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0BR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAQCATdoub1.39Å1.39ÅAromatic
CAQCANsing1.37Å1.39ÅAromatic
CATNADsing1.31Å1.32ÅAromatic
OAACALsing1.43Å1.43Å
CALCANsing1.51Å1.53Å
CALCAFsing1.53Å1.53Å
CANCAPdoub1.41Å1.39ÅAromatic
NADCARdoub1.34Å1.34ÅAromatic
CAPCARsing1.42Å1.39ÅAromatic
CAPCASsing1.40Å1.39ÅAromatic
CARCAUsing1.41Å1.39ÅAromatic
CASCAVdoub1.37Å1.39ÅAromatic
CAUCAWdoub1.36Å1.39ÅAromatic
CAVCAWsing1.40Å1.39ÅAromatic
CAVOABsing1.36Å1.36Å
OABCAXsing1.43Å1.43Å
CAFNACsing1.47Å1.47Å
CAFCAGsing1.53Å1.53Å
NACCAJsing1.47Å1.47Å
NACCAKsing1.47Å1.47Å
CAJCAHsing1.53Å1.53Å
CAGCAEsing1.53Å1.52Å
CAKCAIsing1.53Å1.53Å
CAHCAEsing1.53Å1.52Å
CAHCAMsing1.53Å1.53Å
CAECAIsing1.53Å1.52Å
CAMCAOsing1.53Å1.39Å
CAXH1sing1.09Å1.10Å
CAXH2sing1.09Å1.10Å
CAXH3sing1.09Å1.10Å
CASH4sing1.08Å1.08Å
CAWH5sing1.08Å1.08Å
CAUH6sing1.08Å1.08Å
CATH7sing1.08Å1.08Å
CAQH8sing1.08Å1.08Å
CALH9sing1.09Å1.10Å
OAAH10sing0.97Å0.95Å
CAFH11sing1.09Å1.10Å
CAGH12sing1.09Å1.10Å
CAGH13sing1.09Å1.10Å
CAEH14sing1.09Å1.10Å
CAIH15sing1.09Å1.10Å
CAIH16sing1.09Å1.10Å
CAKH17sing1.09Å1.10Å
CAKH18sing1.09Å1.10Å
CAJH20sing1.09Å1.10Å
CAJH21sing1.09Å1.10Å
CAHH22sing1.09Å1.10Å
CAMH23sing1.09Å1.10Å
CAMH24sing1.09Å1.10Å
CAOH25sing1.09Å1.10Å
CAOH26sing1.09Å1.10Å
CAOH27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CATCAQCAN119.2°120.0°
CAQCATNAD120.8°121.7°
CAQCATH7119.6°119.1°
CATCAQH8120.4°120.1°
CAQCANCAL120.6°121.0°
CAQCANCAP118.8°118.1°
CANCAQH8120.4°120.0°
CATNADCAR121.4°121.3°
NADCATH7119.6°119.1°
OAACALCAN109.5°109.4°
OAACALCAF109.5°109.4°
OAACALH9110.4°109.5°
CALOAAH10109.5°114.1°
CANCALCAF109.5°109.4°
CALCANCAP120.6°120.9°
CANCALH9109.0°109.5°
CALCAFNAC109.5°109.5°
CALCAFCAG111.0°109.5°
CAFCALH9109.0°109.5°
CALCAFH11108.5°109.5°
CANCAPCAR119.3°119.0°
CANCAPCAS120.4°121.3°
NADCARCAP120.3°119.8°
NADCARCAU119.9°121.0°
CARCAPCAS120.2°119.7°
CAPCARCAU119.8°119.2°
CAPCASCAV119.9°119.6°
CAPCASH4120.1°120.2°
CARCAUCAW120.0°119.8°
CARCAUH6120.0°120.1°
CASCAVCAW120.0°120.7°
CASCAVOAB120.0°119.7°
CAVCASH4120.1°120.2°
CAUCAWCAV120.1°121.0°
CAUCAWH5120.0°119.5°
CAWCAUH6120.0°120.0°
CAWCAVOAB120.0°119.6°
