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96T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBCOBDsing1.43Å1.42Å
CBCCBBsing1.53Å1.53Å
CARCASdoub1.38Å1.40ÅAromatic
CARCACsing1.38Å1.39ÅAromatic
CBBCAZsing1.53Å1.54Å
CASCATsing1.40Å1.36ÅAromatic
CACCADdoub1.39Å1.39ÅAromatic
CATCAEdoub1.40Å1.35ÅAromatic
CATNAUsing1.36Å1.36Å
CAZNAUsing1.47Å1.49Å
CADCAEsing1.37Å1.35ÅAromatic
CAECAFsing1.51Å1.39Å
NAUCAGdoub1.31Å1.35Å
CAPCAFsing1.53Å1.56Å
CAGCAFsing1.51Å1.42Å
CAGCAHsing1.40Å1.37Å
CAFCAAsing1.53Å1.54Å
CAHCAIdoub1.36Å1.56Å
CAICAJsing1.41Å1.56Å
CBACBEsing1.53Å1.58Å
CBANAVsing1.47Å1.50Å
CBECBFsing1.53Å1.37Å
CAJCAKdoub1.35Å1.37Å
NAVCAKsing1.37Å1.36Å
NAVCAWsing1.39Å1.36Å
CAKCALsing1.51Å1.42Å
CBFOBGsing1.43Å1.06Å
CAWCAXdoub1.39Å1.36ÅAromatic
CAWCAMsing1.39Å1.35ÅAromatic
CAXCAYsing1.38Å1.39ÅAromatic
CAQCALsing1.53Å1.55Å
CALCAMsing1.51Å1.39Å
CALCABsing1.53Å1.55Å
CAMCANdoub1.38Å1.35ÅAromatic
CAYCAOdoub1.38Å1.39ÅAromatic
CANCAOsing1.38Å1.39ÅAromatic
OBDH1sing0.97Å0.95Å
CBCH2sing1.09Å1.10Å
CBCH3sing1.09Å1.10Å
CBBH4sing1.09Å1.10Å
CBBH5sing1.09Å1.10Å
CAZH6sing1.09Å1.10Å
CAZH7sing1.09Å1.10Å
CASH8sing1.08Å1.08Å
CARH9sing1.08Å1.08Å
CACH10sing1.08Å1.08Å
CADH11sing1.08Å1.08Å
CAPH12sing1.09Å1.10Å
CAPH13sing1.09Å1.10Å
CAPH14sing1.09Å1.10Å
CAAH15sing1.09Å1.10Å
CAAH16sing1.09Å1.10Å
CAAH17sing1.09Å1.10Å
CAHH18sing1.08Å1.08Å
CAIH19sing1.08Å1.08Å
CAJH21sing1.08Å1.08Å
CAQH22sing1.09Å1.10Å
CAQH23sing1.09Å1.10Å
CAQH24sing1.09Å1.10Å
CABH25sing1.09Å1.10Å
CABH26sing1.09Å1.10Å
CABH27sing1.09Å1.10Å
CANH28sing1.08Å1.08Å
CAOH29sing1.08Å1.08Å
CAYH30sing1.08Å1.08Å
CAXH31sing1.08Å1.08Å
CBAH32sing1.09Å1.10Å
CBAH33sing1.09Å1.10Å
CBEH34sing1.09Å1.10Å
CBEH35sing1.09Å1.10Å
CBFH36sing1.09Å1.10Å
CBFH20sing1.09Å1.10Å
OBGH37sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBDCBCCBB108.1°109.5°
CBCOBDH1109.5°114.0°
OBDCBCH2109.8°109.5°
OBDCBCH3109.8°109.4°
CBCCBBCAZ111.9°109.5°
CBBCBCH2109.8°109.5°
CBBCBCH3109.8°109.5°
CBCCBBH4108.9°109.4°
CBCCBBH5108.8°109.5°
CASCARCAC118.4°120.6°
CARCASCAT122.3°120.0°
CARCASH8118.9°120.0°
CASCARH9120.8°119.7°
CARCACCAD117.7°120.0°
CACCARH9120.8°119.7°
CARCACH10121.1°120.0°
CBBCAZNAU111.4°109.5°
CAZCBBH4108.9°109.5°
CAZCBBH5108.9°109.5°
CBBCAZH6109.0°109.5°
