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85O

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACABdoub1.38Å1.39ÅAromatic
CAACAFsing1.37Å1.39ÅAromatic
CABCACsing1.39Å1.39ÅAromatic
CAFCAEdoub1.40Å1.39ÅAromatic
CAHOAGsing1.43Å1.43Å
CACOAGsing1.36Å1.37Å
CACCADdoub1.40Å1.39ÅAromatic
CAECADsing1.42Å1.38ÅAromatic
CAECAIsing1.45Å1.38ÅAromatic
OBBCBAsing1.43Å1.43Å
CADNAKsing1.37Å1.35ÅAromatic
CAMCAIsing1.51Å1.51Å
CAMCANsing1.53Å1.54Å
CAICAJdoub1.35Å1.38ÅAromatic
CBACAUsing1.53Å1.53Å
NAKCAJsing1.37Å1.34ÅAromatic
NAKCALsing1.46Å1.49Å
CAJCAPsing1.51Å1.48Å
CANCAUsing1.52Å1.54Å
CANNAOsing1.46Å1.49Å
OAWCAVdoub1.21Å1.22Å
CAUCAVsing1.51Å1.51Å
CAUCATsing1.54Å1.52Å
CAVOAXsing1.34Å1.46Å
CAZNAOsing1.47Å1.47Å
OAXCAYsing1.45Å1.43Å
NAOCAPsing1.47Å1.48Å
NAOCAQsing1.47Å1.47Å
CAPCARsing1.53Å1.53Å
CARCATsing1.54Å1.52Å
CATCASsing1.53Å1.48Å
CAQCASsing1.52Å1.50Å
CASCBCdoub1.31Å1.34Å
CBCCBDsing1.51Å1.51Å
CAAH1sing1.08Å1.08Å
CABH2sing1.08Å1.08Å
CAFH3sing1.08Å1.08Å
CAHH4sing1.09Å1.10Å
CAHH5sing1.09Å1.10Å
CAHH6sing1.09Å1.10Å
CALH7sing1.09Å1.10Å
CALH8sing1.09Å1.10Å
CALH9sing1.09Å1.10Å
CAMH10sing1.09Å1.10Å
CAMH11sing1.09Å1.10Å
CANH12sing1.09Å1.10Å
CAPH13sing1.09Å1.10Å
CAQH14sing1.09Å1.10Å
CAQH15sing1.09Å1.10Å
CARH16sing1.09Å1.10Å
CARH17sing1.09Å1.10Å
CATH18sing1.09Å1.10Å
CAYH19sing1.09Å1.10Å
CAYH20sing1.09Å1.10Å
CAYH21sing1.09Å1.10Å
CAZH22sing1.09Å1.10Å
CAZH23sing1.09Å1.10Å
CAZH24sing1.09Å1.10Å
CBAH25sing1.09Å1.10Å
CBAH26sing1.09Å1.10Å
CBCH27sing1.08Å1.08Å
CBDH28sing1.09Å1.10Å
CBDH29sing1.09Å1.10Å
CBDH30sing1.09Å1.10Å
OBBH31sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABCAACAF120.4°122.2°
CAACABCAC121.1°122.2°
CABCAAH1119.8°119.0°
CAACABH2119.5°118.9°
CAACAFCAE118.1°117.0°
CAFCAAH1119.8°118.9°
CAACAFH3121.0°121.5°
CABCACOAG118.8°121.6°
CABCACCAD118.1°116.8°
CACCABH2119.4°118.9°
CAFCAECAD121.7°121.3°
CAFCAECAI131.8°132.8°
CAECAFH3121.0°121.5°
CAHOAGCAC120.2°117.0°
OAGCAHH4109.5°109.5°
OAGCAHH5109.5°109.5°
OAGCAHH6109.5°109.4°
OAGCACCAD123.1°121.6°
CACCADCAE120.6°120.5°
CACCADNAK129.6°132.0°
CADCAECAI106.5°105.9°
CAECADNAK109.7°107.4°
CAECAICAM130.5°129.5°
CAECAICAJ106.8°107.1°
