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2XS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAZCBAdoub1.32Å1.36Å
CAZCAYsing1.56Å1.53Å
CBACBBsing1.53Å1.53Å
CAYCAUsing1.58Å1.55Å
CAYCBCsing1.57Å1.56Å
CAUCAVsing1.56Å1.56Å
CAUCAXsing1.51Å1.52Å
CBCCBBsing1.57Å1.56Å
CBBCAVsing1.56Å1.55Å
OBDCAXdoub1.21Å1.23Å
CAVCAWsing1.51Å1.53Å
CAXNATsing1.34Å1.42Å
NATCAWsing1.34Å1.42Å
NATCAPsing1.40Å1.41Å
CAWOBEdoub1.21Å1.23Å
CAPCAQdoub1.39Å1.41ÅAromatic
CAPCAOsing1.39Å1.41ÅAromatic
CAQCARsing1.38Å1.39ÅAromatic
CAOCASdoub1.38Å1.39ÅAromatic
CARCANdoub1.40Å1.40ÅAromatic
CASCANsing1.40Å1.40ÅAromatic
CAHNAGdoub1.31Å1.32ÅAromatic
CAHCAIsing1.39Å1.43ÅAromatic
CANCALsing1.48Å1.49Å
NAGCAFsing1.34Å1.39ÅAromatic
CAICAJdoub1.37Å1.37ÅAromatic
NAKCALsing1.35Å1.39Å
NAKCAEsing1.40Å1.40Å
CALOAMdoub1.22Å1.25Å
CAFCAEdoub1.41Å1.46ÅAromatic
CAFCAAsing1.42Å1.43ÅAromatic
CAJCAAsing1.41Å1.43ÅAromatic
CAECADsing1.38Å1.40ÅAromatic
CAACABdoub1.40Å1.42ÅAromatic
CADCACdoub1.39Å1.41ÅAromatic
CABCACsing1.36Å1.37ÅAromatic
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
CBAH16sing1.08Å1.08Å
CAZH18sing1.08Å1.08Å
CAYH20sing1.09Å1.10Å
CAUH21sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBACAZCAY107.6°108.1°
CAZCBACBB107.8°108.4°
CAZCBAH16126.1°125.8°
CBACAZH18126.2°125.8°
CAZCAYCAU105.0°103.3°
CAZCAYCBC98.9°99.8°
CAYCAZH18126.2°126.2°
CAZCAYH20116.8°116.3°
CBACBBCBC99.7°100.6°
CBACBBCAV104.5°104.2°
CBACBBH13116.8°116.3°
CBBCBAH16126.1°125.8°
CAUCAYCBC101.0°100.8°
CAYCAUCAV104.1°102.6°
CAYCAUCAX111.9°108.6°
CAUCAYH20116.4°116.2°
CAYCAUH21111.8°113.3°
CAYCBCCBB94.0°93.3°
CAYCBCH14113.2°112.6°
CAYCBCH15113.2°112.6°
CBCCAYH20116.1°117.8°
CAVCAUCAX104.7°103.3°
CAUCAVCBB102.9°104.3°
CAUCAVCAW104.7°103.3°
CAUCAVH12111.4°113.6°
CAVCAUH21111.6°114.3°
CAUCAXOBD125.5°125.3°
CAUCAXNAT110.0°109.5°
CAXCAUH21112.2°113.8°
CBCCBBCAV101.0°100.5°
CBCCBBH13116.0°116.6°
CBBCBCH14113.2°112.5°
CBBCBCH15113.2°112.5°
CBBCAVCAW113.8°108.3°
CBBCAVH12111.6°113.2°
CAVCBBH13116.3°116.2°
OBDCAXNAT124.5°125.3°
CAVCAWNAT109.6°109.4°
CAVCAWOBE126.5°125.3°
CAWCAVH12111.9°113.3°
