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7AU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CACCABdoub1.39Å1.36ÅAromatic
CACNADsing1.32Å1.35ÅAromatic
CABCAAsing1.38Å1.37ÅAromatic
NADCAFdoub1.33Å1.32ÅAromatic
CAACL1sing1.74Å1.57Å
CAACAEdoub1.40Å1.34ÅAromatic
CAFCAEsing1.41Å1.33ÅAromatic
CAFNAGsing1.38Å1.28ÅAromatic
CAECAIsing1.47Å1.33ÅAromatic
CBDNAGsing1.47Å1.41Å
NAGCAHsing1.37Å1.29ÅAromatic
CAICAHdoub1.38Å1.31ÅAromatic
CAICAJsing1.48Å1.34Å
CAHCARsing1.48Å1.31Å
CAKCAJdoub1.40Å1.38ÅAromatic
CAKCALsing1.38Å1.39ÅAromatic
CAJCAOsing1.40Å1.36ÅAromatic
CARCASdoub1.40Å1.37ÅAromatic
CARCAWsing1.40Å1.36ÅAromatic
CALCAMdoub1.38Å1.37ÅAromatic
CAOCANdoub1.38Å1.37ÅAromatic
CASCATsing1.38Å1.38ÅAromatic
CAWCAVdoub1.38Å1.37ÅAromatic
CAMCANsing1.38Å1.35ÅAromatic
CAMCAPsing1.51Å1.36Å
CATCAUdoub1.39Å1.37ÅAromatic
CAPOAQsing1.43Å1.39Å
CAVCAUsing1.39Å1.37ÅAromatic
CAUNAXsing1.40Å1.33Å
NAXCAYsing1.47Å1.45Å
NAXCBCsing1.47Å1.46Å
CAYCAZsing1.53Å1.51Å
CBCCBBsing1.53Å1.53Å
CAZNBAsing1.47Å1.46Å
NBACBBsing1.47Å1.47Å
CAYH1sing1.09Å1.10Å
CAYH2sing1.09Å1.10Å
CAZH3sing1.09Å1.10Å
CAZH4sing1.09Å1.10Å
NBAH5sing1.01Å1.00Å
CBBH7sing1.09Å1.10Å
CBBH8sing1.09Å1.10Å
CBCH9sing1.09Å1.10Å
CBCH10sing1.09Å1.10Å
CAVH11sing1.08Å1.08Å
CAWH12sing1.08Å1.08Å
CATH13sing1.08Å1.08Å
CASH14sing1.08Å1.08Å
CBDH15sing1.09Å1.10Å
CBDH16sing1.09Å1.10Å
CBDH17sing1.09Å1.10Å
CACH18sing1.08Å1.08Å
CABH19sing1.08Å1.08Å
CAKH20sing1.08Å1.08Å
CALH21sing1.08Å1.08Å
CAOH22sing1.08Å1.08Å
CANH23sing1.08Å1.08Å
CAPH24sing1.09Å1.10Å
CAPH25sing1.09Å1.10Å
OAQH26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABCACNAD119.5°121.6°
CACCABCAA118.4°119.3°
CABCACH18120.2°119.3°
CACCABH19120.8°120.3°
CACNADCAF120.0°121.7°
NADCACH18120.2°119.2°
CABCAACL1112.6°121.0°
CABCAACAE120.8°118.1°
CAACABH19120.8°120.4°
NADCAFCAE122.6°119.8°
NADCAFNAG126.7°132.5°
CL1CAACAE126.6°121.0°
CAACAECAF118.7°119.5°
CAACAECAI136.3°134.0°
CAECAFNAG110.7°107.7°
CAFCAECAI105.0°106.5°
CAFNAGCBD121.9°124.8°
CAFNAGCAH107.1°110.3°
CAECAICAH107.4°106.4°
CAECAICAJ130.8°126.8°
CBDNAGCAH131.0°124.9°
NAGCBDH15109.5°109.4°
NAGCBDH16109.5°109.5°
NAGCBDH17109.5°109.5°
NAGCAHCAI109.8°109.2°
NAGCAHCAR122.7°125.4°
