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5D2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBICBHsing1.51Å1.52Å
NBGCBHdoub1.31Å1.35ÅAromatic
NBGNBFsing1.29Å1.37ÅAromatic
CBHNBDsing1.35Å1.32ÅAromatic
NBFCBCdoub1.32Å1.35ÅAromatic
NBDCBCsing1.37Å1.35ÅAromatic
NBDNBEsing1.40Å1.38ÅAromatic
CBCCBBsing1.41Å1.36ÅAromatic
NBECAZdoub1.31Å1.35ÅAromatic
CBBCBAdoub1.36Å1.41ÅAromatic
CAZCBAsing1.41Å1.42ÅAromatic
CAZNAWsing1.39Å1.33Å
CAXNAWsing1.47Å1.48Å
CAXCAYsing1.53Å1.54Å
NAWCAVsing1.47Å1.52Å
CAYCASsing1.53Å1.57Å
CAVCAUsing1.53Å1.52Å
CAUCASsing1.53Å1.54Å
CASCARsing1.51Å1.51Å
CAROATdoub1.21Å1.25Å
CARNAQsing1.35Å1.33Å
NAQCAPsing1.47Å1.43Å
CAPCAOsing1.53Å1.45Å
CAOCANsing1.53Å1.51Å
CAECADdoub1.38Å1.39ÅAromatic
CAECAFsing1.38Å1.37ÅAromatic
CALCAMsing1.53Å1.43Å
CALNAKsing1.47Å1.48Å
CADCACsing1.39Å1.42ÅAromatic
CAMNAHsing1.47Å1.48Å
CAFCAAdoub1.38Å1.38ÅAromatic
CANNAKsing1.47Å1.47Å
NAKCAJsing1.47Å1.46Å
CACNAHsing1.40Å1.34Å
CACCABdoub1.39Å1.36ÅAromatic
NAHCAIsing1.47Å1.47Å
CAACABsing1.38Å1.40ÅAromatic
CAACLsing1.74Å1.49Å
CAJCAIsing1.53Å1.48Å
CABH1sing1.08Å1.08Å
CAFH2sing1.08Å1.08Å
CAEH3sing1.08Å1.08Å
CADH4sing1.08Å1.08Å
CAMH5sing1.09Å1.10Å
CAMH6sing1.09Å1.10Å
CALH7sing1.09Å1.10Å
CALH8sing1.09Å1.10Å
CAIH9sing1.09Å1.10Å
CAIH10sing1.09Å1.10Å
CAJH11sing1.09Å1.10Å
CAJH12sing1.09Å1.10Å
CANH14sing1.09Å1.10Å
CANH15sing1.09Å1.10Å
CAOH16sing1.09Å1.10Å
CAOH17sing1.09Å1.10Å
CAPH18sing1.09Å1.10Å
CAPH19sing1.09Å1.10Å
NAQH20sing0.97Å1.00Å
CASH21sing1.09Å1.10Å
CAYH22sing1.09Å1.10Å
CAYH23sing1.09Å1.10Å
CAXH24sing1.09Å1.10Å
CAXH25sing1.09Å1.10Å
CAUH26sing1.09Å1.10Å
CAUH27sing1.09Å1.10Å
CAVH28sing1.09Å1.10Å
CAVH29sing1.09Å1.10Å
CBIH30sing1.09Å1.10Å
CBIH31sing1.09Å1.10Å
CBIH32sing1.09Å1.10Å
CBBH33sing1.08Å1.08Å
CBAH34sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBICBHNBG126.1°126.2°
CBICBHNBD121.9°126.2°
CBHCBIH30109.5°109.5°
CBHCBIH31109.5°109.5°
CBHCBIH32109.5°109.5°
CBHNBGNBF105.1°110.2°
NBGCBHNBD111.8°107.6°
NBGNBFCBC107.8°109.3°
CBHNBDCBC106.6°106.1°
CBHNBDNBE130.5°133.8°
NBFCBCNBD108.7°106.8°
NBFCBCCBB133.3°133.8°
CBCNBDNBE122.9°120.1°
NBDCBCCBB117.9°119.4°
NBDNBECAZ119.1°120.5°
CBCCBBCBA122.9°119.2°
CBCCBBH33118.5°120.4°
NBECAZCBA121.0°120.8°
NBECAZNAW119.8°119.6°
CBBCBACAZ116.0°120.1°