CAXNATCAW110.9°114.6°
CAXNATCAP124.8°122.7°
CAWNATCAP124.2°122.7°
NATCAWOBE123.8°125.3°
NATCAPCAQ121.0°119.9°
NATCAPCAO120.0°119.9°
CAQCAPCAO119.0°120.2°
CAPCAQCAR120.5°120.1°
CAPCAQH11119.7°120.0°
CAPCAOCAS119.7°120.0°
CAPCAOH9120.1°120.0°
CAQCARCAN120.0°119.9°
CAQCARH10120.0°120.0°
CARCAQH11119.8°119.9°
CAOCASCAN120.8°120.0°
CAOCASH8119.5°120.0°
CASCAOH9120.1°120.0°
CARCANCAS119.8°119.8°
CARCANCAL123.6°120.1°
CANCARH10120.0°120.1°
CASCANCAL116.6°120.1°
CANCASH8119.6°120.0°
NAGCAHCAI123.6°121.7°
CAHNAGCAF118.8°121.3°
NAGCAHH1118.2°119.1°
CAHCAICAJ118.4°120.0°
CAICAHH1118.2°119.2°
CAHCAIH2120.8°120.0°
CANCALNAK114.9°120.0°
CANCALOAM120.9°120.0°
NAGCAFCAE120.0°121.1°
NAGCAFCAA121.4°119.9°
CAICAJCAA120.0°118.2°
CAJCAIH2120.8°120.0°
CAICAJH3120.0°121.0°
CALNAKCAE128.8°120.0°
NAKCALOAM124.1°120.0°
CALNAKH7115.6°120.0°
NAKCAECAF117.0°120.3°
NAKCAECAD124.3°120.2°
CAENAKH7115.6°120.0°
CAECAFCAA118.5°119.0°
CAFCAECAD118.6°119.5°
CAFCAACAJ117.8°118.9°
CAFCAACAB120.6°119.8°
CAJCAACAB121.6°121.3°
CAACAJH3120.0°120.9°
CAECADCAC121.4°120.8°
CAECADH6119.3°119.6°
CAACABCAC119.7°119.9°
CAACABH4120.1°120.1°
CADCACCAB121.1°121.0°
CADCACH5119.4°119.6°
CACCADH6119.3°119.6°
CACCABH4120.1°120.0°
CABCACH5119.4°119.5°
H14CBCH15109.5°112.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBACAZCAYH18180.0°179.4°
CAZCBACBBH16180.0°179.9°
CBACAZCAYCAU67.5°71.0°
CBACAZCAYCBC36.5°32.7°
CAZCBACBBCBC31.1°33.6°
CAZCBACBBCAV73.0°70.2°
CAZCBACBBH13156.9°160.5°
CBACAZCAYH20161.9°160.4°
CAYCAZCBACBB3.3°0.5°
CAZCAYCAUCBC102.5°102.9°
CAZCAYCAUH20130.8°128.6°
CAZCAYCBCH20125.9°126.8°
CAZCAYCAUCAV68.3°66.9°
CAZCAYCAUCAX179.1°175.8°
CAZCAYCBCCBB51.9°48.7°
CAZCAYCBCH1465.5°164.7°
CAZCAYCBCH15169.3°67.4°
CAYCAZCBAH16176.7°179.6°
CAZCAYCAUH2152.3°56.8°
CBACBBCBCCAY50.2°49.6°
CBACBBCAVCAU66.1°67.2°
CBACBBCBCCAV107.0°106.7°
CBACBBCBCH13126.3°126.8°
CBACBBCAVH13130.3°129.4°
CBACBBCAVCAW178.8°176.7°
CBACBBCAVH1253.4°56.8°
CBACBBCBCH1467.2°165.7°
CBACBBCBCH15167.5°66.6°
CBBCBACAZH18176.7°180.0°
CAUCAYCBCH20126.9°127.6°
CAYCAUCAVCAX117.6°112.8°
CAYCAUCAVH21120.7°123.0°
