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IWR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OBECAWdoub1.21Å1.21Å
CBBCAVsing1.56Å1.53Å
CBBCBAsing1.53Å1.54Å
CBBCBCsing1.57Å1.51Å
CAWCAVsing1.51Å1.53Å
CAWNATsing1.34Å1.33Å
CAVCAUsing1.56Å1.53Å
CBACAZdoub1.32Å1.52Å
CBCCAYsing1.57Å1.51Å
NATCAPsing1.40Å1.34Å
NATCAXsing1.34Å1.34Å
CAUCAYsing1.56Å1.53Å
CAUCAXsing1.51Å1.53Å
CAPCAQdoub1.39Å1.39ÅAromatic
CAPCAOsing1.39Å1.39ÅAromatic
CAQCARsing1.38Å1.39ÅAromatic
CAZCAYsing1.53Å1.54Å
CAOCASdoub1.38Å1.39ÅAromatic
CARCANdoub1.40Å1.38ÅAromatic
CAXOBDdoub1.21Å1.23Å
OAMCALdoub1.22Å1.23Å
CASCANsing1.40Å1.38ÅAromatic
CANCALsing1.48Å1.52Å
CALNAKsing1.35Å1.35Å
NAKCAEsing1.40Å1.36Å
CADCAEdoub1.38Å1.40ÅAromatic
CADCACsing1.39Å1.39ÅAromatic
CAECAFsing1.41Å1.40ÅAromatic
CACCABdoub1.36Å1.40ÅAromatic
CAFNAGdoub1.33Å1.36ÅAromatic
CAFCAAsing1.42Å1.40ÅAromatic
CABCAAsing1.40Å1.40ÅAromatic
NAGCAHsing1.31Å1.33ÅAromatic
CAACAJdoub1.41Å1.39ÅAromatic
CAHCAIdoub1.39Å1.40ÅAromatic
CAJCAIsing1.37Å1.39ÅAromatic
CAHH1sing1.08Å1.08Å
CAIH2sing1.08Å1.08Å
CAJH3sing1.08Å1.08Å
CABH4sing1.08Å1.08Å
CACH5sing1.08Å1.08Å
CADH6sing1.08Å1.08Å
NAKH7sing0.97Å1.00Å
CASH8sing1.08Å1.08Å
CAOH9sing1.08Å1.08Å
CARH10sing1.08Å1.08Å
CAQH11sing1.08Å1.08Å
CAVH12sing1.09Å1.10Å
CBBH13sing1.09Å1.10Å
CBCH14sing1.09Å1.10Å
CBCH15sing1.09Å1.10Å
CBAH17sing1.08Å1.08Å
CAZH18sing1.08Å1.08Å
CAYH20sing1.09Å1.10Å
CAUH21sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBECAWCAV122.9°125.3°
OBECAWNAT124.5°125.2°
CAVCBBCBA112.0°104.2°
CAVCBBCBC99.6°100.5°
CBBCAVCAW112.8°108.3°
CBBCAVCAU103.7°103.5°
CBBCAVH12109.1°114.0°
CAVCBBH13111.6°116.3°
CBACBBCBC100.5°99.8°
CBBCBACAZ103.1°108.4°
CBACBBH13110.9°116.3°
CBBCBAH17128.5°125.8°
CBBCBCCAY94.9°93.3°
CBCCBBH13121.5°117.3°
CBBCBCH14114.6°112.5°
CBBCBCH15114.6°112.5°
CAVCAWNAT112.5°109.4°
CAWCAVCAU102.7°103.3°
CAWCAVH12110.0°113.3°
CAWNATCAP127.1°122.7°
CAWNATCAX110.1°114.5°
CAVCAUCAY102.7°103.5°
CAVCAUCAX102.3°103.3°
CAUCAVH12118.3°113.5°
CAVCAUH21118.8°113.5°
CBACAZCAY103.4°108.4°
CAZCBAH17128.5°125.8°
CBACAZH18128.3°125.8°
CBCCAYCAU99.5°100.5°
CBCCAYCAZ101.4°99.9°
CAYCBCH14114.7°112.5°