CAHCAICAJ121.8°126.8°
CAICAHCAR127.5°125.4°
CAICAJCAK123.4°120.2°
CAICAJCAO120.2°120.1°
CAHCARCAS119.5°120.1°
CAHCARCAW121.3°120.1°
CAJCAKCAL122.0°119.9°
CAKCAJCAO116.3°119.7°
CAJCAKH20119.0°120.0°
CAKCALCAM119.5°120.1°
CALCAKH20119.0°120.0°
CAKCALH21120.3°120.0°
CAJCAOCAN122.4°119.8°
CAJCAOH22118.8°120.1°
CASCARCAW119.1°119.9°
CARCASCAT120.9°119.9°
CARCASH14119.6°120.0°
CARCAWCAV120.2°119.9°
CARCAWH12119.9°120.1°
CALCAMCAN118.7°120.3°
CALCAMCAP124.8°119.9°
CAMCALH21120.2°119.9°
CAOCANCAM121.0°120.2°
CANCAOH22118.8°120.1°
CAOCANH23119.5°119.9°
CASCATCAU119.8°120.0°
CASCATH13120.1°120.0°
CATCASH14119.5°120.0°
CAWCAVCAU121.0°120.1°
CAWCAVH11119.5°119.9°
CAVCAWH12119.9°120.0°
CANCAMCAP116.4°119.8°
CAMCANH23119.5°119.9°
CAMCAPOAQ110.9°109.4°
CAMCAPH24109.1°109.5°
CAMCAPH25109.1°109.4°
CATCAUCAV118.9°120.2°
CATCAUNAX121.1°119.9°
CAUCATH13120.1°120.0°
OAQCAPH24109.1°109.5°
OAQCAPH25109.1°109.5°
CAPOAQH26109.5°114.0°
CAVCAUNAX120.0°119.9°
CAUCAVH11119.5°120.0°
CAUNAXCAY122.1°111.0°
CAUNAXCBC122.1°111.0°
CAYNAXCBC115.7°110.9°
NAXCAYCAZ110.2°109.4°
NAXCAYH1109.3°109.5°
NAXCAYH2109.3°109.5°
NAXCBCCBB111.7°109.4°
NAXCBCH9108.9°109.5°
NAXCBCH10108.9°109.5°
CAYCAZNBA112.7°109.3°
CAZCAYH1109.3°109.5°
CAZCAYH2109.3°109.5°
CAYCAZH3108.7°109.5°
CAYCAZH4108.7°109.5°
CBCCBBNBA113.5°109.4°
CBCCBBH7108.4°109.5°
CBCCBBH8108.4°109.5°
CBBCBCH9108.9°109.4°
CBBCBCH10108.9°109.5°
CAZNBACBB106.9°110.9°
NBACAZH3108.7°109.5°
NBACAZH4108.7°109.5°
CAZNBAH5110.1°111.0°
CBBNBAH5110.1°111.0°
NBACBBH7108.4°109.5°
NBACBBH8108.5°109.4°
H1CAYH2109.4°109.5°
H3CAZH4109.4°109.5°
H7CBBH8109.5°109.5°
H9CBCH10109.5°109.5°
H15CBDH16109.4°109.4°
H15CBDH17109.5°109.5°
H16CBDH17109.5°109.5°
H24CAPH25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABCACNADH18180.0°179.9°
CACCABCAAH19180.0°179.9°
CABCACNADCAF1.2°0.1°
CACCABCAACL1179.5°180.0°
CACCABCAACAE0.7°0.1°
NADCACCABCAA1.0°0.1°
CACNADCAFCAE0.9°0.0°
CACNADCAFNAG179.7°179.6°
NADCACCABH19178.9°180.0°
CABCAACL1CAE179.8°179.9°
CABCAACAECAF0.4°0.0°
CABCAACAECAI179.1°180.0°
CAACABCACH18178.9°180.0°
NADCAFCAECAA0.5°0.0°
NADCAFCAENAG179.5°179.7°
NADCAFCAECAI179.1°180.0°
NADCAFNAGCBD0.0°0.4°
NADCAFNAGCAH179.8°179.7°
CAFNADCACH18178.8°180.0°