CAYCAUCAXH21126.6°127.1°
CAUCAYCBCCBB55.4°57.0°
CAYCAUCAVCBB1.8°0.5°
CAYCAUCAXOBD67.8°70.7°
CAYCAUCAVCAW117.5°112.6°
CAYCAUCAXNAT111.8°108.0°
CAYCAUCAVH12121.4°124.3°
CAUCAYCBCH14172.8°59.1°
CAUCAYCBCH1562.0°173.0°
CAUCAYCAZH18112.5°109.5°
CBCCAYCAUCAV34.1°35.9°
CBCCAYCAUCAX78.4°72.9°
CAYCBCCBBH14117.3°116.1°
CAYCBCCBBH15117.3°116.2°
CAYCBCCBBCAV56.8°57.2°
CAYCBCCBBH13176.5°176.4°
CAYCBCH14H15127.2°128.2°
CBCCAYCAZH18143.5°146.8°
CBCCAYCAUH21154.8°159.6°
CAVCAUCAXH21121.3°124.5°
CAUCAVCBBCBC37.0°36.7°
CAUCAVCBBCAW112.6°109.5°
CAUCAVCBBH12119.5°124.0°
CAVCAUCAXOBD180.0°179.1°
CAUCAVCAWH12120.8°123.3°
CAVCAUCAXNAT0.4°0.3°
CAUCAVCAWNAT0.1°0.1°
CAUCAVCAWOBE179.8°180.0°
CAUCAVCBBH13163.6°163.5°
CAVCAUCAYH20160.9°164.5°
CAXCAUCAVCBB119.4°113.3°
CAUCAXOBDNAT179.5°178.6°
CAXCAUCAVCAW0.2°0.2°
CAUCAXNATCAW0.5°0.3°
CAUCAXNATCAP179.9°179.9°
CAXCAUCAVH12120.9°122.9°
CAXCAUCAYH2048.3°55.6°
CBCCBBCAVH13126.5°126.7°
CBCCBBCAVCAW75.6°72.8°
CBCCBBCAVH12156.6°160.7°
CBBCBCH14H15127.3°127.9°
CBCCBBCBAH16148.9°146.5°
CBBCBCCAYH20177.8°175.5°
CBBCAVCAWH12127.7°126.5°
CBBCAVCAWNAT111.5°110.2°
CBBCAVCAWOBE68.2°69.8°
CAVCBBCBCH14174.2°58.9°
CAVCBBCBCH1560.5°173.3°
CAVCBBCBAH16107.0°109.8°
CBBCAVCAUH21118.9°122.5°
OBDCAXNATCAW180.0°179.1°
OBDCAXNATCAP0.3°1.1°
OBDCAXCAUH2158.8°56.4°
CAVCAWNATCAX0.4°0.2°
CAVCAWNATOBE179.7°179.9°
CAVCAWNATCAP180.0°180.0°
CAWCAVCBBH1350.9°54.0°
CAWCAVCAUH21121.8°124.4°
CAXNATCAWCAP179.7°179.8°
CAXNATCAWOBE179.9°179.8°
CAXNATCAPCAQ88.7°124.5°
CAXNATCAPCAO91.7°55.8°
NATCAXCAUH21121.7°124.8°
CAWNATCAPCAQ91.7°55.3°
CAWNATCAPCAO87.9°124.4°
NATCAWCAVH12120.9°123.3°
CAPNATCAWOBE0.3°0.0°
NATCAPCAQCAO179.6°179.7°
NATCAPCAQCAR179.9°180.0°
NATCAPCAOCAS179.8°180.0°
NATCAPCAOH90.2°0.0°
NATCAPCAQH110.1°0.0°
OBECAWCAVH1259.4°56.7°
CAPCAQCARH11180.0°179.9°
CAQCAPCAOCAS0.1°0.3°
CAPCAQCARCAN0.4°0.0°
CAQCAPCAOH9179.8°179.7°
CAPCAQCARH10179.6°179.9°
CAOCAPCAQCAR0.2°0.3°
CAPCAOCASH9180.0°180.0°
CAPCAOCASCAN0.2°0.0°
CAPCAOCASH8179.8°179.9°
CAOCAPCAQH11179.8°179.7°
CAQCARCANH10180.0°179.9°
CAQCARCANCAS0.5°0.3°