CBBCAZH7109.0°109.5°
CASCATCAE118.4°118.7°
CASCATNAU131.7°131.1°
CATCASH8118.9°120.0°
CACCADCAE121.4°119.9°
CADCACH10121.1°120.0°
CACCADH11119.3°120.0°
CAECATNAU109.6°110.2°
CATCAECAD121.7°120.9°
CATCAECAF108.0°105.4°
CATNAUCAZ117.9°123.1°
CATNAUCAG108.6°113.7°
CAZNAUCAG133.2°123.1°
NAUCAZH6109.0°109.5°
NAUCAZH7109.0°109.5°
CADCAECAF130.2°133.7°
CAECADH11119.3°120.1°
CAECAFCAP110.3°110.6°
CAECAFCAG105.6°103.2°
CAECAFCAA108.9°110.7°
NAUCAGCAF107.6°107.4°
NAUCAGCAH133.6°126.3°
CAPCAFCAG111.6°111.0°
CAPCAFCAA110.0°110.6°
CAFCAPH12109.5°109.5°
CAFCAPH13109.5°109.5°
CAFCAPH14109.5°109.5°
CAFCAGCAH118.8°126.3°
CAGCAFCAA110.3°110.5°
CAGCAHCAI131.2°120.0°
CAGCAHH18114.4°120.0°
CAFCAAH15109.5°109.5°
CAFCAAH16109.5°109.5°
CAFCAAH17109.4°109.5°
CAHCAICAJ112.5°120.0°
CAICAHH18114.4°120.0°
CAHCAIH19123.7°120.0°
CAICAJCAK131.0°120.0°
CAJCAIH19123.7°120.0°
CAICAJH21114.5°120.0°
CBECBANAV118.1°109.5°
CBACBECBF110.7°109.5°
CBECBAH32107.3°109.4°
CBECBAH33107.3°109.5°
CBACBEH34109.1°109.4°
CBACBEH35109.2°109.5°
CBANAVCAK133.8°124.1°
CBANAVCAW118.4°124.1°
NAVCBAH32107.2°109.4°
NAVCBAH33107.3°109.5°
CBECBFOBG140.9°109.5°
CBFCBEH34109.2°109.5°
CBFCBEH35109.1°109.4°
CBECBFH36101.1°109.5°
CBECBFH20101.1°109.4°
CAJCAKNAV133.2°126.6°
CAJCAKCAL118.4°126.6°
CAKCAJH21114.5°120.0°
CAKNAVCAW107.6°111.8°
NAVCAKCAL108.3°106.8°
NAVCAWCAX131.3°130.6°
NAVCAWCAM109.9°110.4°
CAKCALCAQ111.4°110.5°
CAKCALCAM105.3°104.2°
CAKCALCAB112.4°110.5°
OBGCBFH36101.1°109.5°
OBGCBFH20101.1°109.4°
CBFOBGH37109.5°114.0°
CAXCAWCAM118.7°119.0°
CAWCAXCAY122.2°120.1°
CAWCAXH31118.9°119.9°
CAWCAMCAL108.7°106.7°
CAWCAMCAN121.3°120.7°
CAXCAYCAO118.3°120.4°
CAXCAYH30120.9°119.8°
CAYCAXH31118.9°120.0°
CAQCALCAM108.0°110.5°
CAQCALCAB109.9°110.5°
CALCAQH22109.5°109.5°
CALCAQH23109.5°109.4°
CALCAQH24109.5°109.5°
CAMCALCAB109.6°110.5°
CALCAMCAN129.9°132.5°
CALCABH25109.5°109.4°
CALCABH26109.5°109.5°
CALCABH27109.5°109.5°
CAMCANCAO121.5°120.0°
CAMCANH28119.2°120.1°
CAYCAOCAN118.0°119.8°
CAYCAOH29121.0°120.1°
CAOCAYH30120.8°119.8°
CAOCANH28119.3°120.0°
CANCAOH29121.0°120.1°
H2CBCH3109.5°109.5°
H4CBBH5109.5°109.5°
H6CAZH7109.5°109.4°
H12CAPH13109.5°109.5°
H12CAPH14109.5°109.5°
H13CAPH14109.5°109.4°