OBBCBACAU109.7°109.4°
OBBCBAH25109.4°109.5°
OBBCBAH26109.4°109.5°
CBAOBBH31109.5°113.9°
CADNAKCAJ107.4°109.6°
CADNAKCAL128.1°125.2°
CAICAMCAN110.5°108.9°
CAMCAICAJ122.6°123.3°
CAICAMH10109.2°109.5°
CAICAMH11109.2°109.5°
CAMCANCAU114.0°111.3°
CAMCANNAO111.9°110.9°
CANCAMH10109.2°109.6°
CANCAMH11109.2°109.6°
CAMCANH12106.6°108.0°
CAICAJNAK109.5°109.9°
CAICAJCAP122.1°122.6°
CBACAUCAN114.1°109.5°
CBACAUCAV105.8°109.5°
CBACAUCAT109.5°109.6°
CAUCBAH25109.4°109.5°
CAUCBAH26109.4°109.5°
CAJNAKCAL124.5°125.2°
NAKCAJCAP128.3°127.5°
NAKCALH7109.5°109.5°
NAKCALH8109.5°109.5°
NAKCALH9109.5°109.4°
CAJCAPNAO110.3°108.2°
CAJCAPCAR108.6°107.9°
CAJCAPH13109.6°109.7°
CAUCANNAO110.1°111.1°
CANCAUCAV109.2°109.5°
CANCAUCAT109.6°109.2°
CAUCANH12106.6°108.0°
CANNAOCAZ111.3°108.8°
CANNAOCAP109.1°110.6°
CANNAOCAQ110.9°109.6°
NAOCANH12107.2°107.4°
OAWCAVCAU120.2°120.0°
OAWCAVOAX119.0°120.0°
CAVCAUCAT108.4°109.5°
CAUCAVOAX120.7°120.0°
CAUCATCAR110.1°107.7°
CAUCATCAS106.1°106.7°
CAUCATH18111.4°112.4°
CAVOAXCAY120.0°117.0°
CAZNAOCAP110.7°108.1°
CAZNAOCAQ105.4°108.8°
NAOCAZH22109.5°109.4°
NAOCAZH23109.5°109.5°
NAOCAZH24109.5°109.5°
OAXCAYH19109.5°109.5°
OAXCAYH20109.5°109.4°
OAXCAYH21109.5°109.5°
CAPNAOCAQ109.5°110.8°
NAOCAPCAR109.9°110.9°
NAOCAPH13109.5°110.3°
NAOCAQCAS107.8°106.5°
NAOCAQH14109.9°110.0°
NAOCAQH15109.9°110.2°
CAPCARCAT110.2°109.1°
CARCAPH13108.9°109.7°
CAPCARH16109.3°109.5°
CAPCARH17109.3°109.5°
CARCATCAS105.6°105.8°
CATCARH16109.3°109.5°
CATCARH17109.3°109.5°
CARCATH18111.4°111.9°
CATCASCAQ114.4°114.1°
CATCASCBC123.4°123.0°
CASCATH18112.0°112.0°
CAQCASCBC122.2°122.9°
CASCAQH14109.9°110.0°
CASCAQH15109.9°110.1°
CASCBCCBD121.4°120.0°
CASCBCH27119.3°120.0°
CBDCBCH27119.3°120.0°
CBCCBDH28109.5°109.5°
CBCCBDH29109.5°109.5°
CBCCBDH30109.5°109.4°
H4CAHH5109.4°109.5°
H4CAHH6109.4°109.5°
H5CAHH6109.5°109.4°
H7CALH8109.4°109.5°
H7CALH9109.5°109.5°
H8CALH9109.5°109.4°
H10CAMH11109.5°109.7°
H14CAQH15109.5°110.0°
H16CARH17109.5°109.6°
H19CAYH20109.5°109.4°
H19CAYH21109.5°109.5°
H20CAYH21109.4°109.5°
H22CAZH23109.4°109.5°
H22CAZH24109.5°109.4°
H23CAZH24109.5°109.5°
H25CBAH26109.5°109.5°
