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85M

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBFCBGsing1.54Å1.56Å
CBFCBEsing1.54Å1.46Å
CBGNBCsing1.49Å1.25Å
CBECBDsing1.54Å1.31Å
NBCCBDsing1.49Å1.58Å
NBCCBBsing1.47Å1.17Å
CBBCBAsing1.53Å1.56Å
CBAOAZsing1.43Å1.44Å
OAZCAWsing1.36Å1.42Å
CAWCAVdoub1.39Å1.39ÅAromatic
CAWCAXsing1.39Å1.41ÅAromatic
CAVCAUsing1.38Å1.41ÅAromatic
CAXCAYdoub1.38Å1.41ÅAromatic
CAUCATdoub1.38Å1.40ÅAromatic
CAYCATsing1.38Å1.39ÅAromatic
CATCAIsing1.51Å1.55Å
OAGCACsing1.36Å1.41Å
CAQCAPdoub1.38Å1.38ÅAromatic
CAQCALsing1.38Å1.43ÅAromatic
CACCADdoub1.38Å1.41ÅAromatic
CACCABsing1.39Å1.42ÅAromatic
CAPCAOsing1.39Å1.41ÅAromatic
CADCAEsing1.39Å1.43ÅAromatic
CABCAAdoub1.38Å1.40ÅAromatic
CAJCAIsing1.53Å1.53Å
CAJCALsing1.51Å1.52Å
CAJCAKsing1.53Å1.55Å
CAIOAHsing1.43Å1.42Å
CAEOAHsing1.36Å1.43Å
CAECAFdoub1.38Å1.38ÅAromatic
CAACAFsing1.39Å1.44ÅAromatic
CALCAMdoub1.38Å1.40ÅAromatic
CAFCAKsing1.51Å1.52Å
CARCAKsing1.53Å1.49Å
CAOOASsing1.36Å1.42Å
CAOCANdoub1.39Å1.42ÅAromatic
CAMCANsing1.38Å1.40ÅAromatic
CBDH1sing1.09Å1.10Å
CBDH2sing1.09Å1.10Å
CBEH3sing1.09Å1.10Å
CBEH4sing1.09Å1.10Å
CBFH5sing1.09Å1.10Å
CBFH6sing1.09Å1.10Å
CBGH7sing1.09Å1.10Å
CBGH8sing1.09Å1.10Å
CBBH10sing1.09Å1.10Å
CBBH11sing1.09Å1.10Å
CBAH12sing1.09Å1.10Å
CBAH13sing1.09Å1.10Å
CAXH14sing1.08Å1.08Å
CAYH15sing1.08Å1.08Å
CAVH16sing1.08Å1.08Å
CAUH17sing1.08Å1.08Å
CAIH18sing1.09Å1.10Å
CADH19sing1.08Å1.08Å
OAGH20sing0.97Å0.95Å
CABH21sing1.08Å1.08Å
CAAH22sing1.08Å1.08Å
CAKH23sing1.09Å1.10Å
CARH24sing1.09Å1.10Å
CARH25sing1.09Å1.10Å
CARH26sing1.09Å1.10Å
CAJH27sing1.09Å1.10Å
CAMH28sing1.08Å1.08Å
CANH29sing1.08Å1.08Å
OASH30sing0.97Å0.95Å
CAPH31sing1.08Å1.08Å
CAQH32sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBGCBFCBE105.2°105.0°
CBFCBGNBC106.8°104.7°
CBGCBFH5110.5°110.3°
CBGCBFH6110.5°110.3°
CBFCBGH7110.2°110.4°
CBFCBGH8110.1°110.4°
CBFCBECBD105.7°105.1°
CBFCBEH3110.4°110.3°
CBFCBEH4110.4°110.4°
CBECBFH5110.5°110.4°
CBECBFH6110.6°110.3°
CBGNBCCBD108.6°104.1°
CBGNBCCBB110.6°111.0°
NBCCBGH7110.1°110.4°
NBCCBGH8110.1°110.4°
CBECBDNBC107.9°104.7°
