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79Q

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CATOBDsing1.43Å1.48Å
CATCAYsing1.53Å1.44Å
OBDCAUsing1.43Å1.41Å
CAUCAZsing1.53Å1.55Å
CAYNBRsing1.47Å1.45Å
CAZNBRsing1.47Å1.45Å
NBRCAXsing1.47Å1.49Å
OAACBEdoub1.22Å1.23Å
CBENBAsing1.35Å1.36Å
CBECBLsing1.48Å1.44Å
NBACASsing1.46Å1.50Å
CAXCASsing1.53Å1.57Å
OACCBGdoub1.22Å1.23Å
CBLCARdoub1.40Å1.42ÅAromatic
CBLCAMsing1.40Å1.41ÅAromatic
CARCBQsing1.39Å1.41ÅAromatic
CAMCANdoub1.38Å1.39ÅAromatic
CBGCBQsing1.48Å1.41Å
CBGCBPsing1.47Å1.44Å
CBQCBMdoub1.38Å1.37ÅAromatic
CANCBMsing1.39Å1.40ÅAromatic
CBMCAVsing1.50Å1.37Å
CAOCBPdoub1.41Å1.43ÅAromatic
CAOCAKsing1.36Å1.40ÅAromatic
CBPCBNsing1.39Å1.41ÅAromatic
CAVCAWsing1.50Å1.55Å
CAKCBHdoub1.39Å1.41ÅAromatic
CBNCAWsing1.51Å1.44Å
CBNCAPdoub1.38Å1.42ÅAromatic
CBHCAPsing1.39Å1.43ÅAromatic
CBHNBCsing1.39Å1.37Å
CAJCALdoub1.38Å1.40ÅAromatic
CAJCBIsing1.39Å1.40ÅAromatic
NBCCBIsing1.40Å1.35Å
CALCBJsing1.38Å1.39ÅAromatic
CBICAQdoub1.39Å1.38ÅAromatic
CBJFADsing1.35Å1.33Å
CBJCBOdoub1.39Å1.40ÅAromatic
CAQCBOsing1.39Å1.40ÅAromatic
CBONBBsing1.40Å1.36Å
OABCBFdoub1.22Å1.22Å
CBFNBBsing1.35Å1.36Å
CBFCBKsing1.48Å1.43Å
CAICBKdoub1.40Å1.40ÅAromatic
CAICAGsing1.38Å1.41ÅAromatic
CBKCAHsing1.40Å1.42ÅAromatic
CAGCAEdoub1.38Å1.38ÅAromatic
CAHCAFdoub1.38Å1.42ÅAromatic
CAECAFsing1.38Å1.37ÅAromatic
CAYH1sing1.09Å1.10Å
CAYH2sing1.09Å1.10Å
CATH3sing1.09Å1.10Å
CATH4sing1.09Å1.10Å
CAUH5sing1.09Å1.10Å
CAUH6sing1.09Å1.10Å
CAZH7sing1.09Å1.10Å
CAZH8sing1.09Å1.10Å
CAXH10sing1.09Å1.10Å
CAXH11sing1.09Å1.10Å
CASH12sing1.09Å1.10Å
CASH13sing1.09Å1.10Å
NBAH14sing0.97Å1.00Å
CARH15sing1.08Å1.08Å
CAMH16sing1.08Å1.08Å
CANH17sing1.08Å1.08Å
CAVH18sing1.09Å1.10Å
CAVH19sing1.09Å1.10Å
CAWH20sing1.09Å1.10Å
CAWH21sing1.09Å1.10Å
CAPH22sing1.08Å1.08Å
CAOH23sing1.08Å1.08Å
CAKH24sing1.08Å1.08Å
NBCH25sing0.97Å1.00Å
CAQH26sing1.08Å1.08Å
CAJH27sing1.08Å1.08Å
CALH28sing1.08Å1.08Å
NBBH29sing0.97Å1.00Å
CAHH30sing1.08Å1.08Å
CAFH31sing1.08Å1.08Å
