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JGR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAUCATsing1.53Å1.53Å
CBQNADsing1.47Å1.50Å
CBCCAXsing1.51Å1.39Å
CATSAQsing1.81Å1.84Å
CAYCAXsing1.38Å1.39ÅAromatic
CAYCAZdoub1.38Å1.41ÅAromatic
NADCAEsing1.36Å1.38Å
NADCACsing1.35Å1.37Å
CAXCAWdoub1.39Å1.39ÅAromatic
CAECAFdoub1.36Å1.38Å
SAQNAPsing1.66Å1.60Å
SAQOASdoub1.42Å1.51Å
SAQOARdoub1.42Å1.53Å
NAPCALsing1.40Å1.35Å
FBSCAZsing1.35Å1.44Å
OBRCACdoub1.22Å1.24Å
CAKCALdoub1.39Å1.43ÅAromatic
CAKCAJsing1.39Å1.41ÅAromatic
CACCABsing1.46Å1.38Å
CALCAMsing1.39Å1.39ÅAromatic
CAZCBAsing1.38Å1.39ÅAromatic
CAFCAJsing1.48Å1.41Å
CAFCAAsing1.42Å1.35Å
CAJCAOdoub1.40Å1.38ÅAromatic
CAMCANdoub1.38Å1.39ÅAromatic
CAWOAVsing1.36Å1.36Å
CAWCBBsing1.39Å1.41ÅAromatic
CAOCANsing1.39Å1.41ÅAromatic
CAOOAVsing1.36Å1.36Å
CABCAAdoub1.40Å1.37ÅAromatic
CABCAIsing1.46Å1.38ÅAromatic
CAAOAGsing1.34Å1.37ÅAromatic
CBACBBdoub1.38Å1.40ÅAromatic
CBBCBDsing1.51Å1.39Å
OAGCAHsing1.35Å1.45ÅAromatic
CAICAHdoub1.36Å1.36ÅAromatic
CAHCBEsing1.48Å1.36Å
CBECBJdoub1.40Å1.37ÅAromatic
CBECBFsing1.40Å1.41ÅAromatic
CBJCBIsing1.38Å1.39ÅAromatic
CBFCBGdoub1.38Å1.41ÅAromatic
CBICBOsing1.51Å1.41Å
CBICBHdoub1.39Å1.39ÅAromatic
CBGCBHsing1.39Å1.39ÅAromatic
CBGCBPsing1.51Å1.40Å
CBHOBKsing1.36Å1.35Å
CBLOBKsing1.43Å1.44Å
CBLCBMsing1.53Å1.55Å
CBMOBNsing1.43Å1.45Å
CBCH1sing1.09Å1.10Å
CBCH2sing1.09Å1.10Å
CBCH3sing1.09Å1.10Å
CAYH4sing1.08Å1.08Å
CBAH5sing1.08Å1.08Å
CBDH6sing1.09Å1.10Å
CBDH7sing1.09Å1.10Å
CBDH8sing1.09Å1.10Å
CANH9sing1.08Å1.08Å
CAMH10sing1.08Å1.08Å
NAPH11sing0.97Å1.00Å
CATH12sing1.09Å1.10Å
CATH13sing1.09Å1.10Å
CAUH14sing1.09Å1.10Å
CAUH15sing1.09Å1.10Å
CAUH16sing1.09Å1.10Å
CAKH17sing1.08Å1.08Å
CAEH18sing1.08Å1.08Å
CBQH19sing1.09Å1.10Å
CBQH20sing1.09Å1.10Å
CBQH21sing1.09Å1.10Å
CAIH22sing1.08Å1.08Å
CBJH23sing1.08Å1.08Å
CBOH24sing1.09Å1.10Å
CBOH25sing1.09Å1.10Å
CBOH26sing1.09Å1.10Å
CBFH27sing1.08Å1.08Å
CBPH28sing1.09Å1.10Å
CBPH29sing1.09Å1.10Å
CBPH30sing1.09Å1.10Å
CBLH31sing1.09Å1.10Å
CBLH32sing1.09Å1.10Å
CBMH33sing1.09Å1.10Å
CBMH34sing1.09Å1.10Å
OBNH35sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAUCATSAQ111.0°109.5°
CAUCATH12109.1°109.5°
CAUCATH13109.1°109.5°
CATCAUH14109.5°109.4°
CATCAUH15109.5°109.5°
CATCAUH16109.5°109.4°
CBQNADCAE114.7°119.4°
CBQNADCAC124.4°119.4°
NADCBQH19109.5°109.5°
NADCBQH20109.4°109.4°