CBECBDH1109.9°110.4°
CBECBDH2109.9°110.4°
CBDCBEH3110.4°110.3°
CBDCBEH4110.4°110.3°
CBDNBCCBB110.8°111.1°
NBCCBDH1109.9°110.4°
NBCCBDH2109.9°110.4°
NBCCBBCBA110.1°109.5°
NBCCBBH10109.3°109.5°
NBCCBBH11109.3°109.5°
CBBCBAOAZ106.6°109.4°
CBACBBH10109.3°109.5°
CBACBBH11109.3°109.4°
CBBCBAH12110.2°109.5°
CBBCBAH13110.2°109.5°
CBAOAZCAW116.0°117.0°
OAZCBAH12110.2°109.4°
OAZCBAH13110.2°109.5°
OAZCAWCAV118.9°120.1°
OAZCAWCAX120.8°120.1°
CAVCAWCAX120.3°119.9°
CAWCAVCAU119.5°119.9°
CAWCAVH16120.3°120.0°
CAWCAXCAY120.2°119.9°
CAWCAXH14119.9°120.0°
CAVCAUCAT120.4°120.1°
CAUCAVH16120.2°120.1°
CAVCAUH17119.8°120.0°
CAXCAYCAT119.5°120.1°
CAYCAXH14119.9°120.1°
CAXCAYH15120.3°119.9°
CAUCATCAY120.1°120.1°
CAUCATCAI118.3°119.9°
CATCAUH17119.8°120.0°
CAYCATCAI121.6°120.0°
CATCAYH15120.3°120.0°
CATCAICAJ103.9°109.6°
CATCAIOAH110.4°109.7°
CATCAIH18107.8°109.7°
OAGCACCAD119.7°120.1°
OAGCACCAB120.1°120.1°
CACOAGH20109.5°114.0°
CAPCAQCAL120.4°120.1°
CAQCAPCAO119.8°119.9°
CAQCAPH31120.1°120.0°
CAPCAQH32119.8°120.0°
CAQCALCAJ119.3°120.0°
CAQCALCAM119.7°120.1°
CALCAQH32119.8°120.0°
CADCACCAB120.2°119.8°
CACCADCAE119.6°120.2°
CACCADH19120.2°119.9°
CACCABCAA120.2°120.0°
CACCABH21119.9°120.0°
CAPCAOOAS119.8°120.0°
CAPCAOCAN120.0°119.9°
CAOCAPH31120.1°120.1°
CADCAEOAH119.6°118.5°
CADCAECAF120.0°119.8°
CAECADH19120.2°119.9°
CABCAACAF119.3°120.4°
CAACABH21119.9°120.0°
CABCAAH22120.4°119.8°
CAICAJCAL108.3°109.7°
CAICAJCAK113.7°108.3°
CAJCAIOAH116.5°108.4°
CAJCAIH18108.2°109.7°
CAICAJH27106.4°109.7°
CALCAJCAK115.0°109.7°
CAJCALCAM120.9°119.9°
CALCAJH27106.6°109.7°
CAJCAKCAF103.6°109.7°
CAJCAKCAR111.2°109.4°
CAJCAKH23110.3°109.4°
CAKCAJH27106.3°109.7°
CAIOAHCAE115.5°117.9°
OAHCAIH18109.6°109.7°
OAHCAECAF120.4°121.8°
CAECAFCAA120.7°119.8°
CAECAFCAK119.4°121.4°
CAACAFCAK119.9°118.7°
CAFCAAH22120.4°119.7°
CALCAMCAN119.9°120.0°
CALCAMH28120.1°120.0°
CAFCAKCAR109.7°109.5°
CAFCAKH23110.7°109.4°
CARCAKH23111.2°109.4°
CAKCARH24109.5°109.5°
CAKCARH25109.5°109.5°
CAKCARH26109.4°109.5°
OASCAOCAN120.3°120.1°
CAOOASH30109.5°114.0°
CAOCANCAM120.2°119.9°