CAYCBCH15114.7°112.5°
CBCCAYH20120.9°116.6°
CAPNATCAX122.8°122.7°
NATCAPCAQ119.8°119.9°
NATCAPCAO121.4°120.0°
NATCAXCAU112.4°109.5°
NATCAXOBD125.7°125.2°
CAYCAUCAX112.0°108.5°
CAUCAYCAZ111.4°104.1°
CAUCAYH20112.2°116.9°
CAYCAUH21110.2°113.3°
CAUCAXOBD121.8°125.3°
CAXCAUH21110.5°113.8°
CAQCAPCAO118.7°120.1°
CAPCAQCAR120.3°120.1°
CAPCAQH11119.8°119.9°
CAPCAOCAS120.9°120.1°
CAPCAOH9119.5°119.9°
CAQCARCAN120.7°119.9°
CAQCARH10119.6°120.1°
CARCAQH11119.9°119.9°
CAYCAZH18128.3°125.8°
CAZCAYH20110.6°116.2°
CAOCASCAN120.0°119.9°
CAOCASH8120.0°120.0°
CASCAOH9119.5°120.0°
CARCANCAS119.3°119.8°
CARCANCAL119.7°120.0°
CANCARH10119.7°120.1°
OAMCALCAN120.1°120.0°
OAMCALNAK125.0°120.0°
CASCANCAL121.0°120.1°
CANCASH8120.0°120.0°
CANCALNAK114.3°120.0°
CALNAKCAE125.7°120.0°
CALNAKH7117.1°120.0°
NAKCAECAD123.8°120.2°
NAKCAECAF117.1°120.3°
CAENAKH7117.1°120.0°
CAECADCAC120.7°120.8°
CADCAECAF119.1°119.5°
CAECADH6119.6°119.6°
CADCACCAB119.9°121.0°
CADCACH5120.0°119.5°
CACCADH6119.7°119.5°
CAECAFNAG119.9°121.0°
CAECAFCAA120.3°119.1°
CACCABCAA119.6°119.9°
CACCABH4120.2°120.1°
CABCACH5120.0°119.5°
NAGCAFCAA119.9°119.9°
CAFNAGCAH122.0°121.3°
CAFCAACAB120.3°119.7°
CAFCAACAJ119.1°119.0°
CABCAACAJ120.6°121.3°
CAACABH4120.2°120.0°
NAGCAHCAI120.2°121.7°
NAGCAHH1119.9°119.2°
CAACAJCAI119.4°118.1°
CAACAJH3120.3°120.9°
CAHCAICAJ119.3°119.9°
CAICAHH1119.9°119.1°
CAHCAIH2120.3°120.1°
CAJCAIH2120.4°120.0°
CAICAJH3120.3°121.0°
H14CBCH15103.8°112.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBECAWCAVCBB68.0°70.7°
OBECAWCAVNAT179.5°180.0°
OBECAWCAVCAU179.0°179.9°
OBECAWNATCAP3.6°0.1°
OBECAWNATCAX179.0°179.7°
OBECAWCAVH1254.1°56.7°
CAVCBBCBACBC105.0°103.5°
CAVCBBCBAH13125.4°129.3°
CAVCBBCBCH13122.8°127.0°
CBBCAVCAWCAU111.0°109.3°
CBBCAVCAWH12122.2°127.4°
CBBCAVCAWNAT111.5°109.3°
CBBCAVCAUH12121.0°124.1°
CAVCBBCBACAZ67.2°70.2°
CAVCBBCBCCAY57.5°57.1°
CBBCAVCAUCAY1.7°0.0°
CBBCAVCAUCAX118.0°113.0°
CAVCBBCBCH14177.6°173.2°
CAVCBBCBCH1562.5°58.9°
CAVCBBCBAH17112.8°109.7°
CBBCAVCAUH21120.1°123.3°
CBACBBCBCH13122.6°126.5°
CBACBBCAVCAW39.7°42.5°
CBACBBCAVCAU70.7°66.6°
CBBCBACAZH17180.0°180.0°
CBACBBCBCCAY57.1°49.4°