CAQCARCANCAL179.5°180.0°
CAOCASCANCAR0.4°0.3°
CAOCASCANH8180.0°179.9°
CAOCASCANCAL179.5°180.0°
CARCANCASCAL179.1°179.7°
CARCANCALNAK50.1°0.3°
CARCANCALOAM130.4°179.7°
CARCANCASH8179.6°179.8°
CANCARCAQH11179.6°180.0°
CASCANCALNAK128.9°180.0°
CASCANCALOAM50.5°0.0°
CANCASCAOH9179.7°180.0°
CASCANCARH10179.5°179.8°
NAGCAHCAIH1180.0°180.0°
NAGCAHCAICAJ0.0°0.0°
CAHNAGCAFCAE179.8°179.9°
CAHNAGCAFCAA0.4°0.2°
NAGCAHCAIH2180.0°179.9°
CAICAHNAGCAF0.2°0.0°
CAHCAICAJH2180.0°179.9°
CAHCAICAJCAA0.1°0.3°
CAHCAICAJH3179.9°180.0°
CANCALNAKOAM179.4°180.0°
CANCALNAKCAE178.2°174.4°
CANCALNAKH71.7°5.7°
CALCANCASH80.5°0.1°
CALCANCARH100.5°0.1°
NAGCAFCAENAK1.2°0.3°
NAGCAFCAECAA179.8°179.7°
NAGCAFCAACAJ0.4°0.5°
NAGCAFCAECAD179.4°179.8°
NAGCAFCAACAB179.8°179.7°
CAFNAGCAHH1179.8°180.0°
CAICAJCAACAF0.2°0.5°
CAICAJCAAH3180.0°179.7°
CAICAJCAACAB180.0°179.7°
CAJCAICAHH1180.0°180.0°
CALNAKCAEH7180.0°179.9°
CALNAKCAECAF169.0°155.1°
CALNAKCAECAD9.1°24.9°
CAENAKCALOAM1.2°5.6°
NAKCAECAFCAD178.2°180.0°
NAKCAECAFCAA178.6°180.0°
NAKCAECADCAC178.6°180.0°
NAKCAECADH61.4°0.0°
OAMCALNAKH7178.8°174.4°
CAECAFCAACAJ179.8°179.8°
CAECAFCAACAB0.0°0.0°
CAFCAECADCAC0.5°0.1°
CAFCAECADH6179.5°180.0°
CAFCAENAKH711.0°24.8°
CAFCAACAJCAB179.7°179.8°
CAACAFCAECAD0.4°0.1°
CAFCAACABCAC0.4°0.0°
CAFCAACAJH3179.7°179.8°
CAFCAACABH4179.6°179.9°
CAJCAACABCAC179.8°179.7°
CAACAJCAIH2180.0°179.8°
CAJCAACABH40.2°0.2°
CAECADCACH6180.0°180.0°
CAECADCACCAB0.1°0.1°
CAECADCACH5179.8°180.0°
CADCAENAKH7170.9°155.2°
CAACABCACCAD0.3°0.0°
CAACABCACH4180.0°179.9°
CABCAACAJH30.0°0.0°
CAACABCACH5179.7°180.0°
CADCACCABH5180.0°180.0°
CADCACCABH4179.7°179.9°
CABCACCADH6179.8°180.0°
H1CAHCAIH20.0°0.1°
H2CAICAJH30.0°0.1°
H4CABCACH50.3°0.1°
H5CACCADH60.2°0.0°
H8CASCAOH90.3°0.1°
H10CARCAQH110.4°0.1°
H12CAVCBBH1376.9°72.6°
H12CAVCAUH210.7°1.2°
H13CBBCBCH1459.1°67.5°
H13CBBCBCH1566.2°60.2°
H13CBBCBAH1623.1°19.5°
H14CBCCAYH2060.4°68.5°
H15CBCCAYH2064.9°59.4°
H16CBACAZH183.3°0.1°
H18CAZCAYH2018.1°19.0°
H20CAYCAUH2178.5°71.8°

222415

PDB entries from 2024-07-10

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