NADCBQH21109.5°109.4°
CBCCAXCAY118.6°120.0°
CBCCAXCAW124.7°120.0°
CAXCBCH1109.5°109.4°
CAXCBCH2109.5°109.4°
CAXCBCH3109.5°109.5°
CATSAQNAP110.9°104.5°
CATSAQOAS107.9°110.6°
CATSAQOAR110.5°110.5°
SAQCATH12109.1°109.5°
SAQCATH13109.1°109.5°
CAXCAYCAZ121.9°120.1°
CAYCAXCAW116.7°120.0°
CAXCAYH4119.1°120.0°
CAYCAZFBS119.9°120.0°
CAYCAZCBA120.5°120.0°
CAZCAYH4119.1°120.0°
CAENADCAC120.9°121.3°
NADCAECAF119.1°122.1°
NADCAEH18120.4°119.0°
NADCACOBR117.0°120.5°
NADCACCAB119.9°119.0°
CAXCAWOAV119.9°120.1°
CAXCAWCBB122.6°119.9°
CAECAFCAJ118.3°119.9°
CAECAFCAA118.8°120.2°
CAFCAEH18120.5°119.0°
NAPSAQOAS105.7°104.3°
NAPSAQOAR110.0°104.3°
SAQNAPCAL120.0°120.0°
SAQNAPH11106.7°120.0°
OASSAQOAR111.6°121.0°
NAPCALCAK126.4°120.0°
NAPCALCAM114.6°120.0°
CALNAPH11106.8°120.1°
FBSCAZCBA119.5°120.0°
OBRCACCAB123.1°120.5°
CALCAKCAJ121.6°119.9°
CAKCALCAM119.0°120.1°
CALCAKH17119.2°120.0°
CAKCAJCAF121.2°120.1°
CAKCAJCAO118.4°119.8°
CAJCAKH17119.2°120.1°
CACCABCAA117.7°119.1°
CACCABCAI133.9°135.0°
CALCAMCAN118.9°120.2°
CALCAMH10120.5°119.9°
CAZCBACBB118.6°120.0°
CAZCBAH5120.7°120.0°
CAJCAFCAA122.9°119.9°
CAFCAJCAO120.4°120.1°
CAFCAACAB123.5°118.4°
CAFCAAOAG127.1°134.0°
CAJCAOCAN119.6°119.9°
CAJCAOOAV114.6°120.0°
CAMCANCAO122.5°120.2°
CAMCANH9118.8°119.9°
CANCAMH10120.6°119.9°
OAVCAWCBB117.5°120.1°
CAWOAVCAO120.2°118.0°
CAWCBBCBA119.7°120.0°
CAWCBBCBD119.8°120.0°
CANCAOOAV125.8°120.1°
CAOCANH9118.7°119.9°
CAACABCAI108.4°105.9°
CABCAAOAG109.4°107.6°
CABCAICAH109.0°105.9°
CABCAIH22125.5°127.1°
CAAOAGCAH106.4°110.9°
CBACBBCBD120.5°120.0°
CBBCBAH5120.7°120.0°
CBBCBDH6109.5°109.5°
CBBCBDH7109.5°109.5°
CBBCBDH8109.5°109.4°
OAGCAHCAI106.9°109.6°
OAGCAHCBE120.0°125.2°
CAICAHCBE133.1°125.2°
CAHCAIH22125.5°127.0°
CAHCBECBJ122.6°120.1°
CAHCBECBF119.8°120.1°
CBJCBECBF117.5°119.8°
CBECBJCBI122.0°119.9°
CBECBJH23119.0°120.0°
CBECBFCBG122.3°119.9°
CBECBFH27118.8°120.1°
CBJCBICBO120.7°119.9°
CBJCBICBH119.5°120.1°
CBICBJH23119.0°120.0°
CBFCBGCBH117.3°120.1°
CBFCBGCBP122.1°119.9°
CBGCBFH27118.8°120.0°
CBOCBICBH119.9°120.0°
CBICBOH24109.5°109.5°
CBICBOH25109.5°109.5°
CBICBOH26109.5°109.5°
CBICBHCBG121.4°120.2°
CBICBHOBK118.7°119.9°
CBHCBGCBP120.7°119.9°
CBGCBHOBK119.9°119.9°
CBGCBPH28109.5°109.4°
CBGCBPH29109.5°109.5°
CBGCBPH30109.5°109.4°
CBHOBKCBL111.6°117.0°
OBKCBLCBM109.9°109.5°
OBKCBLH31109.3°109.5°
OBKCBLH32109.4°109.4°