CBBCBACAZCAY3.0°0.0°
CBACBBCAVH12162.3°169.5°
CBACBBCBCH1462.9°66.7°
CBACBBCBCH15177.1°165.4°
CBBCBACAZH18177.0°180.0°
CBCCBBCAVCAW145.2°145.6°
CBCCBBCAVCAU34.8°36.4°
CBCCBBCBACAZ37.8°33.3°
CBBCBCCAYH14120.0°116.0°
CBBCBCCAYH15120.0°116.0°
CBBCBCCAYCAU58.9°57.1°
CBBCBCCAYCAZ55.3°49.4°
CBCCBBCAVH1292.2°87.4°
CBBCBCH14H15125.8°128.0°
CBCCBBCBAH17142.2°146.7°
CBBCBCCAYH20178.0°175.5°
CAWCAVCAUH12121.4°123.1°
CAVCAWNATCAP176.8°180.0°
CAVCAWNATCAX0.5°0.3°
CAWCAVCAUCAY115.9°112.9°
CAWCAVCAUCAX0.3°0.2°
CAWCAVCBBH1385.3°86.8°
CAWCAVCAUH21122.2°123.9°
NATCAWCAVCAU0.5°0.0°
CAWNATCAPCAX177.1°179.7°
CAWNATCAXCAU0.3°0.4°
CAWNATCAPCAQ84.7°114.5°
CAWNATCAPCAO98.2°65.3°
CAWNATCAXOBD178.4°179.7°
NATCAWCAVH12126.3°123.3°
CAVCAUCAYCBC37.6°36.3°
CAVCAUCAXNAT0.0°0.4°
CAVCAUCAYCAX109.1°109.2°
CAVCAUCAYH21127.5°123.4°
CAVCAUCAXH21127.4°123.5°
CAVCAUCAYCAZ68.7°66.7°
CAVCAUCAXOBD178.2°179.8°
CAUCAVCBBH13164.3°164.0°
CAVCAUCAYH20166.6°163.5°
CBACAZCAYCBC32.8°33.3°
CBACAZCAYCAU72.3°70.2°
CBACAZCAYH18180.0°180.0°
CAZCBACBBH13167.5°160.5°
CBACAZCAYH20162.2°159.6°
CBCCAYCAUCAZ106.3°103.1°
CBCCAYCAUH20129.1°127.2°
CBCCAYCAUCAX146.6°145.6°
CBCCAYCAZH20129.4°126.3°
CAYCBCCBBH13179.7°175.9°
CAYCBCH14H15125.9°128.1°
CBCCAYCAZH18147.2°146.7°
CBCCAYCAUH2189.9°87.1°
CAPNATCAXCAU177.2°179.8°
NATCAPCAQCAO177.2°179.8°
NATCAPCAQCAR177.8°180.0°
NATCAPCAOCAS178.3°180.0°
CAPNATCAXOBD0.9°0.0°
NATCAPCAOH91.7°0.0°
NATCAPCAQH112.2°0.1°
NATCAXCAUCAY109.3°109.0°
NATCAXCAUOBD178.2°179.9°
CAXNATCAPCAQ92.4°65.3°
CAXNATCAPCAO84.7°115.0°
NATCAXCAUH21127.5°123.9°
CAYCAUCAXH21123.3°127.1°
CAUCAYCAZH20125.5°130.1°
CAYCAUCAXOBD72.5°70.8°
CAYCAUCAVH12122.7°124.0°
CAUCAYCBCH14178.9°173.2°
CAUCAYCBCH1561.1°58.9°
CAUCAYCAZH18107.7°109.7°
CAXCAUCAYCAZ40.4°42.5°
CAXCAUCAVH12121.1°122.9°
CAXCAUCAYH2084.3°87.2°
CAPCAQCARH11180.0°179.9°
CAQCAPCAOCAS1.2°0.2°
CAPCAQCARCAN0.9°0.0°
CAQCAPCAOH9178.8°179.8°
CAPCAQCARH10179.1°179.9°
CAOCAPCAQCAR0.6°0.2°
CAPCAOCASH9180.0°180.0°
CAPCAOCASCAN0.2°0.0°
CAPCAOCASH8179.8°180.0°
CAOCAPCAQH11179.4°179.7°
CAQCARCANH10180.0°180.0°
CAQCARCANCAS2.0°0.3°
CAQCARCANCAL179.2°180.0°
CAZCAYCBCH1464.7°66.6°
CAZCAYCBCH15175.3°165.4°
