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4QH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAGSBIdoub1.42Å1.53Å
CANCAMdoub1.38Å1.39ÅAromatic
CANCBCsing1.38Å1.41ÅAromatic
CAMCAZsing1.39Å1.40ÅAromatic
CABOATsing1.43Å1.46Å
SBICBCsing1.76Å1.79Å
SBIOAHdoub1.42Å1.53Å
SBINARsing1.66Å1.85Å
CBCCAOdoub1.38Å1.40ÅAromatic
CAZOATsing1.36Å1.36Å
CAZCBAdoub1.39Å1.41ÅAromatic
CAOCBAsing1.39Å1.39ÅAromatic
CBAOAUsing1.36Å1.38Å
NARCAYsing1.40Å1.38Å
OAUCACsing1.43Å1.43Å
CAJCALdoub1.38Å1.39ÅAromatic
CAJCAWsing1.39Å1.39ÅAromatic
CALCAXsing1.39Å1.38ÅAromatic
CAYCAPdoub1.39Å1.41ÅAromatic
CAYCBBsing1.39Å1.42ÅAromatic
OASCAWsing1.36Å1.38Å
OASCAAsing1.43Å1.41Å
CAWCAIdoub1.39Å1.40ÅAromatic
OAVCAXsing1.36Å1.37Å
OAVCBBsing1.36Å1.38Å
CAXCAKdoub1.39Å1.38ÅAromatic
CAICAKsing1.38Å1.39ÅAromatic
CAPCBEsing1.39Å1.35ÅAromatic
CBBCAQdoub1.38Å1.39ÅAromatic
CBECBFdoub1.40Å1.38ÅAromatic
CBENBGsing1.39Å1.32Å
CAQCBFsing1.39Å1.33ÅAromatic
CADNBGsing1.46Å1.48Å
CBFNBHsing1.40Å1.33Å
NBGCBDsing1.35Å1.34Å
NBHCBDsing1.35Å1.34Å
NBHCAEsing1.47Å1.46Å
CBDOAFdoub1.22Å1.21Å
CACH1sing1.09Å1.10Å
CACH2sing1.09Å1.10Å
CACH3sing1.09Å1.10Å
CAOH4sing1.08Å1.08Å
CABH5sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CAMH8sing1.08Å1.08Å
CANH9sing1.08Å1.08Å
NARH10sing0.97Å1.00Å
CAPH11sing1.08Å1.08Å
CADH12sing1.09Å1.10Å
CADH13sing1.09Å1.10Å
CADH14sing1.09Å1.10Å
CAEH15sing1.09Å1.10Å
CAEH16sing1.09Å1.10Å
CAEH17sing1.09Å1.10Å
CAQH18sing1.08Å1.08Å
CAKH19sing1.08Å1.08Å
CAIH20sing1.08Å1.08Å
CAAH21sing1.09Å1.10Å
CAAH22sing1.09Å1.10Å
CAAH23sing1.09Å1.10Å
CAJH24sing1.08Å1.08Å
CALH25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAGSBICBC107.4°106.4°
OAGSBIOAH107.7°123.2°
OAGSBINAR109.0°106.4°
CAMCANCBC119.9°120.2°
CANCAMCAZ118.6°120.0°
CANCAMH8120.7°120.0°
CAMCANH9120.0°119.9°
CANCBCSBI119.7°119.9°
CANCBCCAO121.3°120.1°
CBCCANH9120.0°119.9°
CAMCAZOAT120.8°120.0°
CAMCAZCBA121.9°119.9°
CAZCAMH8120.7°120.0°
CABOATCAZ112.1°117.0°
OATCABH5109.5°109.5°
OATCABH6109.5°109.4°
OATCABH7109.4°109.5°
CBCSBIOAH109.4°106.4°
CBCSBINAR111.0°107.2°
SBICBCCAO119.0°120.0°
OAHSBINAR112.1°106.4°
SBINARCAY122.4°120.0°