CBACBBH33118.5°120.4°
CBBCBAH34122.0°120.0°
CBACAZNAW119.2°119.6°
CAZCBAH34122.0°119.9°
CAZNAWCAX121.8°120.6°
CAZNAWCAV123.3°120.6°
NAWCAXCAY108.3°108.7°
CAXNAWCAV113.0°118.8°
NAWCAXH24109.8°109.6°
NAWCAXH25109.8°109.6°
CAXCAYCAS116.6°109.3°
CAXCAYH22107.7°109.5°
CAXCAYH23107.7°109.5°
CAYCAXH24109.8°109.6°
CAYCAXH25109.8°109.6°
NAWCAVCAU106.2°108.7°
NAWCAVH28110.3°109.7°
NAWCAVH29110.2°109.7°
CAYCASCAU116.4°109.5°
CAYCASCAR104.5°109.5°
CAYCASH21108.3°109.5°
CASCAYH22107.6°109.5°
CASCAYH23107.7°109.5°
CAVCAUCAS104.2°109.3°
CAVCAUH26110.8°109.5°
CAVCAUH27110.8°109.5°
CAUCAVH28110.3°109.6°
CAUCAVH29110.3°109.5°
CAUCASCAR109.5°109.5°
CAUCASH21108.7°109.4°
CASCAUH26110.8°109.5°
CASCAUH27110.8°109.5°
CASCAROAT123.9°120.0°
CASCARNAQ110.6°120.0°
CARCASH21109.1°109.4°
OATCARNAQ125.5°120.0°
CARNAQCAP118.8°120.0°
CARNAQH20120.6°120.0°
NAQCAPCAO112.5°109.5°
NAQCAPH18108.7°109.4°
NAQCAPH19108.7°109.4°
CAPNAQH20120.6°120.0°
CAPCAOCAN108.2°109.5°
CAPCAOH16109.8°109.5°
CAPCAOH17109.8°109.5°
CAOCAPH18108.7°109.5°
CAOCAPH19108.7°109.5°
CAOCANNAK115.6°109.5°
CAOCANH14107.9°109.4°
CAOCANH15107.9°109.5°
CANCAOH16109.8°109.4°
CANCAOH17109.8°109.5°
CADCAECAF116.6°120.1°
CAECADCAC126.1°119.9°
CADCAEH3121.7°120.0°
CAECADH4117.0°120.0°
CAECAFCAA116.7°120.2°
CAECAFH2121.6°120.0°
CAFCAEH3121.7°120.0°
CAMCALNAK105.8°109.3°
CALCAMNAH107.5°109.4°
CALCAMH5110.0°109.4°
CALCAMH6110.0°109.5°
CAMCALH7110.4°109.5°
CAMCALH8110.4°109.5°
CALNAKCAN118.9°111.0°
CALNAKCAJ115.8°110.9°
NAKCALH7110.4°109.5°
NAKCALH8110.4°109.5°
CADCACNAH121.5°120.1°
CADCACCAB117.0°119.9°
CACCADH4116.9°120.0°
CAMNAHCAC119.6°111.0°
CAMNAHCAI116.9°110.9°
NAHCAMH5110.0°109.5°
NAHCAMH6110.0°109.5°
CAFCAACAB127.7°120.0°
CAFCAACL119.7°120.0°
CAACAFH2121.7°119.9°
CANNAKCAJ105.0°111.0°
NAKCANH14107.9°109.5°
NAKCANH15107.9°109.5°
NAKCAJCAI112.2°109.4°
NAKCAJH11108.8°109.5°
NAKCAJH12108.8°109.5°
NAHCACCAB121.4°120.0°
CACNAHCAI123.5°111.0°
CACCABCAA115.5°119.9°
CACCABH1122.2°120.1°
NAHCAICAJ109.3°109.4°
NAHCAIH9109.5°109.5°
NAHCAIH10109.5°109.5°
CABCAACL112.2°120.0°
CAACABH1122.3°120.0°
CAJCAIH9109.5°109.5°
CAJCAIH10109.5°109.5°
CAICAJH11108.8°109.5°
CAICAJH12108.8°109.5°
H5CAMH6109.5°109.5°
H7CALH8109.5°109.5°
H9CAIH10109.5°109.5°
H11CAJH12109.5°109.5°