CAOCANH29119.9°120.1°
CANCAMH28120.1°120.0°
CAMCANH29119.9°120.0°
H1CBDH2109.5°110.4°
H3CBEH4109.5°110.4°
H5CBFH6109.5°110.4°
H7CBGH8109.4°110.4°
H10CBBH11109.5°109.5°
H12CBAH13109.5°109.5°
H24CARH25109.5°109.4°
H24CARH26109.5°109.4°
H25CARH26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBGCBFCBEH5119.3°118.8°
CBGCBFCBEH6119.3°118.9°
CBFCBGNBCH7119.6°118.8°
CBFCBGNBCH8119.6°118.8°
CBGCBFCBECBD24.2°0.0°
CBFCBGNBCCBD4.7°39.4°
CBFCBGNBCCBB126.6°159.1°
CBGCBFCBEH395.2°118.9°
CBGCBFCBEH4143.6°118.9°
CBGCBFH5H6121.9°122.2°
CBFCBGH7H8121.2°122.4°
CBECBFCBGNBC17.5°23.9°
CBFCBECBDH3119.4°118.8°
CBFCBECBDH4119.4°119.0°
CBFCBECBDNBC21.6°23.8°
CBFCBECBDH1141.4°94.9°
CBFCBECBDH298.1°142.7°
CBFCBEH3H4121.8°122.3°
CBECBFH5H6122.0°122.2°
CBECBFCBGH7137.1°142.7°
CBECBFCBGH8102.1°94.9°
CBGNBCCBDCBE10.9°39.4°
CBGNBCCBDCBB121.7°119.6°
CBGNBCCBBCBA164.2°170.0°
CBGNBCCBDH1130.7°79.4°
CBGNBCCBDH2108.8°158.3°
NBCCBGCBFH5136.8°95.0°
NBCCBGCBFH6101.8°142.7°
NBCCBGH7H8121.2°122.3°
CBGNBCCBBH1044.1°50.0°
CBGNBCCBBH1175.7°70.0°
CBECBDNBCH1119.8°118.8°
CBECBDNBCH2119.8°118.9°
CBECBDNBCCBB110.7°159.0°
CBECBDH1H2120.7°122.4°
CBDCBEH3H4121.7°122.1°
CBDCBECBFH5143.5°118.8°
CBDCBECBFH695.1°118.9°
CBDNBCCBBCBA75.3°74.6°
NBCCBDH1H2120.7°122.4°
NBCCBDCBEH397.8°95.0°
NBCCBDCBEH4141.0°142.9°
CBDNBCCBGH7124.4°158.3°
CBDNBCCBGH8114.9°79.4°
CBDNBCCBBH10164.6°165.3°
CBDNBCCBBH1144.8°45.3°
NBCCBBCBAH10120.1°120.0°
NBCCBBCBAH11120.1°120.0°
NBCCBBCBAOAZ114.3°65.1°
CBBNBCCBDH19.0°40.2°
CBBNBCCBDH2129.5°82.1°
CBBNBCCBGH7113.8°82.1°
CBBNBCCBGH87.0°40.3°
NBCCBBH10H11119.7°120.0°
NBCCBBCBAH125.2°175.0°
NBCCBBCBAH13126.1°54.9°
CBBCBAOAZH12119.6°119.9°
CBBCBAOAZH13119.6°120.0°
CBBCBAOAZCAW164.0°180.0°
CBACBBH10H11119.7°120.0°
CBBCBAH12H13121.3°120.1°
CBAOAZCAWCAV128.7°180.0°
CBAOAZCAWCAX52.2°0.2°
OAZCBACBBH10125.6°55.0°
OAZCBACBBH115.8°175.0°
OAZCBAH12H13121.3°120.0°
OAZCAWCAVCAX179.0°179.8°
OAZCAWCAVCAU179.4°180.0°
OAZCAWCAXCAY179.4°179.9°
CAWOAZCBAH1244.5°60.1°
CAWOAZCBAH1376.4°60.0°
OAZCAWCAXH140.5°0.0°
OAZCAWCAVH160.6°0.0°
CAWCAVCAUH16180.0°180.0°