CAVCAWH5120.0°119.5°
CAVOABCAX109.5°117.0°
OABCAXH1109.5°109.4°
OABCAXH2109.5°109.5°
OABCAXH3109.5°109.5°
NACCAFCAG110.0°109.4°
CAFNACCAJ110.5°111.1°
CAFNACCAK110.5°111.1°
NACCAFH11109.2°109.5°
CAFCAGCAE108.3°108.8°
CAGCAFH11108.5°109.5°
CAFCAGH12109.8°109.6°
CAFCAGH13109.8°109.6°
CAJNACCAK110.5°111.0°
NACCAJCAH109.3°109.3°
NACCAJH20109.5°109.5°
NACCAJH21109.5°109.5°
NACCAKCAI109.3°109.3°
NACCAKH17109.5°109.5°
NACCAKH18109.5°109.5°
CAJCAHCAE109.2°108.9°
CAJCAHCAM109.7°109.6°
CAHCAJH20109.5°109.5°
CAHCAJH21109.5°109.5°
CAJCAHH22109.4°109.6°
CAGCAECAH109.4°108.6°
CAGCAECAI107.9°108.6°
CAECAGH12109.8°109.5°
CAECAGH13109.8°109.6°
CAGCAEH14110.0°110.1°
CAKCAICAE109.1°108.8°
CAKCAIH15109.6°109.5°
CAKCAIH16109.6°109.7°
CAICAKH17109.5°109.5°
CAICAKH18109.5°109.5°
CAECAHCAM109.7°109.6°
CAHCAECAI109.4°108.6°
CAHCAEH14110.0°110.8°
CAECAHH22109.5°109.6°
CAHCAMCAO120.0°109.5°
CAMCAHH22109.4°109.7°
CAHCAMH23106.8°109.4°
CAHCAMH24106.8°109.5°
CAICAEH14110.0°110.1°
CAECAIH15109.6°109.6°
CAECAIH16109.6°109.6°
CAOCAMH23106.8°109.5°
CAOCAMH24106.8°109.5°
CAMCAOH25109.5°109.5°
CAMCAOH26109.5°109.4°
CAMCAOH27109.5°109.5°
H1CAXH2109.5°109.4°
H1CAXH3109.5°109.5°
H2CAXH3109.5°109.5°
H12CAGH13109.4°109.7°
H15CAIH16109.5°109.6°
H17CAKH18109.4°109.6°
H20CAJH21109.5°109.6°
H23CAMH24109.5°109.5°
H25CAOH26109.5°109.5°
H25CAOH27109.4°109.5°
H26CAOH27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CATCAQCANH8180.0°180.0°
CAQCATNADH7180.0°180.0°
CATCAQCANCAL179.9°179.9°
CATCAQCANCAP0.0°0.0°
CAQCATNADCAR0.0°0.0°
CANCAQCATNAD0.0°0.0°
CAQCANCALOAA7.3°25.0°
CAQCANCALCAP180.0°179.9°
CAQCANCALCAF127.4°94.9°
CAQCANCAPCAR0.0°0.0°
CAQCANCAPCAS180.0°180.0°
CANCAQCATH7179.9°180.0°
CAQCANCALH9113.5°145.1°
CATNADCARCAP0.0°0.0°
CATNADCARCAU180.0°179.7°
NADCATCAQH8179.9°180.0°
OAACALCANCAF120.1°119.9°
OAACALCANH9120.8°120.1°
OAACALCAFH9120.8°120.0°
OAACALCANCAP172.7°154.9°
OAACALCAFNAC22.5°68.2°
OAACALCAFCAG99.1°51.6°
OAACALCAFH11141.7°171.7°
CANCALCAFH9119.1°120.0°
CALCANCAPCAR180.0°179.9°
CALCANCAPCAS0.0°0.1°
CANCALCAFNAC142.7°171.8°
CANCALCAFCAG21.0°68.3°
CALCANCAQH80.1°0.1°
CANCALOAAH10180.0°60.0°
CANCALCAFH1198.2°51.8°