CAEH32sing1.08Å1.08Å
CAGH33sing1.08Å1.08Å
CAIH34sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBDCATCAY109.5°109.3°
CATOBDCAU116.0°113.7°
OBDCATH3109.5°109.5°
OBDCATH4109.5°109.5°
CATCAYNBR108.5°109.2°
CATCAYH1109.7°109.5°
CATCAYH2109.7°109.5°
CAYCATH3109.4°109.5°
CAYCATH4109.5°109.5°
OBDCAUCAZ106.3°109.2°
OBDCAUH5110.2°109.5°
OBDCAUH6110.3°109.5°
CAUCAZNBR106.7°109.3°
CAZCAUH5110.2°109.5°
CAZCAUH6110.2°109.5°
CAUCAZH7110.2°109.5°
CAUCAZH8110.2°109.6°
CAYNBRCAZ112.2°110.8°
CAYNBRCAX107.2°111.0°
NBRCAYH1109.7°109.5°
NBRCAYH2109.7°109.6°
CAZNBRCAX111.2°111.0°
NBRCAZH7110.2°109.5°
NBRCAZH8110.2°109.5°
NBRCAXCAS115.7°109.5°
NBRCAXH10107.9°109.5°
NBRCAXH11107.9°109.5°
OAACBENBA115.9°120.0°
OAACBECBL118.7°120.0°
NBACBECBL124.8°120.0°
CBENBACAS133.2°120.0°
CBENBAH14113.4°120.0°
CBECBLCAR116.7°120.2°
CBECBLCAM126.1°120.2°
NBACASCAX107.3°109.5°
NBACASH12110.0°109.5°
NBACASH13110.0°109.5°
CASNBAH14113.4°120.0°
CASCAXH10107.9°109.5°
CASCAXH11107.9°109.4°
CAXCASH12110.0°109.5°
CAXCASH13110.0°109.5°
OACCBGCBQ118.3°119.3°
OACCBGCBP120.6°119.3°
CARCBLCAM117.2°119.7°
CBLCARCBQ122.2°118.9°
CBLCARH15118.9°120.6°
CBLCAMCAN121.0°120.5°
CBLCAMH16119.5°119.7°
CARCBQCBG117.3°121.3°
CARCBQCBM118.6°121.2°
CBQCARH15118.9°120.5°
CAMCANCBM119.9°119.8°
CANCAMH16119.5°119.8°
CAMCANH17120.1°120.1°
CBQCBGCBP119.9°121.5°
CBGCBQCBM124.2°117.5°
CBGCBPCAO115.9°116.0°
CBGCBPCBN124.9°123.8°
CBQCBMCAN121.2°119.9°
CBQCBMCAV122.8°120.0°
CANCBMCAV115.9°120.0°
CBMCANH17120.0°120.1°
CBMCAVCAW102.2°113.4°
CBMCAVH18111.3°108.7°
CBMCAVH19111.2°108.7°
CBPCAOCAK122.2°120.9°
CAOCBPCBN119.0°120.1°
CBPCAOH23118.9°119.5°
CAOCAKCBH119.0°119.2°
CAKCAOH23118.9°119.6°
CAOCAKH24120.5°120.4°
CBPCBNCAW127.8°127.8°
CBPCBNCAP119.1°118.2°
CAVCAWCBN112.9°115.1°
CAWCAVH18111.2°108.7°
CAWCAVH19111.2°108.7°
CAVCAWH20108.6°108.3°
CAVCAWH21108.6°108.4°
CAKCBHCAP119.7°119.9°
CAKCBHNBC123.8°120.0°
CBHCAKH24120.5°120.4°
CAWCBNCAP113.1°113.9°
CBNCAWH20108.6°108.3°
CBNCAWH21108.6°108.2°