CAVCAWCAXCAY0.4°0.3°
CAWCAVCAUCAT0.1°0.1°
CAVCAWCAXH14179.6°179.8°
CAWCAVCAUH17179.9°180.0°
CAXCAWCAVCAU0.4°0.3°
CAWCAXCAYH14180.0°179.9°
CAWCAXCAYCAT0.1°0.0°
CAWCAXCAYH15179.9°180.0°
CAXCAWCAVH16179.6°179.8°
CAVCAUCATH17180.0°179.9°
CAVCAUCATCAY0.7°0.3°
CAVCAUCATCAI179.4°179.9°
CAXCAYCATCAU0.7°0.3°
CAXCAYCATH15180.0°180.0°
CAXCAYCATCAI179.3°179.9°
CAUCATCAYCAI178.6°179.7°
CAUCATCAICAJ27.0°78.6°
CAUCATCAIOAH98.6°40.3°
CAUCATCAYH15179.4°179.7°
CATCAUCAVH16179.8°179.9°
CAUCATCAIH18141.7°160.9°
CAYCATCAICAJ151.6°101.1°
CAYCATCAIOAH82.7°140.0°
CATCAYCAXH14179.9°179.9°
CAYCATCAUH17179.3°179.7°
CAYCATCAIH1837.0°19.4°
CATCAICAJOAH121.7°119.7°
CATCAICAJH18114.4°120.5°
CATCAICAJCAL83.3°55.9°
CATCAICAJCAK147.6°175.5°
CATCAIOAHH18118.6°120.6°
CATCAIOAHCAE97.0°168.9°
CAICATCAYH150.7°0.1°
CAICATCAUH170.7°0.0°
CATCAICAJH2730.9°64.7°
OAGCACCADCAB179.8°179.9°
OAGCACCADCAE179.8°180.0°
OAGCACCABCAA179.9°179.9°
OAGCACCADH190.2°0.1°
OAGCACCABH210.1°0.2°
CAPCAQCALH32180.0°179.4°
CAQCAPCAOH31180.0°179.8°
CAPCAQCALCAJ179.3°179.7°
CAPCAQCALCAM1.4°0.6°
CAQCAPCAOOAS179.9°179.7°
CAQCAPCAOCAN0.1°0.3°
CALCAQCAPCAO0.8°0.6°
CAQCALCAJCAI133.5°60.3°
CAQCALCAJCAM177.8°179.7°
CAQCALCAJCAK98.1°58.5°
CAQCALCAMCAN1.3°0.3°
CAQCALCAJH2719.3°179.1°
CAQCALCAMH28178.7°179.7°
CALCAQCAPH31179.2°179.6°
CACCADCAEH19180.0°179.9°
CADCACCABCAA0.1°0.0°
CACCADCAEOAH180.0°179.8°
CACCADCAECAF0.8°0.2°
CADCACOAGH20180.0°90.0°
CADCACCABH21179.9°179.9°
CABCACCADCAE0.3°0.1°
CACCABCAAH21180.0°179.9°
CACCABCAACAF0.3°0.1°
CABCACCADH19179.6°180.0°
CABCACOAGH200.2°89.9°
CACCABCAAH22179.7°180.0°
CAPCAOOASCAN179.9°180.0°
CAPCAOCANCAM0.0°0.0°
CAPCAOCANH29180.0°180.0°
CAPCAOOASH30180.0°90.0°
CAOCAPCAQH32179.2°180.0°
CADCAEOAHCAI144.2°162.8°
CADCAEOAHCAF179.1°180.0°
CADCAECAFCAA1.1°0.3°
CADCAECAFCAK179.9°179.5°
CABCAACAFCAE0.9°0.3°
CABCAACAFH22180.0°180.0°
CABCAACAFCAK179.6°179.6°
CAICAJCALCAK128.4°118.8°
CAICAJCALH27114.2°120.6°
CAICAJCAKH27116.7°119.7°
CAJCAIOAHH18123.2°119.8°
CAJCAIOAHCAE21.2°49.2°
CAICAJCALCAM44.3°120.1°
CAICAJCAKCAF55.0°48.2°
CAICAJCAKCAR172.7°168.3°