CAYCAZCBAH17177.0°180.0°
CAZCAYCAUH21163.8°169.8°
CAOCASCANCAR1.4°0.3°
CAOCASCANH8180.0°180.0°
CAOCASCANCAL178.6°180.0°
CARCANCALOAM38.6°179.7°
CARCANCASCAL177.2°179.7°
CARCANCALNAK132.7°0.2°
CARCANCASH8178.6°179.8°
CANCARCAQH11179.0°180.0°
OBDCAXCAUH2150.7°56.3°
OAMCALCANCAS144.2°0.0°
OAMCALCANNAK171.3°179.9°
OAMCALNAKCAE6.3°4.5°
OAMCALNAKH7173.7°175.6°
CASCANCALNAK44.5°180.0°
CANCASCAOH9179.8°180.0°
CASCANCARH10178.1°179.7°
CANCALNAKCAE177.1°175.6°
CANCALNAKH72.9°4.3°
CALCANCASH81.4°0.0°
CALCANCARH100.8°0.0°
CALNAKCAEH7180.0°179.9°
CALNAKCAECAD12.4°34.7°
CALNAKCAECAF167.5°144.8°
NAKCAECADCAF179.9°179.5°
NAKCAECADCAC179.6°180.0°
NAKCAECAFNAG0.3°0.3°
NAKCAECAFCAA179.9°180.0°
NAKCAECADH60.4°0.6°
CAECADCACH6180.0°179.4°
CAECADCACCAB0.3°0.3°
CADCAECAFNAG179.6°179.8°
CADCAECAFCAA0.3°0.5°
CAECADCACH5179.7°179.7°
CADCAENAKH7167.6°145.4°
CACCADCAECAF0.3°0.6°
CADCACCABH5180.0°180.0°
CADCACCABCAA0.2°0.0°
CADCACCABH4179.9°179.9°
CAECAFNAGCAA179.9°179.7°
CAECAFCAACAB0.8°0.2°
CAECAFNAGCAH179.8°179.8°
CAECAFCAACAJ179.8°179.8°
CAFCAECADH6179.7°180.0°
CAFCAENAKH712.6°35.1°
CACCABCAACAF0.7°0.0°
CACCABCAAH4180.0°179.9°
CACCABCAACAJ179.8°180.0°
CABCACCADH6179.7°179.7°
NAGCAFCAACAB179.1°180.0°
NAGCAFCAACAJ0.0°0.0°
CAFNAGCAHCAI0.3°0.0°
CAFNAGCAHH1179.7°180.0°
CAFCAACABCAJ179.1°180.0°
CAACAFNAGCAH0.0°0.0°
CAFCAACAJCAI0.3°0.1°
CAFCAACAJH3179.7°180.0°
CAFCAACABH4179.3°180.0°
CABCAACAJCAI179.4°179.9°
CABCAACAJH30.6°0.0°
CAACABCACH5179.8°180.0°
NAGCAHCAIH1180.0°180.0°
NAGCAHCAICAJ0.6°0.1°
NAGCAHCAIH2179.4°180.0°
CAACAJCAICAH0.6°0.1°
CAACAJCAIH3180.0°179.9°
CAACAJCAIH2179.5°180.0°
CAJCAACABH40.2°0.0°
CAHCAICAJH2180.0°179.9°
CAHCAICAJH3179.4°180.0°
CAJCAICAHH1179.4°179.9°
H1CAHCAIH20.6°0.0°
H2CAICAJH30.5°0.1°
H4CABCACH50.2°0.0°
H5CACCADH60.3°0.3°
H8CASCAOH90.2°0.0°
H10CARCAQH110.9°0.0°
H12CAVCBBH1337.4°40.2°
H12CAVCAUH210.9°0.8°
H13CBBCBCH1459.7°59.8°
H13CBBCBCH1560.3°68.1°
H13CBBCBAH1712.5°19.6°
H14CBCCAYH2058.0°59.4°
H15CBCCAYH2062.1°68.5°
H17CBACAZH183.0°0.0°
H18CAZCAYH2017.8°20.4°
H20CAYCAUH2139.1°40.1°

223532

PDB entries from 2024-08-07

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