H14CANH15109.5°109.5°
H16CAOH17109.5°109.5°
H18CAPH19109.5°109.5°
H22CAYH23109.5°109.5°
H24CAXH25109.5°109.7°
H26CAUH27109.5°109.5°
H28CAVH29109.5°109.6°
H30CBIH31109.5°109.5°
H30CBIH32109.5°109.5°
H31CBIH32109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBICBHNBGNBD175.3°180.0°
CBICBHNBGNBF175.4°180.0°
CBICBHNBDCBC176.0°180.0°
CBICBHNBDNBE2.0°0.0°
CBHCBIH30H31120.0°120.0°
CBHCBIH30H32120.0°120.0°
CBHCBIH31H32120.0°120.0°
CBHNBGNBFCBC0.3°0.0°
NBGCBHNBDCBC0.5°0.0°
NBGCBHNBDNBE177.5°180.0°
NBGCBHCBIH300.0°90.0°
NBGCBHCBIH31120.0°30.1°
NBGCBHCBIH32120.0°150.0°
NBFNBGCBHNBD0.1°0.0°
NBGNBFCBCNBD0.6°0.0°
NBGNBFCBCCBB179.1°180.0°
CBHNBDCBCNBF0.6°0.0°
CBHNBDCBCNBE178.1°180.0°
CBHNBDCBCCBB179.4°180.0°
CBHNBDNBECAZ178.1°180.0°
NBDCBHCBIH30174.9°90.0°
NBDCBHCBIH3165.2°150.0°
NBDCBHCBIH3254.8°30.0°
NBFCBCNBDCBB178.8°180.0°
NBFCBCNBDNBE177.5°180.0°
NBFCBCCBBCBA178.4°180.0°
NBFCBCCBBH331.6°0.0°
CBCNBDNBECAZ4.2°0.0°
NBDCBCCBBCBA3.2°0.0°
NBDCBCCBBH33176.8°179.9°
NBENBDCBCCBB1.3°0.0°
NBDNBECAZCBA2.7°0.0°
NBDNBECAZNAW175.2°179.7°
CBCCBBCBAH33180.0°180.0°
CBCCBBCBACAZ4.5°0.0°
CBCCBBCBAH34175.5°179.8°
NBECAZCBACBB1.4°0.0°
NBECAZCBANAW177.9°179.8°
NBECAZNAWCAX20.5°5.7°
NBECAZNAWCAV175.8°174.4°
NBECAZCBAH34178.6°179.8°
CBBCBACAZH34180.0°179.8°
CBBCBACAZNAW179.4°179.8°
CBACAZNAWCAX157.4°174.1°
CBACAZNAWCAV6.2°5.8°
CAZCBACBBH33175.5°180.0°
CAZNAWCAXCAV165.2°179.9°
CAZNAWCAXCAY110.0°126.4°
CAZNAWCAVCAU89.0°126.4°
CAZNAWCAXH24130.2°6.7°
CAZNAWCAXH259.8°113.8°
CAZNAWCAVH2830.5°113.8°
CAZNAWCAVH29151.5°6.6°
NAWCAZCBAH340.7°0.0°
NAWCAXCAYH24119.8°119.7°
NAWCAXCAYH25119.8°119.8°
NAWCAXCAYCAS34.8°54.6°
CAXNAWCAVCAU75.9°53.7°
NAWCAXCAYH22155.8°65.3°
NAWCAXCAYH2386.3°174.6°
NAWCAXH24H25120.6°120.4°
CAXNAWCAVH28164.6°66.1°
CAXNAWCAVH2943.6°173.5°
CAYCAXNAWCAV55.2°53.7°
CAXCAYCASH22121.0°120.0°
CAXCAYCASH23121.1°120.0°
CAXCAYCASCAU35.6°61.4°
CAXCAYCASCAR156.6°178.6°
CAXCAYCASH2187.2°58.6°
CAXCAYH22H23116.7°120.1°
CAYCAXH24H25120.5°120.4°
NAWCAVCAUH28119.5°119.8°
NAWCAVCAUH29119.5°119.9°
NAWCAVCAUCAS67.0°54.7°
CAVNAWCAXH2464.6°173.4°
CAVNAWCAXH25175.0°66.1°
NAWCAVCAUH2652.2°174.6°
NAWCAVCAUH27173.9°65.3°
NAWCAVH28H29121.5°120.5°
CAYCASCAUCAV50.1°61.4°
CAYCASCAUCAR118.3°120.0°
CAYCASCAUH21122.6°120.0°