CL1CAACAECAF179.8°179.9°
CL1CAACAECAI0.7°0.1°
CL1CAACABH190.5°0.1°
CAACAECAFCAI179.7°180.0°
CAACAECAFNAG180.0°179.7°
CAACAECAICAH179.6°179.6°
CAACAECAICAJ2.3°0.0°
CAECAACABH19179.3°180.0°
CAECAFNAGCBD179.4°180.0°
CAECAFNAGCAH0.3°0.1°
CAFCAECAICAH0.9°0.4°
CAFCAECAICAJ178.1°180.0°
NAGCAFCAECAI0.4°0.3°
CAFNAGCBDCAH179.7°179.9°
CAFNAGCAHCAI0.9°0.2°
CAFNAGCAHCAR178.6°180.0°
CAFNAGCBDH15180.0°89.9°
CAFNAGCBDH1660.0°30.0°
CAFNAGCBDH1760.0°150.1°
CAECAICAHNAG1.1°0.4°
CAECAICAHCAJ177.5°179.6°
CAECAICAHCAR178.7°179.8°
CAECAICAJCAK47.1°112.4°
CAECAICAJCAO135.8°67.3°
CBDNAGCAHCAI178.9°179.7°
CBDNAGCAHCAR1.1°0.1°
NAGCBDH15H16120.0°120.0°
NAGCBDH15H17120.0°120.0°
NAGCBDH16H17120.0°120.0°
NAGCAHCAICAR177.6°179.8°
NAGCAHCAICAJ178.6°180.0°
NAGCAHCARCAS50.6°54.8°
NAGCAHCARCAW131.8°125.4°
CAHNAGCBDH150.3°90.0°
CAHNAGCBDH16119.6°150.1°
CAHNAGCBDH17120.3°30.0°
CAHCAICAJCAK129.8°67.1°
CAHCAICAJCAO47.4°113.2°
CAICAHCARCAS126.7°125.4°
CAICAHCARCAW50.9°54.4°
CAJCAICAHCAR3.8°0.2°
CAICAJCAKCAO177.2°179.8°
CAICAJCAKCAL178.3°180.0°
CAICAJCAOCAN178.2°180.0°
CAICAJCAKH201.6°0.0°
CAICAJCAOH221.8°0.1°
CAHCARCASCAW177.6°179.8°
CAHCARCASCAT179.2°179.9°
CAHCARCAWCAV179.1°180.0°
CAHCARCAWH120.9°0.1°
CAHCARCASH140.8°0.0°
CAJCAKCALH20180.0°180.0°
CAJCAKCALCAM1.2°0.0°
CAKCAJCAOCAN0.9°0.3°
CAJCAKCALH21178.8°180.0°
CAKCAJCAOH22179.1°179.7°
CALCAKCAJCAO1.1°0.3°
CAKCALCAMH21180.0°180.0°
CAKCALCAMCAN1.0°0.2°
CAKCALCAMCAP179.2°180.0°
CAJCAOCANH22180.0°180.0°
CAJCAOCANCAM0.7°0.0°
CAOCAJCAKH20178.8°179.8°
CAJCAOCANH23179.2°179.9°
CARCASCATH14180.0°179.9°
CASCARCAWCAV1.5°0.2°
CARCASCATCAU0.9°0.1°
CASCARCAWH12178.5°179.7°
CARCASCATH13179.1°180.0°
CAWCARCASCAT1.6°0.3°
CARCAWCAVH12180.0°179.9°
CARCAWCAVCAU0.7°0.1°
CARCAWCAVH11179.3°180.0°
CAWCARCASH14178.4°179.8°
CALCAMCANCAO0.7°0.2°
CALCAMCANCAP178.4°179.8°
CALCAMCAPOAQ26.5°90.0°
CAMCALCAKH20178.8°180.0°
CALCAMCANH23179.2°179.7°
CALCAMCAPH2493.7°149.9°
CALCAMCAPH25146.7°30.0°
CAOCANCAMH23180.0°179.9°
CAOCANCAMCAP179.2°180.0°
CASCATCAUH13180.0°180.0°
CASCATCAUCAV0.1°0.2°
CASCATCAUNAX179.8°180.0°
CAWCAVCAUCAT0.0°0.3°
CAWCAVCAUH11180.0°179.9°
CAWCAVCAUNAX179.9°180.0°
CANCAMCAPOAQ155.2°89.8°
CANCAMCALH21179.0°179.8°