H28CBDH29109.4°109.5°
H28CBDH30109.5°109.5°
H29CBDH30109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABCAACAFH1180.0°179.7°
CAACABCACH2180.0°180.0°
CABCAACAFCAE0.0°0.0°
CAACABCACOAG179.9°180.0°
CAACABCACCAD0.3°0.0°
CABCAACAFH3180.0°180.0°
CAFCAACABCAC0.1°0.0°
CAACAFCAEH3180.0°180.0°
CAACAFCAECAD0.0°0.1°
CAACAFCAECAI179.4°179.9°
CAFCAACABH2179.9°180.0°
CABCACOAGCAH24.7°0.0°
CABCACOAGCAD179.6°180.0°
CABCACCADCAE0.4°0.1°
CABCACCADNAK179.7°180.0°
CACCABCAAH1179.9°179.7°
CAFCAECADCAC0.3°0.1°
CAFCAECADCAI179.6°179.9°
CAFCAECADNAK179.6°179.9°
CAFCAECAICAM1.4°0.3°
CAFCAECAICAJ179.4°180.0°
CAECAFCAAH1180.0°179.8°
CAHOAGCACCAD155.7°180.0°
OAGCAHH4H5120.0°120.0°
OAGCAHH4H6120.0°120.0°
OAGCAHH5H6120.0°119.9°
OAGCACCADCAE180.0°179.9°
OAGCACCADNAK0.8°0.0°
OAGCACCABH20.1°0.0°
CACOAGCAHH4180.0°60.0°
CACOAGCAHH560.0°60.0°
CACOAGCAHH660.0°180.0°
CACCADCAENAK179.4°179.9°
CACCADCAECAI179.3°180.0°
CACCADNAKCAJ179.7°179.8°
CACCADNAKCAL1.0°0.3°
CADCACCABH2179.6°180.0°
CADCAECAICAM179.1°179.6°
CADCAECAICAJ1.1°0.2°
CAECADNAKCAJ1.0°0.1°
CAECADNAKCAL179.7°179.8°
CADCAECAFH3180.0°179.9°
CAICAECADNAK0.1°0.1°
CAECAICAMCAJ177.7°179.7°
CAECAICAMCAN173.3°168.5°
CAECAICAJNAK1.8°0.2°
CAECAICAJCAP179.4°179.7°
CAICAECAFH30.6°0.1°
CAECAICAMH1066.6°71.7°
CAECAICAMH1153.1°48.6°
OBBCBACAUH25120.0°120.0°
OBBCBACAUH26120.1°120.0°
OBBCBACAUCAN82.0°177.9°
OBBCBACAUCAV38.1°62.0°
OBBCBACAUCAT154.7°58.2°
OBBCBAH25H26119.9°120.0°
CADNAKCAJCAI1.7°0.2°
CADNAKCAJCAL178.7°179.9°
CADNAKCAJCAP179.2°179.7°
CADNAKCALH7180.0°90.0°
CADNAKCALH860.0°150.0°
CADNAKCALH960.0°30.1°
CAICAMCANH10120.2°119.8°
CAICAMCANH11120.2°119.8°
CAMCAICAJNAK180.0°179.6°
CAMCAICAJCAP2.4°0.5°
CAICAMCANCAU85.5°79.5°
CAICAMCANNAO40.2°44.7°
CAICAMH10H11119.6°120.2°
CAICAMCANH12157.1°162.2°
CANCAMCAICAJ9.0°11.7°
CAMCANCAUCBA1.9°13.1°
CAMCANCAUNAO126.7°124.1°
CAMCANCAUH12117.4°118.4°
CAMCANNAOH12116.6°117.8°
CAMCANCAUCAV116.3°107.0°
CAMCANCAUCAT125.1°133.1°
CAMCANNAOCAZ56.2°48.5°
CAMCANNAOCAP66.2°70.1°
CAMCANNAOCAQ173.2°167.4°
CANCAMH10H11119.5°120.4°
CAICAJNAKCAP177.5°179.9°
CAICAJNAKCAL179.6°179.7°
CAICAJCAPNAO26.2°21.2°
CAICAJCAPCAR94.3°98.9°