H15CAAH16109.5°109.4°
H15CAAH17109.5°109.5°
H16CAAH17109.5°109.5°
H22CAQH23109.5°109.5°
H22CAQH24109.4°109.6°
H23CAQH24109.5°109.4°
H25CABH26109.5°109.5°
H25CABH27109.5°109.5°
H26CABH27109.4°109.5°
H32CBAH33109.5°109.5°
H34CBEH35109.5°109.5°
H36CBFH20109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBDCBCCBBH2119.8°120.0°
OBDCBCCBBH3119.8°120.0°
OBDCBCCBBCAZ84.1°175.1°
OBDCBCH2H3120.6°120.0°
OBDCBCCBBH436.2°64.9°
OBDCBCCBBH5155.5°55.0°
CBCCBBCAZH4120.4°120.0°
CBCCBBCAZH5120.4°120.0°
CBCCBBCAZNAU137.5°174.8°
CBBCBCOBDH1180.0°180.0°
CBBCBCH2H3120.7°120.0°
CBCCBBH4H5118.9°120.0°
CBCCBBCAZH617.2°54.8°
CBCCBBCAZH7102.3°65.2°
CASCARCACH9180.0°180.0°
CARCASCATH8180.0°180.0°
CASCARCACCAD0.3°0.0°
CARCASCATCAE3.2°0.0°
CARCASCATNAU176.6°179.9°
CASCARCACH10179.6°179.9°
CACCARCASCAT1.2°0.0°
CARCACCADH10180.0°179.9°
CARCACCADCAE0.1°0.1°
CACCARCASH8178.8°180.0°
CARCACCADH11179.9°179.9°
CBBCAZNAUCAT72.2°63.3°
CBBCAZNAUH6120.3°120.0°
CBBCAZNAUH7120.3°120.0°
CBBCAZNAUCAG100.0°116.4°
CAZCBBCBCH2156.1°55.1°
CAZCBBCBCH335.7°64.9°
CAZCBBH4H5118.9°120.0°
CBBCAZH6H7119.1°120.0°
CASCATCAENAU174.8°180.0°
CASCATNAUCAZ2.2°0.1°
CASCATCAECAD3.7°0.0°
CASCATCAECAF177.4°180.0°
CASCATNAUCAG171.7°179.8°
CATCASCARH9178.8°180.0°
CACCADCAECAT2.2°0.0°
CACCADCAEH11180.0°180.0°
CACCADCAECAF179.1°180.0°
CADCACCARH9179.6°180.0°
CAECATNAUCAZ176.1°180.0°
CATCAECADCAF178.7°180.0°
CAECATNAUCAG2.1°0.3°
CATCAECAFCAP126.7°118.6°
CATCAECAFCAG6.0°0.2°
CATCAECAFCAA112.5°118.5°
CAECATCASH8176.8°180.0°
CATCAECADH11177.8°180.0°
CATNAUCAZCAG172.1°179.7°
NAUCATCAECAD178.5°180.0°
NAUCATCAECAF2.6°0.0°
CATNAUCAGCAF5.9°0.4°
CATNAUCAGCAH175.6°179.7°
CATNAUCAZH648.1°176.7°
CATNAUCAZH7167.6°56.7°
NAUCATCASH83.4°0.1°
CAZNAUCAGCAF178.5°179.9°
CAZNAUCAGCAH3.0°0.0°
NAUCAZCBBH4102.2°65.3°
NAUCAZCBBH517.1°54.7°
NAUCAZH6H7119.1°120.0°
CADCAECAFCAP54.4°61.3°
CADCAECAFCAG175.2°179.8°
CADCAECAFCAA66.3°61.6°
CAECADCACH10179.9°179.9°
CAECAFCAGNAU7.3°0.3°
CAECAFCAPCAG117.1°114.0°
CAECAFCAPCAA120.1°123.0°
CAECAFCAGCAA117.5°118.4°
CAECAFCAGCAH174.0°179.7°
CAFCAECADH110.9°0.0°
CAECAFCAPH12180.0°61.4°
CAECAFCAPH1360.0°178.5°
CAECAFCAPH1460.0°58.6°
CAECAFCAAH15180.0°58.6°
CAECAFCAAH1660.0°178.6°
CAECAFCAAH1760.0°61.4°