CBLCBMOBN112.4°109.5°
CBMCBLH31109.4°109.5°
CBMCBLH32109.3°109.4°
CBLCBMH33108.7°109.5°
CBLCBMH34108.7°109.5°
OBNCBMH33108.7°109.5°
OBNCBMH34108.7°109.5°
CBMOBNH35109.5°114.0°
H1CBCH2109.5°109.5°
H1CBCH3109.5°109.5°
H2CBCH3109.5°109.4°
H6CBDH7109.5°109.5°
H6CBDH8109.5°109.5°
H7CBDH8109.4°109.5°
H12CATH13109.5°109.5°
H14CAUH15109.5°109.5°
H14CAUH16109.5°109.5°
H15CAUH16109.5°109.5°
H19CBQH20109.5°109.5°
H19CBQH21109.5°109.5°
H20CBQH21109.5°109.5°
H24CBOH25109.4°109.4°
H24CBOH26109.5°109.5°
H25CBOH26109.5°109.5°
H28CBPH29109.5°109.6°
H28CBPH30109.5°109.5°
H29CBPH30109.5°109.5°
H31CBLH32109.5°109.5°
H33CBMH34109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAUCATSAQH12120.2°120.0°
CAUCATSAQH13120.2°120.0°
CAUCATSAQNAP59.1°180.0°
CAUCATSAQOAS56.2°68.4°
CAUCATSAQOAR178.5°68.4°
CAUCATH12H13119.3°120.0°
CATCAUH14H15120.0°120.0°
CATCAUH14H16120.0°119.9°
CATCAUH15H16120.0°120.0°
CBQNADCAECAC179.7°179.9°
CBQNADCAECAF179.6°180.0°
CBQNADCACOBR0.1°0.1°
CBQNADCACCAB179.9°180.0°
CBQNADCAEH180.4°0.1°
NADCBQH19H20120.0°119.9°
NADCBQH19H21120.0°120.0°
NADCBQH20H21120.0°119.9°
CBCCAXCAYCAW179.7°179.8°
CBCCAXCAYCAZ178.7°180.0°
CBCCAXCAWOAV0.1°0.0°
CBCCAXCAWCBB179.9°179.8°
CAXCBCH1H2120.0°120.0°
CAXCBCH1H3120.0°120.0°
CAXCBCH2H3120.0°120.0°
CBCCAXCAYH41.3°0.0°
CATSAQNAPOAS116.7°116.1°
CATSAQNAPOAR122.6°116.1°
CATSAQOASOAR121.6°131.5°
CATSAQNAPCAL75.3°65.0°
CATSAQNAPH11163.2°115.0°
SAQCATH12H13119.3°120.0°
SAQCATCAUH14180.0°60.0°
SAQCATCAUH1560.0°60.0°
SAQCATCAUH1660.0°180.0°
CAXCAYCAZH4180.0°179.9°
CAXCAYCAZFBS179.6°180.0°
CAXCAYCAZCBA1.6°0.0°
CAYCAXCAWOAV179.6°179.7°
CAYCAXCAWCBB0.4°0.5°
CAYCAXCBCH189.9°89.7°
CAYCAXCBCH2150.1°30.3°
CAYCAXCBCH330.1°150.3°
CAZCAYCAXCAW1.6°0.2°
CAYCAZFBSCBA178.1°180.0°
CAYCAZCBACBB0.4°0.0°
CAYCAZCBAH5179.6°180.0°
NADCAECAFH18180.0°179.9°
CAENADCACOBR179.6°180.0°
CAENADCACCAB0.2°0.1°
NADCAECAFCAJ179.8°180.0°
NADCAECAFCAA0.9°0.3°
CAENADCBQH19180.0°90.0°
CAENADCBQH2060.0°150.0°
CAENADCBQH2160.0°30.1°
CACNADCAECAF0.6°0.1°
NADCACOBRCAB179.8°180.0°
NADCACCABCAA0.1°0.3°
NADCACCABCAI178.4°180.0°
CACNADCAEH18179.4°180.0°
CACNADCBQH190.3°89.9°
CACNADCBQH20120.3°30.1°
CACNADCBQH21119.8°150.0°
CAXCAWOAVCBB180.0°179.8°
CAXCAWOAVCAO90.5°90.0°
CAXCAWCBBCBA0.7°0.5°
CAXCAWCBBCBD179.3°179.8°
CAWCAXCBCH189.8°90.0°
CAWCAXCBCH230.2°150.0°
CAWCAXCBCH3150.2°30.0°