CAJCAICAMH10111.2°108.1°
CAJCAICAMH11129.1°131.6°
CAICAJCAPH13146.9°141.6°
CBACAUCANCAV118.1°120.1°
CBACAUCANCAT123.2°120.0°
CBACAUCANNAO124.8°111.0°
CBACAUCAVOAW115.5°120.1°
CBACAUCAVCAT117.4°120.2°
CBACAUCAVOAX62.5°59.9°
CBACAUCATCAR69.8°56.9°
CBACAUCATCAS176.4°170.1°
CBACAUCANH12119.2°131.5°
CBACAUCATH1854.3°66.9°
CAUCBAH25H26119.9°120.0°
CAUCBAOBBH31180.0°180.0°
NAKCAJCAPNAO156.6°158.9°
NAKCAJCAPCAR82.9°81.0°
CAJNAKCALH71.6°89.9°
CAJNAKCALH8121.6°30.2°
CAJNAKCALH9118.4°150.0°
NAKCAJCAPH1336.0°38.5°
CALNAKCAJCAP2.1°0.4°
NAKCALH7H8120.0°120.0°
NAKCALH7H9120.0°120.0°
NAKCALH8H9120.0°119.9°
CAJCAPNAOCAN56.8°54.7°
CAJCAPNAOCAZ66.0°64.4°
CAJCAPNAOCAR119.6°118.2°
CAJCAPNAOH13120.7°120.0°
CAJCAPNAOCAQ178.3°176.4°
CAJCAPCARH13119.3°119.5°
CAJCAPCARCAT116.9°111.5°
CAJCAPCARH163.2°8.4°
CAJCAPCARH17123.0°128.6°
CAUCANNAOH12115.5°117.9°
CANCAUCAVOAW7.7°0.0°
CANCAUCAVCAT119.4°119.7°
CANCAUCAVOAX174.3°180.0°
CAUCANNAOCAZ175.9°172.8°
CAUCANNAOCAP61.7°54.1°
CAUCANNAOCAQ59.0°68.3°
CANCAUCATCAR56.1°63.0°
CANCAUCATCAS57.7°50.2°
CAUCANCAMH10154.3°160.7°
CAUCANCAMH1134.6°40.3°
CANCAUCATH18179.8°173.2°
CANCAUCBAH25158.0°62.1°
CANCAUCBAH2638.0°57.9°
NAOCANCAUCAV117.0°128.9°
NAOCANCAUCAT1.6°9.0°
CANNAOCAZCAP121.5°120.2°
CANNAOCAZCAQ120.3°119.4°
CANNAOCAPCAQ121.5°121.8°
CANNAOCAPCAR62.9°63.5°
CANNAOCAQCAS58.3°58.2°
NAOCANCAMH1080.0°75.1°
NAOCANCAMH11160.3°164.5°
CANNAOCAPH13177.5°174.7°
CANNAOCAQH14178.0°61.0°
CANNAOCAQH1561.5°177.6°
CANNAOCAZH22180.0°60.0°
CANNAOCAZH2360.0°180.0°
CANNAOCAZH2460.0°59.9°
OAWCAVCAUOAX178.1°180.0°
OAWCAVCAUCAT127.1°119.7°
OAWCAVOAXCAY22.2°0.0°
CAUCAVOAXCAY159.8°180.0°
CAVCAUCATCAR175.2°177.0°
CAVCAUCATCAS61.4°69.8°
CAVCAUCANH121.1°11.4°
CAVCAUCATH1860.7°53.3°
CAVCAUCBAH2581.9°58.0°
CAVCAUCBAH26158.1°178.0°
CATCAUCAVOAX54.9°60.3°
CAUCATCARCAP55.2°53.8°
CAUCATCARCAS114.2°113.8°
CAUCATCARH18124.1°124.0°
CAUCATCASH18121.8°123.3°
CAUCATCASCAQ60.1°60.1°
CAUCATCASCBC120.7°119.9°
CATCAUCANH12117.5°108.6°
CAUCATCARH1664.9°66.1°
CAUCATCARH17175.3°173.7°
CATCAUCBAH2534.7°178.2°
CATCAUCBAH2685.2°61.8°
CAVOAXCAYH19180.0°180.0°
CAVOAXCAYH2060.0°60.0°
CAVOAXCAYH2160.0°60.0°