SBINARH10106.2°120.0°
CBCCAOCBA119.0°120.0°
CBCCAOH4120.5°120.0°
OATCAZCBA117.3°120.1°
CAZCBACAO119.4°119.8°
CAZCBAOAU116.6°120.0°
CAOCBAOAU124.0°120.1°
CBACAOH4120.5°119.9°
CBAOAUCAC117.2°117.0°
NARCAYCAP124.9°120.0°
NARCAYCBB118.2°120.0°
CAYNARH10106.1°120.0°
OAUCACH1109.5°109.4°
OAUCACH2109.5°109.5°
OAUCACH3109.5°109.5°
CALCAJCAW121.3°120.0°
CAJCALCAX120.9°120.0°
CALCAJH24119.4°120.0°
CAJCALH25119.6°120.0°
CAJCAWOAS118.2°120.0°
CAJCAWCAI118.2°120.0°
CAWCAJH24119.4°120.0°
CALCAXOAV118.4°120.0°
CALCAXCAK118.0°120.0°
CAXCALH25119.6°120.0°
CAPCAYCBB117.0°120.1°
CAYCAPCBE120.3°119.9°
CAYCAPH11119.9°120.1°
CAYCBBOAV119.8°119.9°
CAYCBBCAQ120.3°120.1°
CAWOASCAA114.4°117.0°
OASCAWCAI123.6°120.0°
OASCAAH21109.5°109.5°
OASCAAH22109.5°109.5°
OASCAAH23109.5°109.5°
CAWCAICAK119.7°120.0°
CAWCAIH20120.2°120.0°
CAXOAVCBB117.4°118.0°
OAVCAXCAK123.6°120.0°
OAVCBBCAQ120.0°119.9°
CAXCAKCAI122.0°120.0°
CAXCAKH19119.0°120.0°
CAICAKH19119.0°120.0°
CAKCAIH20120.1°120.0°
CAPCBECBF121.3°120.0°
CAPCBENBG131.2°133.2°
CBECAPH11119.8°120.0°
CBBCAQCBF120.6°119.8°
CBBCAQH18119.7°120.1°
CBFCBENBG107.5°106.8°
CBECBFCAQ120.5°120.1°
CBECBFNBH109.0°106.8°
CBENBGCAD127.0°125.8°
CBENBGCBD106.8°108.4°
CAQCBFNBH130.5°133.2°
CBFCAQH18119.7°120.1°
CADNBGCBD126.1°125.8°
NBGCADH12109.5°109.5°
NBGCADH13109.5°109.5°
NBGCADH14109.5°109.5°
CBFNBHCBD105.6°108.4°
CBFNBHCAE129.6°125.8°
NBGCBDNBH111.1°109.7°
NBGCBDOAF124.7°125.1°
CBDNBHCAE124.7°125.8°
NBHCBDOAF124.2°125.2°
NBHCAEH15109.5°109.5°
NBHCAEH16109.5°109.5°
NBHCAEH17109.5°109.4°
H1CACH2109.5°109.5°
H1CACH3109.5°109.5°
H2CACH3109.5°109.5°
H5CABH6109.5°109.5°
H5CABH7109.5°109.5°
H6CABH7109.5°109.5°
H12CADH13109.5°109.5°
H12CADH14109.5°109.5°
H13CADH14109.5°109.4°
H15CAEH16109.5°109.5°
H15CAEH17109.4°109.5°
H16CAEH17109.5°109.5°
H21CAAH22109.5°109.5°
H21CAAH23109.4°109.5°
H22CAAH23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAGSBICBCCAN43.9°156.4°
OAGSBICBCOAH116.6°132.9°
OAGSBICBCNAR119.1°113.5°
OAGSBIOAHNAR120.0°123.0°
OAGSBICBCCAO135.1°23.9°
OAGSBINARCAY162.5°52.8°
OAGSBINARH1075.7°127.3°
CAMCANCBCH9180.0°179.8°