CAFCALCANCAP52.6°85.2°
CALCAFNACCAG122.2°120.0°
CALCAFNACH11118.7°120.0°
CALCAFCAGH11119.1°120.0°
CALCAFNACCAJ60.5°57.9°
CALCAFNACCAK176.9°178.0°
CALCAFCAGCAE120.6°120.0°
CAFCALOAAH1059.9°60.0°
CALCAFCAGH120.8°0.2°
CALCAFCAGH13119.5°120.2°
CANCAPCARNAD0.0°0.0°
CANCAPCARCAS180.0°180.0°
CANCAPCARCAU180.0°179.7°
CANCAPCASCAV180.0°180.0°
CANCAPCASH40.1°0.0°
CAPCANCAQH8180.0°180.0°
CAPCANCALH966.5°34.8°
NADCARCAPCAU180.0°179.7°
NADCARCAPCAS180.0°179.9°
NADCARCAUCAW180.0°179.8°
NADCARCAUH60.0°0.3°
CARNADCATH7180.0°180.0°
CARCAPCASCAV0.0°0.0°
CAPCARCAUCAW0.0°0.5°
CARCAPCASH4180.0°180.0°
CAPCARCAUH6180.0°180.0°
CASCAPCARCAU0.0°0.3°
CAPCASCAVH4180.0°180.0°
CAPCASCAVCAW0.0°0.0°
CAPCASCAVOAB180.0°179.8°
CARCAUCAWH6180.0°179.5°
CARCAUCAWCAV0.0°0.5°
CARCAUCAWH5179.9°179.4°
CASCAVCAWCAU0.0°0.2°
CASCAVCAWOAB180.0°179.8°
CASCAVOABCAX3.3°179.7°
CASCAVCAWH5179.9°179.7°
CAUCAWCAVH5180.0°179.9°
CAUCAWCAVOAB180.0°180.0°
CAWCAVOABCAX176.7°0.1°
CAWCAVCASH4179.9°179.9°
CAVCAWCAUH6179.9°180.0°
CAVOABCAXH1180.0°60.0°
CAVOABCAXH260.0°59.9°
CAVOABCAXH360.0°180.0°
OABCAVCASH40.0°0.3°
OABCAVCAWH50.0°0.1°
OABCAXH1H2120.0°120.0°
OABCAXH1H3120.0°120.0°
OABCAXH2H3120.0°120.1°
NACCAFCAGH11119.5°120.0°
CAFNACCAJCAK122.6°124.1°
CAFNACCAJCAH61.1°62.0°
NACCAFCAGCAE0.7°0.0°
CAFNACCAKCAI60.2°62.0°
NACCAFCALH998.2°51.8°
NACCAFCAGH12120.6°119.8°
NACCAFCAGH13119.1°119.8°
CAFNACCAKH1759.8°178.1°
CAFNACCAKH18179.8°58.0°
CAFNACCAJH20179.0°178.1°
CAFNACCAJH2158.9°57.9°
CAGCAFNACCAJ61.8°62.0°
CAGCAFNACCAK60.9°62.0°
CAFCAGCAEH12119.8°119.8°
CAFCAGCAEH13119.8°119.8°
CAFCAGCAECAH58.6°59.0°
CAFCAGCAECAI60.4°59.0°
CAGCAFCALH9140.1°171.7°
CAFCAGH12H13120.5°120.4°
CAFCAGCAEH14179.5°179.6°
NACCAJCAHH20120.0°119.9°
NACCAJCAHH21120.0°119.9°
CAJNACCAKCAI62.4°62.1°
NACCAJCAHCAE0.0°0.0°
NACCAJCAHCAM120.2°119.9°
CAJNACCAFH11179.2°178.0°
CAJNACCAKH17177.6°57.8°
CAJNACCAKH1857.5°177.9°
NACCAJH20H21120.1°120.1°
NACCAJCAHH22119.8°119.7°
CAKNACCAJCAH61.5°62.1°
NACCAKCAIH17120.0°119.9°
NACCAKCAIH18120.0°119.9°
NACCAKCAICAE1.5°0.1°
CAKNACCAFH1158.2°58.0°
NACCAKCAIH15118.4°119.9°
NACCAKCAIH16121.4°119.8°
NACCAKH17H18120.1°120.0°
CAKNACCAJH2058.4°57.8°
CAKNACCAJH21178.5°178.0°