NAUCAGCAFCAP127.1°118.2°
NAUCAGCAFCAH178.8°179.9°
NAUCAGCAFCAA110.3°118.7°
NAUCAGCAHCAI1.5°40.2°
CAGNAUCAZH6139.7°3.6°
CAGNAUCAZH720.3°123.6°
NAUCAGCAHH18178.5°139.9°
CAPCAFCAGCAA122.6°123.1°
CAPCAFCAGCAH54.1°61.7°
CAFCAPH12H13120.0°120.0°
CAFCAPH12H14120.0°120.0°
CAFCAPH13H14120.0°120.0°
CAPCAFCAAH1559.1°178.5°
CAPCAFCAAH1661.0°58.5°
CAPCAFCAAH17179.1°61.5°
CAFCAGCAHCAI179.8°139.7°
CAGCAFCAPH1262.9°175.4°
CAGCAFCAPH1357.1°64.6°
CAGCAFCAPH14177.1°55.4°
CAGCAFCAAH1564.5°55.2°
CAGCAFCAAH16175.5°64.8°
CAGCAFCAAH1755.5°175.2°
CAFCAGCAHH180.2°40.2°
CAHCAGCAFCAA68.5°61.3°
CAGCAHCAIH18180.0°179.9°
CAGCAHCAICAJ179.7°173.2°
CAGCAHCAIH190.3°6.7°
CAACAFCAPH1259.9°61.5°
CAACAFCAPH13179.9°58.5°
CAACAFCAPH1460.1°178.4°
CAFCAAH15H16120.0°120.0°
CAFCAAH15H17120.0°120.0°
CAFCAAH16H17120.0°120.0°
CAHCAICAJH19180.0°179.9°
CAHCAICAJCAK180.0°179.5°
CAHCAICAJH210.0°0.4°
CAICAJCAKH21180.0°179.9°
CAICAJCAKNAV2.5°10.3°
CAICAJCAKCAL179.6°170.0°
CAJCAICAHH180.3°6.9°
CBECBANAVH32121.2°120.0°
CBECBANAVH33121.2°120.1°
CBACBECBFH34120.2°120.0°
CBACBECBFH35120.2°120.0°
CBECBANAVCAK110.6°82.3°
CBECBANAVCAW74.5°97.5°
CBACBECBFOBG147.7°174.8°
CBECBAH32H33116.1°120.0°
CBACBEH34H35119.4°120.0°
CBACBECBFH3688.7°54.7°
CBACBECBFH2024.0°65.3°
NAVCBACBECBF46.4°175.1°
CBANAVCAKCAJ3.4°0.1°
CBANAVCAKCAW175.3°179.8°
CBANAVCAKCAL179.2°179.8°
CBANAVCAWCAX0.7°0.1°
CBANAVCAWCAM178.9°179.8°
NAVCBAH32H33116.1°120.0°
NAVCBACBEH3473.8°55.0°
NAVCBACBEH35166.6°64.9°
CBECBFOBGH36123.7°120.1°
CBECBFOBGH20123.7°119.9°
CBFCBECBAH3274.8°65.0°
CBFCBECBAH33167.6°55.0°
CBFCBEH34H35119.4°120.0°
CBECBFH36H20106.2°120.0°
CBECBFOBGH37180.0°180.0°
CAJCAKNAVCAL177.4°179.7°
CAJCAKNAVCAW178.7°179.9°
CAJCAKCALCAQ61.7°61.3°
CAJCAKCALCAM178.6°180.0°
CAJCAKCALCAB62.2°61.3°
CAKCAJCAIH190.0°0.6°
CAKNAVCAWCAX176.9°179.9°
CAKNAVCAWCAM2.7°0.4°
NAVCAKCALCAQ120.5°118.9°
NAVCAKCALCAM3.6°0.3°
NAVCAKCALCAB115.6°118.5°
NAVCAKCAJH21177.5°169.7°
CAKNAVCBAH32128.1°157.8°
CAKNAVCBAH3310.6°37.8°
CAWNAVCAKCAL3.9°0.4°
NAVCAWCAXCAM179.6°179.7°
NAVCAWCAXCAY179.6°179.7°
NAVCAWCAMCAL0.4°0.2°
NAVCAWCAMCAN179.9°179.7°
NAVCAWCAXH310.4°0.3°
CAWNAVCBAH3246.8°22.5°
CAWNAVCBAH33164.3°142.4°
CAKCALCAMCAW1.9°0.0°
CAKCALCAQCAM115.2°114.8°
CAKCALCAQCAB125.3°122.6°