CANCAMCAZH8180.0°179.9°
CAMCANCBCSBI179.8°179.9°
CAMCANCBCCAO0.9°0.2°
CANCAMCAZOAT179.0°180.0°
CANCAMCAZCBA1.2°0.1°
CBCCANCAMCAZ0.3°0.2°
CANCBCSBICAO179.0°179.7°
CANCBCSBIOAH160.5°23.5°
CANCBCSBINAR75.2°90.0°
CANCBCCAOCBA1.2°0.0°
CANCBCCAOH4178.8°180.0°
CBCCANCAMH8179.7°179.7°
CAMCAZOATCAB106.4°0.1°
CAMCAZOATCBA177.9°179.9°
CAMCAZCBACAO0.9°0.3°
CAMCAZCBAOAU179.4°180.0°
CAZCAMCANH9179.7°180.0°
CABOATCAZCBA71.5°180.0°
OATCABH5H6120.0°120.0°
OATCABH5H7120.0°120.0°
OATCABH6H7120.0°120.0°
CBCSBIOAHNAR123.6°114.1°
SBICBCCAOCBA179.9°179.7°
CBCSBINARCAY79.4°60.7°
SBICBCCAOH40.1°0.3°
SBICBCCANH90.2°0.2°
CBCSBINARH1042.4°119.2°
OAHSBICBCCAO18.4°156.8°
OAHSBINARCAY43.3°174.3°
OAHSBINARH10165.1°5.7°
NARSBICBCCAO105.8°89.6°
SBINARCAYH10121.8°179.9°
SBINARCAYCAP51.9°35.6°
SBINARCAYCBB127.7°144.7°
CBCCAOCBACAZ0.3°0.3°
CBCCAOCBAH4180.0°180.0°
CBCCAOCBAOAU179.4°180.0°
CAOCBCCANH9179.1°179.9°
OATCAZCBACAO178.8°179.8°
OATCAZCBAOAU1.5°0.1°
CAZOATCABH5180.0°60.0°
CAZOATCABH660.0°180.0°
CAZOATCABH760.0°60.0°
OATCAZCAMH81.0°0.1°
CAZCBACAOOAU179.7°179.7°
CAZCBAOAUCAC149.5°179.7°
CAZCBACAOH4179.7°179.7°
CBACAZCAMH8178.8°180.0°
CAOCBAOAUCAC30.8°0.1°
CBAOAUCACH1180.0°60.0°
CBAOAUCACH260.0°60.0°
CBAOAUCACH360.0°180.0°
OAUCBACAOH40.6°0.1°
NARCAYCAPCBB179.6°179.7°
NARCAYCBBOAV0.5°0.1°
NARCAYCAPCBE179.6°180.0°
NARCAYCBBCAQ179.8°179.8°
NARCAYCAPH110.4°0.0°
OAUCACH1H2120.0°120.0°
OAUCACH1H3120.0°120.0°
OAUCACH2H3120.0°120.0°
CALCAJCAWH24180.0°179.6°
CAJCALCAXH25180.0°179.4°
CALCAJCAWOAS179.2°179.7°
CALCAJCAWCAI1.6°0.2°
CAJCALCAXOAV178.3°179.8°
CAJCALCAXCAK0.3°0.6°
CAWCAJCALCAX1.1°0.5°
CAJCAWOASCAI179.2°179.9°
CAJCAWOASCAA147.2°0.1°
CAJCAWCAICAK1.3°0.0°
CAJCAWCAIH20178.7°180.0°
CAWCAJCALH25178.9°179.9°
CALCAXOAVCAK178.5°179.7°
CALCAXOAVCBB164.4°112.8°
CALCAXCAKCAI0.0°0.3°
CALCAXCAKH19180.0°179.7°
CAXCALCAJH24178.9°179.9°
CAPCAYCBBOAV179.1°179.7°
CAYCAPCBEH11180.0°180.0°
CAPCAYCBBCAQ0.2°0.5°
CAYCAPCBECBF0.3°0.0°
CAYCAPCBENBG177.9°180.0°
CAPCAYNARH10173.7°144.5°
CAYCBBOAVCAX100.4°174.1°
CAYCBBOAVCAQ179.3°179.8°
CBBCAYCAPCBE0.0°0.2°
CAYCBBCAQCBF0.8°0.5°
CBBCAYNARH105.9°35.3°