CAJCAHCAECAG59.3°59.0°
CAJCAHCAECAM120.3°119.8°
CAJCAHCAEH22119.7°119.8°
CAJCAHCAMH22120.0°120.3°
CAJCAHCAECAI58.7°58.9°
CAJCAHCAMCAO124.8°65.0°
CAJCAHCAEH14179.7°179.9°
CAHCAJH20H21120.1°120.1°
CAJCAHCAMH233.3°175.1°
CAJCAHCAMH24113.8°55.0°
CAGCAECAICAK61.2°59.1°
CAGCAECAHCAI118.1°118.0°
CAGCAECAHH14120.9°121.0°
CAGCAECAHCAM179.6°178.8°
CAGCAECAIH14120.0°120.6°
CAECAGCAFH11120.2°120.0°
CAECAGH12H13120.6°120.3°
CAGCAECAIH1558.8°178.8°
CAGCAECAIH16178.9°60.9°
CAGCAECAHH2260.4°60.8°
CAKCAICAECAH57.8°58.9°
CAKCAICAEH15119.9°119.8°
CAKCAICAEH16119.9°120.0°
CAKCAICAEH14178.8°179.6°
CAKCAIH15H16120.2°120.4°
CAICAKH17H18120.0°120.1°
CAECAHCAMH22120.1°120.3°
CAHCAECAIH14121.0°121.4°
CAECAHCAMCAO4.8°175.6°
CAHCAECAGH1261.3°60.8°
CAHCAECAGH13178.4°178.8°
CAHCAECAIH15177.7°60.8°
CAHCAECAIH1662.1°178.9°
CAECAHCAJH20120.0°119.9°
CAECAHCAJH21120.0°120.0°
CAECAHCAMH23116.6°55.7°
CAECAHCAMH24126.3°64.4°
CAMCAHCAECAI61.5°60.9°
CAHCAMCAOH23121.5°119.9°
CAHCAMCAOH24121.5°120.0°
CAMCAHCAEH1459.5°60.1°
CAMCAHCAJH200.3°0.1°
CAMCAHCAJH21119.8°120.2°
CAHCAMH23H24115.2°120.0°
CAHCAMCAOH25180.0°180.0°
CAHCAMCAOH2660.0°60.0°
CAHCAMCAOH2760.0°60.0°
CAICAECAGH12179.7°178.8°
CAICAECAGH1359.4°60.8°
CAECAIH15H16120.2°120.3°
CAECAICAKH17121.5°119.8°
CAECAICAKH18118.5°120.0°
CAICAECAHH22178.5°178.7°
CAOCAMCAHH22115.2°55.3°
CAOCAMH23H24115.2°120.0°
CAMCAOH25H26120.0°119.9°
CAMCAOH25H27120.0°120.0°
CAMCAOH26H27120.0°120.0°
H1CAXH2H3120.0°120.0°
H5CAWCAUH60.1°0.0°
H7CATCAQH80.1°0.0°
H9CALOAAH1060.1°180.0°
H9CALCAFH1120.9°68.3°
H11CAFCAGH12119.9°120.2°
H11CAFCAGH130.4°0.2°
H12CAGCAEH1459.7°60.6°
H13CAGCAEH1460.6°59.8°
H14CAECAIH1561.3°60.6°
H14CAECAIH1658.9°59.7°
H14CAECAHH2260.6°60.3°
H15CAICAKH171.6°0.0°
H15CAICAKH18121.6°120.2°
H16CAICAKH17118.5°120.3°
H16CAICAKH181.5°0.1°
H20CAJCAHH22120.3°120.3°
H21CAJCAHH220.2°0.2°
H22CAHCAMH23123.3°64.6°
H22CAHCAMH246.2°175.3°
H23CAMCAOH2558.5°60.1°
H23CAMCAOH26178.5°180.0°
H23CAMCAOH2761.5°60.0°
H24CAMCAOH2558.5°60.0°
H24CAMCAOH2661.5°60.0°
H24CAMCAOH27178.5°180.0°
H25CAOH26H27119.9°120.1°

223532

PDB entries from 2024-08-07

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