CAKCALCAMCAB121.1°118.7°
CAKCALCAMCAN177.7°179.9°
CALCAKCAJH210.4°9.9°
CAKCALCAQH22180.0°60.0°
CAKCALCAQH2360.0°180.0°
CAKCALCAQH2460.0°60.1°
CAKCALCABH25180.0°60.0°
CAKCALCABH2660.0°180.0°
CAKCALCABH2760.0°60.0°
OBGCBFCBEH3427.5°65.2°
OBGCBFCBEH3592.2°54.8°
OBGCBFH36H20106.2°120.0°
CAWCAXCAYH31180.0°180.0°
CAXCAWCAMCAL179.2°180.0°
CAXCAWCAMCAN0.4°0.0°
CAWCAXCAYCAO0.7°0.0°
CAWCAXCAYH30179.3°180.0°
CAMCAWCAXCAY0.8°0.0°
CAWCAMCALCAQ121.1°118.7°
CAWCAMCALCAN179.6°179.9°
CAWCAMCALCAB119.2°118.7°
CAWCAMCANCAO0.0°0.0°
CAWCAMCANH28180.0°180.0°
CAMCAWCAXH31179.2°180.0°
CAXCAYCAOH30180.0°179.9°
CAXCAYCAOCAN0.2°0.1°
CAXCAYCAOH29179.8°180.0°
CAQCALCAMCAB119.7°122.7°
CAQCALCAMCAN58.5°61.4°
CALCAQH22H23120.0°119.9°
CALCAQH22H24120.0°120.0°
CALCAQH23H24120.0°119.9°
CAQCALCABH2555.3°177.5°
CAQCALCABH2664.7°57.4°
CAQCALCABH27175.3°62.6°
CALCAMCANCAO179.6°179.9°
CAMCALCAQH2264.8°174.8°
CAMCALCAQH2355.2°65.2°
CAMCALCAQH24175.2°54.7°
CAMCALCABH2563.3°54.8°
CAMCALCABH26176.7°65.2°
CAMCALCABH2756.7°174.8°
CALCAMCANH280.4°0.1°
CABCALCAMCAN61.2°61.3°
CABCALCAQH2254.7°62.5°
CABCALCAQH23174.7°57.4°
CABCALCAQH2465.3°177.4°
CALCABH25H26120.0°120.0°
CALCABH25H27120.0°120.0°
CALCABH26H27120.0°120.0°
CAMCANCAOCAY0.1°0.0°
CAMCANCAOH28180.0°180.0°
CAMCANCAOH29179.8°179.9°
CAYCAOCANH29180.0°179.9°
CAYCAOCANH28179.9°180.0°
CAOCAYCAXH31179.3°179.9°
CANCAOCAYH30179.8°180.0°
H1OBDCBCH260.2°60.0°
H1OBDCBCH360.2°60.0°
H2CBCCBBH483.5°175.1°
H2CBCCBBH535.7°65.0°
H3CBCCBBH4156.0°55.1°
H3CBCCBBH584.7°175.0°
H4CBBCAZH6137.5°174.7°
H4CBBCAZH718.1°54.7°
H5CBBCAZH6103.2°65.3°
H5CBBCAZH7137.4°174.7°
H8CASCARH91.2°0.0°
H9CARCACH100.4°0.1°
H10CACCADH110.1°0.1°
H12CAPH13H14120.0°120.0°
H15CAAH16H17120.0°120.0°
H18CAHCAIH19179.6°173.2°
H19CAICAJH21180.0°179.5°
H22CAQH23H24120.0°120.1°
H25CABH26H27120.0°120.0°
H28CANCAOH290.1°0.0°
H29CAOCAYH300.2°0.1°
H30CAYCAXH310.7°0.0°
H32CBACBEH34165.0°175.0°
H32CBACBEH3545.4°55.0°
H33CBACBEH3447.5°65.0°
H33CBACBEH3572.2°175.0°
H34CBECBFH36151.2°174.7°
H34CBECBFH2096.2°54.7°
H35CBECBFH3631.5°65.3°
H35CBECBFH20144.2°174.7°
H36CBFOBGH3756.3°59.9°
H20CBFOBGH3756.4°60.1°

221051

PDB entries from 2024-06-12

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