CAWCAXCAYH4178.4°179.7°
CAECAFCAJCAK53.8°105.3°
CAECAFCAJCAA179.2°179.7°
CAECAFCAJCAO125.8°75.2°
CAECAFCAACAB0.8°0.5°
CAECAFCAAOAG179.5°179.7°
NAPSAQOASOAR119.6°116.7°
SAQNAPCALH11121.5°179.9°
SAQNAPCALCAK10.0°135.0°
SAQNAPCALCAM172.1°45.1°
NAPSAQCATH1261.1°60.0°
NAPSAQCATH13179.4°60.0°
OASSAQNAPCAL168.0°51.1°
OASSAQNAPH1146.5°128.9°
OASSAQCATH12176.5°51.6°
OASSAQCATH1364.0°171.6°
OARSAQNAPCAL47.3°179.0°
OARSAQNAPH1174.2°1.1°
OARSAQCATH1261.3°171.6°
OARSAQCATH1358.3°51.6°
NAPCALCAKCAM177.8°180.0°
NAPCALCAKCAJ177.8°179.8°
NAPCALCAMCAN177.7°180.0°
NAPCALCAMH102.3°0.0°
NAPCALCAKH172.2°0.0°
FBSCAZCBACBB178.4°180.0°
FBSCAZCAYH40.4°0.1°
FBSCAZCBAH51.5°0.0°
OBRCACCABCAA179.8°179.8°
OBRCACCABCAI1.4°0.0°
CALCAKCAJH17180.0°179.8°
CALCAKCAJCAF179.8°180.0°
CALCAKCAJCAO0.6°0.5°
CAKCALCAMCAN0.3°0.0°
CAKCALCAMH10179.7°179.9°
CAKCALNAPH11131.5°45.0°
CAJCAKCALCAM0.0°0.3°
CAKCAJCAFCAO179.6°179.4°
CAKCAJCAFCAA125.4°75.0°
CAKCAJCAOCAN0.9°0.5°
CAKCAJCAOOAV179.6°179.7°
CACCABCAACAF0.4°0.5°
CACCABCAACAI178.8°179.8°
CACCABCAAOAG179.9°179.7°
CACCABCAICAH179.9°180.0°
CACCABCAIH220.1°0.0°
CALCAMCANH10180.0°180.0°
CALCAMCANCAO0.0°0.0°
CALCAMCANH9180.0°180.0°
CAMCALNAPH1150.6°135.0°
CAMCALCAKH17180.0°179.9°
CAZCBACBBCAW0.7°0.3°
CAZCBACBBH5180.0°180.0°
CAZCBACBBCBD179.3°180.0°
CBACAZCAYH4178.4°179.9°
CAFCAJCAOCAN179.5°180.0°
CAFCAJCAOOAV0.0°0.3°
CAJCAFCAACAB179.9°179.8°
CAJCAFCAAOAG0.3°0.1°
CAFCAJCAKH170.2°0.2°
CAJCAFCAEH180.2°0.1°
CAACAFCAJCAO55.0°104.4°
CAFCAACABOAG179.7°179.8°
CAFCAACABCAI179.2°179.7°
CAFCAAOAGCAH179.8°179.4°
CAACAFCAEH18179.1°179.8°
CAJCAOCANCAM0.6°0.3°
CAJCAOOAVCAW163.4°179.7°
CAJCAOCANOAV179.4°179.7°
CAJCAOCANH9179.4°179.7°
CAOCAJCAKH17179.4°179.7°
CAMCANCAOH9180.0°180.0°
CAMCANCAOOAV180.0°180.0°
CAWOAVCAOCAN17.2°0.0°
OAVCAWCBBCBA179.3°179.7°
OAVCAWCBBCBD0.7°0.0°
CBBCAWOAVCAO89.5°89.8°
CAWCBBCBACBD178.5°179.7°
CAWCBBCBAH5179.3°179.8°
CAWCBBCBDH690.7°89.7°
CAWCBBCBDH7149.3°30.3°
CAWCBBCBDH829.3°150.3°
CAOCANCAMH10180.0°179.9°
OAVCAOCANH90.0°0.0°
CABCAAOAGCAH0.5°0.4°
CAACABCAICAH1.4°0.2°
CAACABCAIH22178.6°179.8°
CAICABCAAOAG1.1°0.1°
CABCAICAHOAG1.0°0.4°
CABCAICAHH22180.0°180.0°
CABCAICAHCBE178.2°180.0°
CAAOAGCAHCAI0.3°0.5°
CAAOAGCAHCBE179.0°179.8°
CBACBBCBDH690.8°90.0°
CBACBBCBDH729.3°150.0°
CBACBBCBDH8149.2°30.0°
CBDCBBCBAH50.8°0.1°
CBBCBDH6H7120.0°120.0°
CBBCBDH6H8120.0°119.9°