CBNCAPCBH121.0°121.6°
CBNCAPH22119.5°119.2°
CAPCBHNBC116.5°120.1°
CBHCAPH22119.5°119.2°
CBHNBCCBI126.6°120.0°
CBHNBCH25116.7°120.0°
CALCAJCBI120.9°120.1°
CAJCALCBJ120.1°120.1°
CALCAJH27119.6°119.9°
CAJCALH28120.0°120.0°
CAJCBINBC127.7°120.0°
CAJCBICAQ117.5°120.0°
CBICAJH27119.6°120.0°
NBCCBICAQ114.7°120.0°
CBINBCH25116.7°120.0°
CALCBJFAD119.2°120.0°
CALCBJCBO119.8°120.0°
CBJCALH28120.0°119.9°
CBICAQCBO122.8°119.9°
CBICAQH26118.6°120.1°
FADCBJCBO121.0°120.0°
CBJCBOCAQ118.9°119.9°
CBJCBONBB117.6°120.0°
CAQCBONBB123.6°120.1°
CBOCAQH26118.6°120.1°
CBONBBCBF122.6°120.0°
CBONBBH29118.7°120.0°
OABCBFNBB123.7°120.0°
OABCBFCBK119.2°120.0°
NBBCBFCBK117.0°120.0°
CBFNBBH29118.7°120.0°
CBFCBKCAI121.0°120.2°
CBFCBKCAH121.8°120.2°
CBKCAICAG120.1°119.9°
CAICBKCAH117.1°119.7°
CBKCAIH34120.0°120.0°
CAICAGCAE121.4°120.2°
CAICAGH33119.3°120.0°
CAGCAIH34120.0°120.1°
CBKCAHCAF122.2°119.9°
CBKCAHH30118.9°120.1°
CAGCAECAF120.4°120.3°
CAGCAEH32119.8°119.9°
CAECAGH33119.3°119.9°
CAHCAFCAE118.7°120.1°
CAFCAHH30118.9°120.1°
CAHCAFH31120.7°119.9°
CAECAFH31120.7°120.0°
CAFCAEH32119.8°119.8°
H1CAYH2109.5°109.5°
H3CATH4109.5°109.5°
H5CAUH6109.5°109.6°
H7CAZH8109.4°109.5°
H10CAXH11109.4°109.5°
H12CASH13109.5°109.4°
H18CAVH19109.5°108.5°
H20CAWH21109.5°108.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBDCATCAYH3120.0°120.0°
OBDCATCAYH4120.0°119.9°
CATOBDCAUCAZ40.5°58.7°
OBDCATCAYNBR18.1°56.8°
OBDCATCAYH1137.9°63.1°
OBDCATCAYH2101.7°176.9°
OBDCATH3H4120.0°120.1°
CATOBDCAUH5160.0°61.2°
CATOBDCAUH678.9°178.6°
CAYCATOBDCAU67.3°58.7°
CATCAYNBRH1119.8°119.9°
CATCAYNBRH2119.8°120.0°
CATCAYNBRCAZ46.9°58.6°
CATCAYNBRCAX169.2°177.6°
CATCAYH1H2120.5°120.1°
CAYCATH3H4120.0°120.1°
OBDCAUCAZH5119.5°119.9°
OBDCAUCAZH6119.5°119.9°
OBDCAUCAZNBR23.9°56.8°
CAUOBDCATH352.7°61.3°
CAUOBDCATH4172.7°178.6°
OBDCAUH5H6121.5°120.1°
OBDCAUCAZH7143.5°176.8°
OBDCAUCAZH895.7°63.1°
CAUCAZNBRCAY72.0°58.6°
CAUCAZNBRH7119.6°120.0°
CAUCAZNBRH8119.6°120.0°
CAUCAZNBRCAX168.0°177.6°