CAZNAOCAPCAQ115.7°119.2°
CAZNAOCAPCAR174.3°177.4°
CAZNAOCAQCAS178.8°177.1°
CAZNAOCANH1260.3°69.3°
CAZNAOCAPH1354.7°55.6°
CAZNAOCAQH1461.4°57.9°
CAZNAOCAQH1559.1°63.5°
NAOCAZH22H23120.0°120.0°
NAOCAZH22H24120.0°119.9°
NAOCAZH23H24120.0°120.0°
OAXCAYH19H20120.0°119.9°
OAXCAYH19H21120.0°120.0°
OAXCAYH20H21120.0°120.0°
NAOCAPCARH13120.0°122.2°
NAOCAPCARCAT3.8°6.9°
CAPNAOCAQCAS62.1°64.2°
CAPNAOCANH12177.2°172.0°
CAPNAOCAQH1457.6°176.7°
CAPNAOCAQH15178.1°55.2°
NAOCAPCARH16123.9°126.8°
NAOCAPCARH17116.3°113.0°
CAPNAOCAZH2258.5°179.8°
CAPNAOCAZH2361.5°59.7°
CAPNAOCAZH24178.5°60.3°
CAQNAOCAPCAR58.6°58.2°
NAOCAQCASCAT2.5°5.7°
NAOCAQCASH14119.7°119.2°
NAOCAQCASH15119.8°119.4°
NAOCAQCASCBC178.3°174.4°
CAQNAOCANH1256.6°49.6°
CAQNAOCAPH1361.0°63.6°
NAOCAQH14H15120.8°121.5°
CAQNAOCAZH2259.7°59.4°
CAQNAOCAZH23179.7°60.6°
CAQNAOCAZH2460.3°179.3°
CAPCARCATH16120.1°119.9°
CAPCARCATH17120.1°119.9°
CAPCARCATCAS59.0°60.0°
CAPCARH16H17119.7°120.2°
CAPCARCATH18179.3°177.8°
CARCATCASH18121.4°122.2°
CARCATCASCAQ56.8°54.4°
CARCATCASCBC122.4°125.6°
CATCARCAPH13123.8°129.0°
CATCARH16H17119.7°120.2°
CATCASCAQCBC179.2°180.0°
CATCASCBCCBD0.5°0.0°
CATCASCAQH14117.3°124.8°
CATCASCAQH15122.2°113.8°
CASCATCARH16179.1°179.9°
CASCATCARH1761.1°59.9°
CATCASCBCH27179.5°180.0°
CAQCASCBCCBD179.6°180.0°
CASCAQH14H15120.8°121.5°
CAQCASCATH18178.1°176.5°
CAQCASCBCH270.3°0.0°
CASCBCCBDH27180.0°180.0°
CBCCASCAQH1462.0°55.2°
CBCCASCAQH1558.5°66.2°
CBCCASCATH181.1°3.4°
CASCBCCBDH28180.0°60.0°
CASCBCCBDH2960.0°60.0°
CASCBCCBDH3060.0°180.0°
CBCCBDH28H29120.0°120.0°
CBCCBDH28H30120.0°120.0°
CBCCBDH29H30120.0°119.9°
H1CAACABH20.1°0.3°
H1CAACAFH30.1°0.2°
H4CAHH5H6119.9°120.0°
H7CALH8H9120.0°120.0°
H10CAMCANH1237.0°42.4°
H11CAMCANH1282.7°78.0°
H13CAPCARH16116.1°111.1°
H13CAPCARH173.7°9.2°
H16CARCATH1859.2°57.9°
H17CARCATH1860.6°62.3°
H19CAYH20H21120.0°120.1°
H22CAZH23H24120.0°120.0°
H25CBAOBBH3159.9°60.0°
H26CBAOBBH3160.0°60.0°
H27CBCCBDH280.0°120.0°
H27CBCCBDH29120.0°119.9°
H27CBCCBDH30120.0°0.0°
H28CBDH29H30120.0°120.0°

223532

PDB entries from 2024-08-07

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