319 NH1 /H P3S 601 O1A no hydrogen 2.947 N/A
/H ARG 324 NH1 /H ADP 501 O2B no hydrogen 3.041 N/A
/H ARG 324 NH2 /H ADP 501 O1B no hydrogen 3.209 N/A
/H ARG 340 NH1 /H P3S 601 O2A no hydrogen 3.511 N/A
/H ARG 340 NH2 /H P3S 601 OE no hydrogen 3.080 N/A
/H ADP 501 N6 /H SER 257 OG no hydrogen 3.228 N/A
/H P3S 601 N /H GLU 136 OE1 no hydrogen 2.695 N/A
/H P3S 601 N /H GLU 136 OE2 no hydrogen 3.467 N/A
/H P3S 601 N /H GLY 249 O no hydrogen 2.568 N/A
/I HIS 253 NE2 /I P3S 601 O no hydrogen 3.058 N/A
/I SER 257 OG /I ADP 501 N1 no hydrogen 2.906 N/A
/I ARG 299 NH1 /I P3S 601 OT no hydrogen 3.074 N/A
/I ARG 319 NE /I P3S 601 O1A no hydrogen 3.358 N/A
/I ARG 319 NE /I P3S 601 O2A no hydrogen 3.474 N/A
/I ARG 319 NE /I P3S 601 OE no hydrogen 3.425 N/A
/I ARG 319 NH1 /I P3S 601 O1A no hydrogen 2.998 N/A
/I ARG 319 NH1 /I P3S 601 O2A no hydrogen 3.373 N/A
/I ARG 324 NH1 /I ADP 501 O2B no hydrogen 3.006 N/A
/I ARG 324 NH2 /I ADP 501 O1B no hydrogen 2.986 N/A
/I ARG 340 NH1 /I P3S 601 O2A no hydrogen 3.004 N/A
/I ARG 340 NH2 /I P3S 601 OE no hydrogen 3.127 N/A
/I ADP 501 N6 /I SER 257 OG no hydrogen 3.204 N/A
/I P3S 601 N /I GLU 136 OE1 no hydrogen 2.663 N/A
/I P3S 601 N /I GLU 136 OE2 no hydrogen 3.274 N/A
/I P3S 601 N /I GLY 249 O no hydrogen 2.753 N/A
/I HOH 718 O /I ADP 501 O2A no hydrogen 2.751 N/A
/I HOH 718 O /I ADP 501 O3B no hydrogen 3.050 N/A
/I HOH 719 O /I ADP 501 O2B no hydrogen 2.492 N/A
/J HIS 253 NE2 /J P3S 601 O no hydrogen 2.812 N/A
/J SER 257 OG /J ADP 501 N1 no hydrogen 2.924 N/A
/J ARG 299 NH1 /J P3S 601 OT no hydrogen 3.037 N/A
/J ARG 319 NE /J P3S 601 O1A no hydrogen 3.045 N/A
/J ARG 319 NE /J P3S 601 OE no hydrogen 3.164 N/A
/J ARG 319 NH1 /J P3S 601 O1A no hydrogen 2.967 N/A
/J ARG 324 NH1 /J ADP 501 O2B no hydrogen 3.382 N/A
/J ARG 324 NH1 /J ADP 501 O3B no hydrogen 2.995 N/A
/J ARG 324 NH2 /J ADP 501 O2B no hydrogen 2.844 N/A
/J ARG 340 NH1 /J P3S 601 O2A no hydrogen 3.191 N/A
/J ARG 340 NH2 /J P3S 601 OE no hydrogen 3.297 N/A
/J ADP 501 N6 /J SER 257 OG no hydrogen 3.207 N/A
/J P3S 601 N /J GLU 136 OE1 no hydrogen 2.620 N/A
/J P3S 601 N /J GLU 136 OE2 no hydrogen 3.429 N/A
/J P3S 601 N /J GLY 249 O no hydrogen 2.591 N/A
/J P3S 601 N /J HOH 714 O no hydrogen 2.752 N/A
/J P3S 601 NE /J HOH 718 O no hydrogen 3.291 N/A
/J P3S 601 O1A /J P3S 601 OE no hydrogen 3.303 N/A
/J HOH 717 O /J ADP 501 O1B no hydrogen 2.707 N/A
/J HOH 718 O /J P3S 601 O3A no hydrogen 2.759 N/A
188 hydrogen bonds found
> label @@display
> label height 1.4
> label height 1.25
> label height 1.2
> select clear
> select :P3S
150 atoms, 140 bonds, 1 pseudobond, 10 residues, 2 models selected
> hide label
Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword
> clear label
Unknown command: clear label
> save /Users/isabelladibiasio/Desktop/image3.png supersample 3
> select clear
> coulombic
The following residues are missing heavy (non-hydrogen) atoms, which may
result in inaccurate electrostatics:
/A GLU 24
/A GLY 365
/B GLU 24
/B GLY 365
/C GLU 24
/C GLY 365
/D GLU 24
/D GLY 365
/E GLU 24
/F GLU 24
/F GLY 365
/G GLU 24
/G GLY 365
/H GLU 24
/H GLY 365
/I GLU 24
/I GLY 365
/J GLU 24
/J GLY 365
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for 2qc8_A SES surface #1.4: minimum, -25.33, mean -1.22,
maximum 12.45
Coulombic values for 2qc8_B SES surface #1.5: minimum, -25.37, mean -1.39,
maximum 13.66
Coulombic values for 2qc8_C SES surface #1.6: minimum, -24.81, mean -1.40,
maximum 12.60
Coulombic values for 2qc8_D SES surface #1.7: minimum, -25.31, mean -1.47,
maximum 11.67
Coulombic values for 2qc8_E SES surface #1.8: minimum, -24.90, mean -1.00,
maximum 24.49
Coulombic values for 2qc8_F SES surface #1.9: minimum, -26.55, mean -1.18,
maximum 28.25
Coulombic values for 2qc8_G SES surface #1.10: minimum, -25.62, mean -1.45,
maximum 18.46
Coulombic values for 2qc8_H SES surface #1.11: minimum, -25.18, mean -1.39,
maximum 16.49
Coulombic values for 2qc8_I SES surface #1.12: minimum, -24.97, mean -1.37,
maximum 19.34
Coulombic values for 2qc8_J SES surface #1.13: minimum, -25.19, mean -1.39,
maximum 17.12
To also show corresponding color key, enter the above coulombic command and
add key true
> select :P3S
150 atoms, 140 bonds, 1 pseudobond, 10 residues, 2 models selected
> undo
> close
> open 2qc8
2qc8 title:
Crystal structure of human glutamine synthetase in complex with ADP and
methionine sulfoximine phosphate [more info...]