CAZCAUH5H6121.4°120.1°
CAUCAZH7H8121.3°120.2°
CAYNBRCAZCAX120.0°123.8°
CAYNBRCAXCAS114.1°170.0°
NBRCAYH1H2120.5°120.2°
NBRCAYCATH3101.9°63.1°
NBRCAYCATH4138.1°176.8°
CAYNBRCAZH7168.4°178.6°
CAYNBRCAZH847.6°61.4°
CAYNBRCAXH106.8°70.0°
CAYNBRCAXH11125.0°50.0°
CAZNBRCAXCAS8.9°66.4°
CAZNBRCAYH172.9°61.3°
CAZNBRCAYH2166.8°178.6°
NBRCAZCAUH595.6°63.1°
NBRCAZCAUH6143.4°176.8°
NBRCAZH7H8121.3°120.0°
CAZNBRCAXH10129.8°53.6°
CAZNBRCAXH11112.0°173.7°
NBRCAXCASNBA66.6°180.0°
NBRCAXCASH10120.9°120.0°
NBRCAXCASH11120.9°120.0°
CAXNBRCAYH149.4°62.5°
CAXNBRCAYH270.9°57.6°
CAXNBRCAZH748.4°57.6°
CAXNBRCAZH872.5°62.4°
NBRCAXH10H11117.2°120.0°
NBRCAXCASH1253.0°60.0°
NBRCAXCASH13173.7°60.0°
OAACBENBACBL171.3°180.0°
OAACBENBACAS177.2°0.0°
OAACBECBLCAR12.4°0.0°
OAACBECBLCAM168.7°179.7°
OAACBENBAH142.8°179.9°
CBENBACASH14180.0°180.0°
CBENBACASCAX166.4°180.0°
NBACBECBLCAR158.7°180.0°
NBACBECBLCAM20.2°0.3°
CBENBACASH1246.8°60.0°
CBENBACASH1373.9°60.0°
CBLCBENBACAS5.9°180.0°
CBECBLCARCAM179.0°179.7°
CBECBLCARCBQ179.6°180.0°
CBECBLCAMCAN179.1°179.8°
CBLCBENBAH14174.2°0.0°
CBECBLCARH150.4°0.0°
CBECBLCAMH160.9°0.2°
NBACASCAXH12119.6°120.0°
NBACASCAXH13119.6°120.0°
NBACASCAXH1054.3°60.0°
NBACASCAXH11172.5°60.0°
NBACASH12H13121.0°120.0°
CASCAXH10H11117.2°120.0°
CAXCASH12H13121.0°120.0°
CAXCASNBAH1413.6°0.0°
OACCBGCBQCAR38.8°62.1°
OACCBGCBQCBP167.5°180.0°
OACCBGCBQCBM142.6°117.4°
OACCBGCBPCAO12.0°43.4°
OACCBGCBPCBN172.6°137.0°
CBLCARCBQH15180.0°180.0°
CARCBLCAMCAN0.3°0.1°
CBLCARCBQCBG179.0°179.1°
CBLCARCBQCBM0.3°0.3°
CARCBLCAMH16179.8°179.9°
CAMCBLCARCBQ0.6°0.3°
CBLCAMCANH16180.0°180.0°
CBLCAMCANCBM0.4°0.1°
CAMCBLCARH15179.4°179.7°
CBLCAMCANH17179.6°179.9°
CARCBQCBGCBM178.6°179.4°
CARCBQCBGCBP128.6°117.9°
CARCBQCBMCAN0.4°0.2°
CARCBQCBMCAV177.1°179.0°
CAMCANCBMCBQ0.8°0.0°
CAMCANCBMH17180.0°180.0°
CAMCANCBMCAV177.6°179.3°
CBGCBQCBMCAN178.2°179.3°
CBGCBQCBMCAV1.5°1.5°
CBQCBGCBPCAO155.2°136.6°
CBQCBGCBPCBN20.2°43.1°
CBGCBQCARH151.0°0.9°
CBPCBGCBQCBM50.0°62.6°