CAMCANCAOH22179.3°179.9°
CANCAMCAPH2484.6°30.2°
CANCAMCAPH2535.0°150.2°
CAMCAPOAQH24120.2°120.0°
CAMCAPOAQH25120.2°119.9°
CAPCAMCALH210.8°0.1°
CAPCAMCANH230.8°0.1°
CAMCAPH24H25119.3°120.0°
CAMCAPOAQH26180.0°180.0°
CATCAUCAVNAX179.9°179.7°
CATCAUNAXCAY21.8°0.3°
CATCAUNAXCBC154.5°124.0°
CATCAUCAVH11180.0°179.8°
CAUCATCASH14179.1°180.0°
OAQCAPH24H25119.3°120.0°
CAVCAUNAXCAY158.2°180.0°
CAVCAUNAXCBC25.4°56.2°
CAUCAVCAWH12179.3°180.0°
CAVCAUCATH13179.9°179.7°
CAUNAXCAYCBC176.6°123.9°
CAUNAXCAYCAZ147.1°176.8°
CAUNAXCBCCBB122.3°176.8°
CAUNAXCAYH127.0°56.9°
CAUNAXCAYH292.7°63.2°
CAUNAXCBCH9117.4°63.2°
CAUNAXCBCH102.0°56.8°
NAXCAUCAVH110.1°0.1°
NAXCAUCATH130.2°0.0°
NAXCAYCAZH1120.1°119.9°
NAXCAYCAZH2120.1°120.0°
CAYNAXCBCCBB54.3°59.3°
NAXCAYCAZNBA32.5°58.4°
NAXCAYH1H2119.7°120.1°
NAXCAYCAZH3152.9°178.4°
NAXCAYCAZH488.0°61.5°
CAYNAXCBCH966.1°60.6°
CAYNAXCBCH10174.6°179.3°
CBCNAXCAYCAZ29.4°59.3°
NAXCBCCBBH9120.3°120.0°
NAXCBCCBBH10120.3°120.0°
NAXCBCCBBNBA15.3°58.4°
CBCNAXCAYH1149.5°179.3°
CBCNAXCAYH290.7°60.7°
NAXCBCCBBH7135.9°178.4°
NAXCBCCBBH8105.3°61.5°
NAXCBCH9H10119.0°120.1°
CAYCAZNBAH3120.5°119.9°
CAYCAZNBAH4120.5°120.0°
CAYCAZNBACBB69.1°59.3°
CAZCAYH1H2119.7°120.1°
CAYCAZH3H4118.5°120.0°
CAYCAZNBAH550.5°64.5°
CBCCBBNBACAZ41.9°59.3°
CBCCBBNBAH7120.6°120.0°
CBCCBBNBAH8120.6°119.9°
CBCCBBNBAH577.7°64.6°
CBCCBBH7H8118.1°120.1°
CBBCBCH9H10119.0°120.0°
CAZNBACBBH5119.6°123.8°
NBACAZCAYH187.6°178.3°
NBACAZCAYH2152.6°61.6°
NBACAZH3H4118.5°120.1°
CAZNBACBBH778.7°179.3°
CAZNBACBBH8162.5°60.7°
CBBNBACAZH3170.4°179.2°
CBBNBACAZH451.4°60.6°
NBACBBH7H8118.2°120.0°
NBACBBCBCH9105.0°61.6°
NBACBBCBCH10135.7°178.4°
H1CAYCAZH332.8°61.7°
H1CAYCAZH4151.9°58.4°
H2CAYCAZH386.9°58.4°
H2CAYCAZH432.1°178.4°
H3CAZNBAH570.0°55.4°
H4CAZNBAH5171.0°175.5°
H5NBACBBH7161.7°55.5°
H5NBACBBH842.9°175.5°
H7CBBCBCH915.6°58.4°
H7CBBCBCH10103.8°61.6°
H8CBBCBCH9134.4°178.5°
H8CBBCBCH1015.1°58.5°
H11CAVCAWH120.7°0.1°
H13CATCASH140.9°0.0°
H15CBDH16H17120.0°120.0°
H18CACCABH191.1°0.1°
H20CAKCALH211.2°0.0°
H22CAOCANH230.7°0.0°
H24CAPOAQH2659.8°60.0°
H25CAPOAQH2659.8°60.0°

223532

PDB entries from 2024-08-07

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