CBBCAYCAPH11180.0°179.7°
CAYCBBCAQH18179.2°179.7°
OASCAWCAICAK179.5°180.0°
OASCAWCAIH200.5°0.1°
CAWOASCAAH21180.0°60.0°
CAWOASCAAH2260.0°60.0°
CAWOASCAAH2360.0°180.0°
OASCAWCAJH240.8°0.1°
CAAOASCAWCAI33.6°180.0°
OASCAAH21H22120.0°120.0°
OASCAAH21H23120.0°120.0°
OASCAAH22H23120.0°120.0°
CAWCAICAKCAX0.6°0.0°
CAWCAICAKH20180.0°179.9°
CAWCAICAKH19179.5°180.0°
CAICAWCAJH24178.4°179.8°
OAVCAXCAKCAI178.4°180.0°
CAXOAVCBBCAQ78.9°6.1°
OAVCAXCAKH191.5°0.1°
OAVCAXCALH251.7°0.4°
CBBOAVCAXCAK17.1°67.6°
OAVCBBCAQCBF178.5°179.7°
OAVCBBCAQH181.5°0.1°
CAXCAKCAIH19180.0°180.0°
CAXCAKCAIH20179.4°180.0°
CAKCAXCALH25179.7°180.0°
CAPCBECBFNBG178.6°179.9°
CAPCBECBFCAQ0.9°0.0°
CAPCBENBGCAD3.7°0.1°
CAPCBECBFNBH180.0°179.9°
CAPCBENBGCBD179.9°180.0°
CBBCAQCBFCBE1.1°0.2°
CBBCAQCBFH18180.0°179.8°
CBBCAQCBFNBH180.0°179.8°
CBECBFCAQNBH178.8°179.9°
CBFCBENBGCAD177.9°180.0°
CBFCBENBGCBD1.5°0.0°
CBECBFNBHCBD0.7°0.1°
CBECBFNBHCAE179.4°179.9°
CBFCBECAPH11179.7°180.0°
CBECBFCAQH18178.9°180.0°
NBGCBECBFCAQ177.7°180.0°
CBENBGCADCBD175.8°179.9°
NBGCBECBFNBH1.4°0.0°
CBENBGCBDNBH1.1°0.1°
CBENBGCBDOAF180.0°179.9°
NBGCBECAPH112.1°0.1°
CBENBGCADH12180.0°90.0°
CBENBGCADH1360.0°150.0°
CBENBGCADH1460.0°30.0°
CAQCBFNBHCBD178.2°180.0°
CAQCBFNBHCAE0.4°0.1°
CADNBGCBDNBH177.5°180.0°
CADNBGCBDOAF3.6°0.1°
NBGCADH12H13120.0°120.0°
NBGCADH12H14120.0°120.1°
NBGCADH13H14120.0°120.0°
CBFNBHCBDNBG0.2°0.1°
CBFNBHCBDCAE178.8°179.8°
CBFNBHCBDOAF179.1°179.9°
CBFNBHCAEH15180.0°180.0°
CBFNBHCAEH1660.0°59.9°
CBFNBHCAEH1760.0°60.1°
NBHCBFCAQH180.0°0.1°
NBGCBDNBHOAF178.9°179.8°
NBGCBDNBHCAE178.5°179.9°
CBDNBGCADH124.2°89.9°
CBDNBGCADH13124.2°30.0°
CBDNBGCADH14115.8°150.0°
CBDNBHCAEH151.5°0.2°
CBDNBHCAEH16121.6°119.9°
CBDNBHCAEH17118.4°120.1°
CAENBHCBDOAF0.4°0.2°
NBHCAEH15H16120.0°120.0°
NBHCAEH15H17120.0°119.9°
NBHCAEH16H17120.0°120.0°
H1CACH2H3120.0°120.0°
H5CABH6H7120.0°120.0°
H8CAMCANH90.3°0.1°
H12CADH13H14120.0°120.0°
H15CAEH16H17120.0°120.0°
H19CAKCAIH200.5°0.0°
H21CAAH22H23120.0°120.0°
H24CAJCALH251.1°0.5°

227344

PDB entries from 2024-11-13

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