CBGCBPCAOCBN175.7°179.7°
CBGCBPCAOCAK176.2°178.3°
CBGCBPCBNCAW4.7°2.9°
CBGCBPCBNCAP176.6°177.6°
CBGCBPCAOH233.8°1.7°
CBQCBMCANCAV176.9°179.2°
CBQCBMCAVCAW71.9°71.6°
CBMCBQCARH15179.7°179.6°
CBQCBMCANH17179.2°180.0°
CBQCBMCAVH18169.3°167.3°
CBQCBMCAVH1946.9°49.4°
CANCBMCAVCAW104.9°107.6°
CBMCANCAMH16179.6°180.0°
CANCBMCAVH1813.9°13.4°
CANCBMCAVH19136.3°131.4°
CBMCAVCAWH18118.8°121.0°
CBMCAVCAWH19118.8°121.0°
CBMCAVCAWCBN83.1°68.3°
CAVCBMCANH172.4°0.7°
CBMCAVH18H19123.4°118.1°
CBMCAVCAWH2037.3°53.1°
CBMCAVCAWH21156.3°170.4°
CBPCAOCAKH23180.0°180.0°
CBPCAOCAKCBH0.6°0.1°
CAOCBPCBNCAW179.9°177.5°
CAOCBPCBNCAP1.4°2.0°
CBPCAOCAKH24179.4°179.9°
CAKCAOCBPCBN0.5°1.4°
CAOCAKCBHH24180.0°180.0°
CAOCAKCBHCAP0.8°0.9°
CAOCAKCBHNBC179.9°179.1°
CBPCBNCAWCAV31.9°12.6°
CBPCBNCAWCAP178.8°179.5°
CBPCBNCAPCBH1.2°1.3°
CBPCBNCAWH2088.6°108.8°
CBPCBNCAWH21152.5°134.0°
CBPCBNCAPH22178.9°178.7°
CBNCBPCAOH23179.5°178.6°
CAVCAWCBNH20120.5°121.4°
CAVCAWCBNH21120.5°121.4°
CAVCAWCBNCAP146.9°166.9°
CAWCAVH18H19123.3°118.1°
CAVCAWH20H21118.5°117.3°
CAKCBHCAPCBN0.1°0.2°
CAKCBHCAPNBC179.2°180.0°
CAKCBHNBCCBI10.3°34.2°
CAKCBHCAPH22179.9°179.9°
CBHCAKCAOH23179.4°179.9°
CAKCBHNBCH25169.7°145.9°
CAWCBNCAPCBH179.9°178.3°
CBNCAWCAVH18158.0°170.7°
CBNCAWCAVH1935.7°52.7°
CBNCAWH20H21118.4°117.2°
CAWCBNCAPH220.1°1.8°
CBNCAPCBHH22180.0°179.9°
CBNCAPCBHNBC179.1°179.8°
CAPCBNCAWH2092.6°71.7°
CAPCBNCAWH2126.3°45.5°
CAPCBHNBCCBI168.9°145.8°
CAPCBHCAKH24179.2°179.1°
CAPCBHNBCH2511.1°34.1°
CBHNBCCBICAJ40.5°25.3°
CBHNBCCBIH25180.0°179.9°
CBHNBCCBICAQ144.1°155.0°
NBCCBHCAPH220.9°0.1°
NBCCBHCAKH240.1°0.9°
CALCAJCBIH27180.0°179.9°
CALCAJCBINBC178.5°180.0°
CAJCALCBJH28180.0°180.0°
CALCAJCBICAQ3.2°0.2°
CAJCALCBJFAD179.1°180.0°
CAJCALCBJCBO2.0°0.3°
CAJCBINBCCAQ175.4°179.8°
CBICAJCALCBJ3.0°0.1°
CAJCBICAQCBO2.4°0.3°
CAJCBINBCH25139.5°154.6°
CAJCBICAQH26177.6°179.8°
CBICAJCALH28177.0°179.9°
NBCCBICAQCBO178.3°179.9°
NBCCBICAQH261.7°0.1°
NBCCBICAJH271.5°0.1°
CALCBJFADCBO179.0°179.7°