CBBCBDH7H8120.0°119.9°
OAGCAHCAICBE179.3°179.6°
OAGCAHCBECBJ161.5°0.5°
OAGCAHCBECBF15.3°179.8°
OAGCAHCAIH22179.0°179.6°
CAICAHCBECBJ17.7°180.0°
CAICAHCBECBF165.5°0.2°
CAHCBECBJCBF176.9°179.7°
CAHCBECBJCBI178.1°180.0°
CAHCBECBFCBG178.5°179.9°
CBECAHCAIH221.8°0.0°
CAHCBECBJH231.8°0.1°
CAHCBECBFH271.6°0.0°
CBECBJCBIH23180.0°179.9°
CBJCBECBFCBG1.5°0.3°
CBECBJCBICBO179.0°180.0°
CBECBJCBICBH0.7°0.0°
CBJCBECBFH27178.5°179.7°
CBFCBECBJCBI1.2°0.3°
CBECBFCBGH27180.0°179.9°
CBECBFCBGCBH1.1°0.1°
CBECBFCBGCBP179.0°180.0°
CBFCBECBJH23178.7°179.8°
CBJCBICBOCBH179.7°180.0°
CBJCBICBHCBG0.3°0.3°
CBJCBICBHOBK178.6°180.0°
CBJCBICBOH2489.8°90.1°
CBJCBICBOH25150.2°150.0°
CBJCBICBOH2630.2°30.0°
CBFCBGCBHCBI0.5°0.2°
CBFCBGCBHCBP179.9°180.0°
CBFCBGCBHOBK178.8°179.9°
CBFCBGCBPH2890.0°90.0°
CBFCBGCBPH29150.0°149.9°
CBFCBGCBPH3030.1°29.9°
CBOCBICBHCBG179.4°179.7°
CBOCBICBHOBK1.1°0.0°
CBOCBICBJH231.0°0.1°
CBICBOH24H25120.0°119.9°
CBICBOH24H26120.0°120.1°
CBICBOH25H26120.0°120.0°
CBICBHCBGOBK178.3°179.7°
CBICBHCBGCBP179.7°179.7°
CBICBHOBKCBL92.2°89.9°
CBHCBICBJH23179.3°179.9°
CBHCBICBOH2489.8°90.0°
CBHCBICBOH2530.2°30.0°
CBHCBICBOH26150.2°150.0°
CBGCBHOBKCBL89.5°89.8°
CBHCBGCBFH27178.9°180.0°
CBHCBGCBPH2889.9°90.0°
CBHCBGCBPH2930.1°30.1°
CBHCBGCBPH30150.1°150.0°
CBPCBGCBHOBK1.4°0.0°
CBPCBGCBFH270.9°0.0°
CBGCBPH28H29120.0°120.0°
CBGCBPH28H30120.0°119.9°
CBGCBPH29H30120.0°119.9°
CBHOBKCBLCBM170.3°180.0°
CBHOBKCBLH3150.2°60.0°
CBHOBKCBLH3269.7°60.1°
OBKCBLCBMH31120.1°120.0°
OBKCBLCBMH32120.1°119.9°
OBKCBLCBMOBN0.5°65.0°
OBKCBLH31H32119.8°120.0°
OBKCBLCBMH33120.9°175.0°
OBKCBLCBMH34119.9°55.0°
CBLCBMOBNH33120.4°120.0°
CBLCBMOBNH34120.4°120.0°
CBMCBLH31H32119.8°120.0°
CBLCBMH33H34118.7°120.1°
CBLCBMOBNH35180.0°180.0°
OBNCBMCBLH31119.6°55.0°
OBNCBMCBLH32120.6°175.0°
OBNCBMH33H34118.6°120.0°
H1CBCH2H3120.0°120.0°
H6CBDH7H8120.0°120.0°
H9CANCAMH100.0°0.1°
H12CATCAUH1459.8°180.0°
H12CATCAUH1560.2°60.0°
H12CATCAUH16179.8°60.1°
H13CATCAUH1459.7°60.0°
H13CATCAUH15179.7°180.0°
H13CATCAUH1660.3°59.9°
H14CAUH15H16120.0°120.0°
H19CBQH20H21120.0°120.1°
H24CBOH25H26120.0°120.0°
H28CBPH29H30120.0°120.1°
H31CBLCBMH330.9°65.0°
H31CBLCBMH34120.0°175.0°
H32CBLCBMH33119.0°55.0°
H32CBLCBMH340.2°65.0°
H33CBMOBNH3559.5°60.0°
H34CBMOBNH3559.6°60.0°

222415

PDB entries from 2024-07-10

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