Chain information for 2qc8 #1
---
Chain | Description | UniProt
A B C D E F G H I J | Glutamine synthetase | GLNA_HUMAN 5-365
Non-standard residues in 2qc8 #1
---
ADP — adenosine-5'-diphosphate
CL — chloride ion
MN — manganese (II) ion
P3S — L-methionine-S-sulfoximine phosphate
> hide solvent
> select :P3S
150 atoms, 140 bonds, 10 residues, 1 model selected
> hide ~sel
> select :ADP
270 atoms, 290 bonds, 10 residues, 1 model selected
> show sel
> hbonds :ADP, P3S reveal true log true
===== Log before crash end =====
Log:
Startup Messages
---
warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR
bundle with that from NMRSTAR bundle
UCSF ChimeraX version: 1.7 (2023-12-19)
© 2016-2023 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
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Resolution: 2560 x 1600 Retina
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ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.2.2
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.1.2
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.33.2
ChimeraX-uniprot: 2.3
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.3.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.3
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.2.0
contourpy: 1.2.0
cxservices: 1.2.2
cycler: 0.12.1
Cython: 0.29.33
debugpy: 1.8.0
decorator: 5.1.1
docutils: 0.19
executing: 2.0.1
filelock: 3.9.0
fonttools: 4.47.0
funcparserlib: 2.0.0a0
glfw: 2.6.4
grako: 3.16.5
h5py: 3.10.0
html2text: 2020.1.16
idna: 3.6
ihm: 0.38
imagecodecs: 2023.9.18
imagesize: 1.4.1
ipykernel: 6.23.2
ipython: 8.14.0
ipython-genutils: 0.2.0
ipywidgets: 8.1.1
jedi: 0.18.2
Jinja2: 3.1.2
jupyter-client: 8.2.0
jupyter-core: 5.5.1
jupyterlab-widgets: 3.0.9
kiwisolver: 1.4.5
line-profiler: 4.0.2
lxml: 4.9.2
lz4: 4.3.2
MarkupSafe: 2.1.3
matplotlib: 3.7.2
matplotlib-inline: 0.1.6
msgpack: 1.0.4
nest-asyncio: 1.5.8
netCDF4: 1.6.2
networkx: 3.1
nibabel: 5.0.1
nptyping: 2.5.0
numexpr: 2.8.8
numpy: 1.25.1
openvr: 1.23.701
packaging: 21.3
ParmEd: 3.4.3
parso: 0.8.3
pep517: 0.13.0
pexpect: 4.9.0
pickleshare: 0.7.5
Pillow: 10.0.1
pip: 23.0
pkginfo: 1.9.6
platformdirs: 4.1.0
prompt-toolkit: 3.0.43
psutil: 5.9.5
ptyprocess: 0.7.0
pure-eval: 0.2.2
py-cpuinfo: 9.0.0
pycollada: 0.7.2
pydicom: 2.3.0
Pygments: 2.16.1
pynrrd: 1.0.0
PyOpenGL: 3.1.7
PyOpenGL-accelerate: 3.1.7
pyopenxr: 1.0.2801
pyparsing: 3.0.9
pyproject-hooks: 1.0.0
PyQt6-commercial: 6.3.1
PyQt6-Qt6: 6.3.2
PyQt6-sip: 13.4.0
PyQt6-WebEngine-commercial: 6.3.1
PyQt6-WebEngine-Qt6: 6.3.2
python-dateutil: 2.8.2
pytz: 2023.3.post1
pyzmq: 25.1.2
qtconsole: 5.4.3
QtPy: 2.4.1
RandomWords: 0.4.0
requests: 2.31.0
scipy: 1.11.1
setuptools: 67.4.0
setuptools-scm: 7.0.5
sfftk-rw: 0.7.3
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.5
sphinx: 6.1.3
sphinx-autodoc-typehints: 1.22
sphinxcontrib-applehelp: 1.0.7
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 1.0.5
sphinxcontrib-htmlhelp: 2.0.4
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.6
sphinxcontrib-serializinghtml: 1.1.9
stack-data: 0.6.3
superqt: 0.5.0
tables: 3.8.0
tcia-utils: 1.5.1
tifffile: 2023.7.18
tinyarray: 1.2.4
tomli: 2.0.1
tornado: 6.4
traitlets: 5.9.0
typing-extensions: 4.9.0
tzdata: 2023.3
urllib3: 2.1.0
wcwidth: 0.2.12
webcolors: 1.12
wheel: 0.38.4
wheel-filename: 1.4.1
widgetsnbextension: 4.0.9
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