CALCBJCBOCAQ1.1°0.2°
CALCBJCBONBB179.1°179.7°
CBJCALCAJH27177.0°180.0°
CBICAQCBOCBJ1.4°0.1°
CBICAQCBOH26180.0°179.9°
CBICAQCBONBB178.8°180.0°
CAQCBINBCH2535.9°25.1°
CAQCBICAJH27176.8°179.7°
FADCBJCBOCAQ179.9°179.9°
FADCBJCBONBB0.1°0.0°
FADCBJCALH280.9°0.0°
CBJCBOCAQNBB179.8°179.9°
CBJCBONBBCBF137.9°145.5°
CBJCBOCAQH26178.6°179.9°
CBOCBJCALH28178.1°179.7°
CBJCBONBBH2942.1°34.6°
CAQCBONBBCBF42.3°34.4°
CAQCBONBBH29137.7°145.5°
CBONBBCBFOAB6.6°4.2°
CBONBBCBFH29180.0°179.9°
CBONBBCBFCBK178.1°175.8°
NBBCBOCAQH261.2°0.1°
OABCBFNBBCBK175.3°180.0°
OABCBFCBKCAI46.5°179.7°
OABCBFCBKCAH135.1°0.0°
OABCBFNBBH29173.4°175.8°
NBBCBFCBKCAI129.0°0.3°
NBBCBFCBKCAH49.4°180.0°
CBFCBKCAICAH178.5°179.7°
CBFCBKCAICAG179.7°179.7°
CBFCBKCAHCAF179.1°180.0°
CBKCBFNBBH291.9°4.2°
CBFCBKCAHH300.9°0.1°
CBFCBKCAIH340.2°0.0°
CBKCAICAGH34180.0°179.7°
CBKCAICAGCAE0.3°0.6°
CAICBKCAHCAF2.4°0.3°
CAICBKCAHH30177.6°179.8°
CBKCAICAGH33179.7°179.7°
CAGCAICBKCAH1.3°0.6°
CAICAGCAEH33180.0°179.7°
CAICAGCAECAF0.8°0.4°
CAICAGCAEH32179.2°179.7°
CBKCAHCAFH30180.0°179.9°
CBKCAHCAFCAE2.0°0.1°
CBKCAHCAFH31178.0°180.0°
CAHCBKCAIH34178.7°179.7°
CAGCAECAFCAH0.3°0.1°
CAGCAECAFH32180.0°179.9°
CAGCAECAFH31179.7°180.0°
CAECAGCAIH34179.7°179.7°
CAHCAFCAEH31180.0°179.9°
CAHCAFCAEH32179.7°180.0°
CAECAFCAHH30178.0°180.0°
CAFCAECAGH33179.2°180.0°
H1CAYCATH317.9°176.9°
H1CAYCATH4102.1°56.8°
H2CAYCATH3138.3°56.9°
H2CAYCATH418.3°63.2°
H5CAUCAZH724.0°56.9°
H5CAUCAZH8144.8°177.0°
H6CAUCAZH797.0°63.3°
H6CAUCAZH823.8°56.8°
H10CAXCASH12173.9°180.0°
H10CAXCASH1365.3°60.0°
H11CAXCASH1267.9°60.0°
H11CAXCASH1352.8°180.0°
H12CASNBAH14133.2°120.1°
H13CASNBAH14106.1°120.0°
H16CAMCANH170.4°0.1°
H18CAVCAWH2081.5°67.9°
H18CAVCAWH2137.5°49.4°
H19CAVCAWH20156.2°174.1°
H19CAVCAWH2184.8°68.6°
H23CAOCAKH240.6°0.1°
H27CAJCALH283.0°0.0°
H30CAHCAFH312.0°0.1°
H31CAFCAEH320.3°0.1°
H32CAECAGH330.8°0.1°
H33CAGCAIH340.3°0.0°

222415

PDB entries from 2024-07-10

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