CAYCASCARH21115.7°120.0°
CAYCASCAROAT94.8°0.1°
CAYCASCARNAQ81.7°180.0°
CASCAYH22H23116.7°120.1°
CASCAYCAXH2485.0°174.4°
CASCAYCAXH25154.6°65.2°
CAYCASCAUH2669.0°178.6°
CAYCASCAUH27169.3°58.6°
CAVCAUCASH26119.1°120.0°
CAVCAUCASH27119.2°120.0°
CAVCAUCASCAR168.4°178.6°
CAVCAUCASH2172.5°58.7°
CAVCAUH26H27122.4°120.1°
CAUCAVH28H29121.5°120.2°
CAUCASCARH21118.9°120.0°
CAUCASCAROAT30.6°120.0°
CAUCASCARNAQ152.9°60.0°
CAUCASCAYH22156.7°58.6°
CAUCASCAYH2385.4°178.6°
CASCAUH26H27122.5°120.0°
CASCAUCAVH28173.5°65.2°
CASCAUCAVH2952.5°174.6°
CASCAROATNAQ175.9°179.9°
CASCARNAQCAP169.1°180.0°
CASCARNAQH2010.9°0.0°
CARCASCAYH2282.4°61.4°
CARCASCAYH2335.5°58.6°
CARCASCAUH2649.2°58.6°
CARCASCAUH2772.5°61.4°
OATCARNAQCAP7.3°0.1°
OATCARNAQH20172.7°180.0°
OATCARCASH21149.5°120.1°
CARNAQCAPH20180.0°180.0°
CARNAQCAPCAO155.8°180.0°
CARNAQCAPH1883.7°60.0°
CARNAQCAPH1935.4°60.0°
NAQCARCASH2134.0°60.0°
NAQCAPCAOH18120.5°120.0°
NAQCAPCAOH19120.4°120.0°
NAQCAPCAOCAN140.2°180.0°
NAQCAPCAOH1620.4°60.0°
NAQCAPCAOH17100.0°60.0°
NAQCAPH18H19118.6°119.9°
CAPCAOCANH16119.8°120.0°
CAPCAOCANH17119.8°120.0°
CAPCAOCANNAK87.3°180.0°
CAPCAOCANH1433.6°60.0°
CAPCAOCANH15151.8°59.9°
CAPCAOH16H17120.6°120.0°
CAOCAPH18H19118.6°120.0°
CAOCAPNAQH2024.2°0.0°
CAOCANNAKCAL41.0°170.0°
CAOCANNAKH14120.9°120.0°
CAOCANNAKH15120.9°120.0°
CAOCANNAKCAJ172.5°66.2°
CAOCANH14H15117.2°120.0°
CANCAOH16H17120.6°120.0°
CANCAOCAPH1899.3°60.0°
CANCAOCAPH1919.8°60.0°
CADCAECAFH3180.0°179.8°
CAECADCACH4180.0°179.7°
CADCAECAFCAA2.8°0.0°
CAECADCACNAH179.6°179.9°
CAECADCACCAB1.4°0.5°
CADCAECAFH2177.1°179.9°
CAFCAECADCAC0.6°0.2°
CAECAFCAAH2180.0°179.9°
CAECAFCAACAB6.7°0.0°
CAECAFCAACL179.1°180.0°
CAFCAECADH4179.4°180.0°
CAMCALNAKH7119.4°120.0°
CAMCALNAKH8119.4°119.9°
CALCAMNAHH5119.7°119.9°
CALCAMNAHH6119.7°120.0°
CAMCALNAKCAN171.6°176.8°
CAMCALNAKCAJ61.8°59.3°
CALCAMNAHCAC116.5°176.7°
CALCAMNAHCAI61.2°59.3°
CALCAMH5H6120.9°120.0°
CAMCALH7H8121.7°120.1°
NAKCALCAMNAH61.7°58.4°
CALNAKCANCAJ131.5°123.8°
CALNAKCAJCAI51.7°59.3°
NAKCALCAMH558.0°178.4°
NAKCALCAMH6178.7°61.6°
NAKCALH7H8121.7°120.1°
CALNAKCAJH1168.8°179.3°
CALNAKCAJH12172.1°60.7°
CALNAKCANH1479.9°70.0°
CALNAKCANH15161.9°50.0°
CADCACNAHCAM18.8°56.2°
CADCACNAHCAB178.1°179.6°
CADCACNAHCAI158.7°180.0°