CAICAJCAKH2363.4°71.8°
CALCAJCAKH27117.6°120.6°
CALCAJCAIOAH155.0°175.6°
CALCAJCAKCAF179.3°167.9°
CALCAJCAKCAR61.6°72.0°
CAJCALCAMCAN179.1°180.0°
CALCAJCAIH1831.1°64.7°
CALCAJCAKH2362.2°47.9°
CAJCALCAMH280.9°0.0°
CAJCALCAQH320.7°0.3°
CAKCAJCAIOAH25.9°64.8°
CAJCAKCAFCAE43.1°17.8°
CAJCAKCAFCAA135.7°162.3°
CAKCAJCALCAM84.0°121.1°
CAJCAKCAFCAR118.8°120.1°
CAJCAKCAFH23118.2°120.0°
CAJCAKCARH23123.4°119.9°
CAKCAJCAIH1898.0°55.0°
CAJCAKCARH24180.0°179.8°
CAJCAKCARH2560.0°59.8°
CAJCAKCARH2660.0°60.2°
CAIOAHCAECAF36.7°17.2°
OAHCAICAJH2790.8°55.0°
OAHCAECAFCAA179.8°179.7°
OAHCAECAFCAK1.0°0.4°
CAEOAHCAIH18144.4°70.6°
OAHCAECADH190.0°0.1°
CAECAFCAACAK178.8°179.9°
CAECAFCAKCAR161.9°137.9°
CAFCAECADH19179.1°179.8°
CAECAFCAAH22179.1°179.8°
CAECAFCAKH2375.1°102.2°
CAACAFCAKCAR16.9°42.3°
CAFCAACABH21179.6°180.0°
CAACAFCAKH23106.1°77.6°
CALCAMCANCAO0.6°0.0°
CALCAMCANH28180.0°179.9°
CAMCALCAJH27158.5°0.5°
CALCAMCANH29179.4°179.9°
CAMCALCAQH32178.6°180.0°
CAFCAKCARH23122.7°119.9°
CAKCAFCAAH220.4°0.4°
CAFCAKCARH2466.1°60.0°
CAFCAKCARH25173.9°180.0°
CAFCAKCARH2653.9°60.0°
CAFCAKCAJH2761.7°71.5°
CAKCARH24H25120.0°120.0°
CAKCARH24H26120.0°120.1°
CAKCARH25H26120.0°120.0°
CARCAKCAJH2756.0°48.6°
OASCAOCANCAM180.0°180.0°
OASCAOCANH290.0°0.0°
OASCAOCAPH310.1°0.1°
CAOCANCAMH29180.0°180.0°
CAOCANCAMH28179.4°180.0°
CANCAOOASH300.1°90.0°
CANCAOCAPH31179.9°179.9°
H1CBDCBEH321.9°146.2°
H1CBDCBEH499.2°24.1°
H2CBDCBEH3142.4°23.9°
H2CBDCBEH421.3°98.3°
H3CBECBFH524.1°0.0°
H3CBECBFH6145.5°122.3°
H4CBECBFH597.1°122.2°
H4CBECBFH624.3°0.1°
H5CBFCBGH7103.6°23.8°
H5CBFCBGH817.2°146.2°
H6CBFCBGH717.8°98.4°
H6CBFCBGH8138.6°24.0°
H10CBBCBAH12114.8°64.9°
H10CBBCBAH136.0°175.0°
H11CBBCBAH12125.3°55.1°
H11CBBCBAH13113.8°65.0°
H14CAXCAYH150.1°0.1°
H16CAVCAUH170.1°0.0°
H18CAICAJH27145.3°174.8°
H21CABCAAH220.4°0.0°
H23CAKCARH2456.7°59.9°
H23CAKCARH2563.3°60.1°
H23CAKCARH26176.6°179.9°
H23CAKCAJH27179.8°168.5°
H24CARH25H26120.0°119.9°
H28CAMCANH290.6°0.0°
H31CAPCAQH320.8°0.2°

226707

PDB entries from 2024-10-30

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