CADCACCABCAA4.3°0.5°
CADCACCABH1175.6°179.8°
CACCADCAEH3179.4°180.0°
CAMNAHCACCAI177.5°123.9°
CAMNAHCACCAB159.3°124.3°
CAMNAHCAICAJ48.9°59.3°
NAHCAMH5H6120.9°120.1°
NAHCAMCALH757.8°61.5°
NAHCAMCALH8178.9°178.4°
CAMNAHCAIH971.1°60.6°
CAMNAHCAIH10168.9°179.3°
CAFCAACABCAC7.5°0.2°
CAFCAACABCL172.9°180.0°
CAFCAACABH1172.5°180.0°
CAACAFCAEH3177.1°179.7°
CANNAKCAJCAI175.1°176.8°
CANNAKCALH769.0°63.3°
CANNAKCALH852.2°56.8°
CANNAKCAJH1164.5°56.8°
CANNAKCAJH1254.7°63.2°
NAKCANH14H15117.2°120.0°
NAKCANCAOH16153.0°60.0°
NAKCANCAOH1732.5°60.0°
NAKCAJCAINAH41.6°58.3°
NAKCAJCAIH11120.4°120.0°
NAKCAJCAIH12120.4°120.0°
CAJNAKCALH757.6°60.6°
CAJNAKCALH8178.7°179.3°
NAKCAJCAIH978.3°61.6°
NAKCAJCAIH10161.6°178.4°
NAKCAJH11H12118.7°120.0°
CAJNAKCANH1451.6°53.8°
CAJNAKCANH1566.6°173.8°
NAHCACCABCAA177.5°179.9°
CACNAHCAICAJ128.7°176.8°
NAHCACCABH12.6°0.2°
NAHCACCADH40.4°0.2°
CACNAHCAMH5123.8°56.8°
CACNAHCAMH63.2°63.3°
CACNAHCAIH9111.3°63.3°
CACNAHCAIH108.7°56.8°
CABCACNAHCAI23.2°0.4°
CACCABCAAH1180.0°179.7°
CACCABCAACL179.6°179.8°
CABCACCADH4178.6°179.8°
NAHCAICAJH9120.0°119.9°
NAHCAICAJH10120.0°120.0°
CAINAHCAMH558.5°179.3°
CAINAHCAMH6179.1°60.7°
NAHCAIH9H10120.0°120.1°
NAHCAICAJH1178.8°178.3°
NAHCAICAJH12162.1°61.6°
CABCAACAFH2173.3°179.9°
CLCAACABH10.4°0.0°
CLCAACAFH20.8°0.1°
CAJCAIH9H10120.1°120.0°
CAICAJH11H12118.7°120.1°
H2CAFCAEH32.9°0.1°
H3CAECADH40.6°0.3°
H5CAMCALH7177.4°58.4°
H5CAMCALH861.4°61.7°
H6CAMCALH761.9°178.4°
H6CAMCALH859.2°58.3°
H9CAICAJH11161.2°58.4°
H9CAICAJH1242.1°178.5°
H10CAICAJH1141.2°61.7°
H10CAICAJH1278.0°58.4°
H14CANCAOH1686.1°180.0°
H14CANCAOH17153.4°60.0°
H15CANCAOH1632.1°60.0°
H15CANCAOH1788.4°180.0°
H16CAOCAPH18140.9°180.0°
H16CAOCAPH19100.0°60.0°
H17CAOCAPH1820.4°60.0°
H17CAOCAPH19139.6°180.0°
H18CAPNAQH2096.3°120.0°
H19CAPNAQH20144.6°120.0°
H21CASCAYH2233.9°178.6°
H21CASCAYH23151.8°61.3°
H21CASCAUH26168.4°61.3°
H21CASCAUH2746.7°178.6°
H22CAYCAXH2436.0°54.4°
H22CAYCAXH2584.4°174.9°
H23CAYCAXH24153.9°65.6°
H23CAYCAXH2533.5°54.8°
H26CAUCAVH2867.3°54.8°
H26CAUCAVH29171.7°65.5°
H27CAUCAVH2854.4°174.8°
H27CAUCAVH2966.6°54.6°
H30CBIH31H32120.0°120.0°
H33CBBCBAH344.5°0.2°

223532

PDB entries from 2024-08-07

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