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R2E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACABsing1.53Å1.52Å
CABCACsing1.51Å1.53Å
CACOADdoub1.21Å1.23Å
CACNAEsing1.35Å1.35Å
CBGCBFsing1.53Å1.54Å
CBGNAEsing1.47Å1.49Å
CBFCAHsing1.53Å1.51Å
NAECAFsing1.47Å1.48Å
CAPCAQdoub1.38Å1.39ÅAromatic
CAPCAOsing1.39Å1.39ÅAromatic
CAQCARsing1.38Å1.39ÅAromatic
C2N3doub1.31Å1.40ÅAromatic
C2N1sing1.32Å1.40ÅAromatic
N3C4sing1.34Å1.34ÅAromatic
CAHCAGsing1.53Å1.52Å
CAHOAIsing1.43Å1.40Å
N1C6doub1.33Å1.35ÅAromatic
CAFCAGsing1.53Å1.50Å
C4CBBdoub1.40Å1.39ÅAromatic
C4C5sing1.42Å1.40ÅAromatic
CBBCBCsing1.38Å1.39ÅAromatic
C6C5sing1.42Å1.40ÅAromatic
C6NANsing1.38Å1.33Å
C5CAKdoub1.40Å1.41ÅAromatic
CBCOBDsing1.36Å1.37Å
CBCCAJdoub1.40Å1.39ÅAromatic
OBDCBEsing1.43Å1.44Å
NANCAOsing1.40Å1.35Å
CAKCAJsing1.37Å1.40ÅAromatic
CAJOAIsing1.36Å1.37Å
CAOCAVdoub1.39Å1.40ÅAromatic
CARCL1sing1.74Å1.71Å
CARCATdoub1.38Å1.39ÅAromatic
CAVCATsing1.38Å1.38ÅAromatic
CAVFAWsing1.35Å1.37Å
CATCL2sing1.74Å1.74Å
C2H1sing1.08Å1.08Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CAAH4sing1.09Å1.10Å
CABH5sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CAFH7sing1.09Å1.10Å
CAFH8sing1.09Å1.10Å
CAGH9sing1.09Å1.10Å
CAGH10sing1.09Å1.10Å
CAHH11sing1.09Å1.10Å
CAKH12sing1.08Å1.08Å
CAPH13sing1.08Å1.08Å
CAQH14sing1.08Å1.08Å
CBBH15sing1.08Å1.08Å
CBEH16sing1.09Å1.10Å
CBEH17sing1.09Å1.10Å
CBEH18sing1.09Å1.10Å
CBFH19sing1.09Å1.10Å
CBFH20sing1.09Å1.10Å
CBGH21sing1.09Å1.10Å
CBGH22sing1.09Å1.10Å
NANH23sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACABCAC112.8°109.5°
CABCAAH2109.5°109.4°
CABCAAH3109.5°109.5°
CABCAAH4109.5°109.5°
CAACABH5108.7°109.5°
CAACABH6108.6°109.5°
CABCACOAD120.9°120.0°
CABCACNAE114.4°120.0°
CACCABH5108.6°109.5°
CACCABH6108.6°109.5°
OADCACNAE124.5°120.0°
CACNAECBG113.1°120.6°
CACNAECAF115.3°120.6°
CBFCBGNAE114.8°108.8°
CBGCBFCAH107.7°109.3°
CBGCBFH19109.9°109.5°
CBGCBFH20109.9°109.6°
CBFCBGH21108.1°109.6°
CBFCBGH22108.1°109.6°
CBGNAECAF116.9°118.7°
NAECBGH21108.1°109.6°
NAECBGH22108.1°109.5°
CBFCAHCAG107.3°109.5°
CBFCAHOAI109.9°109.5°
CBFCAHH11110.4°109.4°
CAHCBFH19109.9°109.4°
CAHCBFH20109.9°109.5°
NAECAFCAG114.5°108.8°
NAECAFH7108.2°109.6°
NAECAFH8108.2°109.7°
CAQCAPCAO118.9°120.0°
CAPCAQCAR120.3°120.1°
CAQCAPH13120.5°120.0°
CAPCAQH14119.8°119.9°
CAPCAONAN120.8°120.1°
CAPCAOCAV120.7°119.9°
CAOCAPH13120.5°120.0°
CAQCARCL1120.1°119.9°
CAQCARCAT120.7°120.2°
CARCAQH14119.8°120.0°
N3C2N1118.0°123.0°
C2N3C4122.4°120.4°
N3C2H1121.0°118.5°
C2N1C6119.9°121.5°
N1C2H1121.0°118.5°
N3C4CBB118.7°121.8°
N3C4C5120.0°118.7°
CAGCAHOAI106.6°109.4°
CAHCAGCAF109.5°109.3°
CAHCAGH9109.5°109.5°
CAHCAGH10109.4°109.5°
CAGCAHH11110.3°109.4°
CAHOAICAJ118.8°117.0°
OAICAHH11112.1°109.5°
N1C6C5121.8°118.2°
N1C6NAN120.7°120.9°
CAGCAFH7108.2°109.6°
CAGCAFH8108.2°109.5°
CAFCAGH9109.5°109.5°
CAFCAGH10109.5°109.5°
CBBC4C5121.3°119.4°
C4CBBCBC118.4°119.6°
C4CBBH15120.8°120.2°
C4C5C6117.9°118.1°
C4C5CAK120.0°119.9°
CBBCBCOBD123.2°119.7°
CBBCBCCAJ121.1°120.7°
CBCCBBH15120.8°120.2°
C5C6NAN117.6°120.9°
C6C5CAK122.1°122.0°
C6NANCAO117.2°120.0°
C6NANH23121.4°120.0°
C5CAKCAJ118.2°119.7°
C5CAKH12120.9°120.1°
OBDCBCCAJ115.8°119.6°
CBCOBDCBE113.1°117.0°
CBCCAJCAK121.1°120.8°
CBCCAJOAI113.9°119.6°
OBDCBEH16109.5°109.5°
OBDCBEH17109.5°109.5°
OBDCBEH18109.5°109.5°
NANCAOCAV118.5°120.1°
CAONANH23121.4°120.0°
CAKCAJOAI125.0°119.6°
CAJCAKH12120.9°120.2°
CAOCAVCAT119.9°119.9°
CAOCAVFAW122.6°120.1°
CL1CARCAT119.3°119.9°
CARCATCAV119.4°120.0°
CARCATCL2121.2°120.0°
CATCAVFAW117.5°120.0°
CAVCATCL2119.3°120.0°
H2CAAH3109.5°109.4°
H2CAAH4109.5°109.5°
H3CAAH4109.4°109.5°
H5CABH6109.5°109.4°
H7CAFH8109.5°109.6°
H9CAGH10109.4°109.5°
H16CBEH17109.5°109.5°
H16CBEH18109.5°109.5°
H17CBEH18109.5°109.5°
H19CBFH20109.5°109.5°
H21CBGH22109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACABCACH5120.5°120.0°
CAACABCACH6120.5°120.0°
CAACABCACOAD50.5°0.0°
CAACABCACNAE134.4°179.9°
CABCAAH2H3120.0°119.9°
CABCAAH2H4120.0°120.0°
CABCAAH3H4120.0°120.0°
CAACABH5H6118.5°120.0°
CABCACOADNAE174.5°179.9°
CABCACNAECBG39.1°180.0°
CABCACNAECAF177.4°0.1°
CACCABCAAH2180.0°179.9°
CACCABCAAH360.0°60.0°
CACCABCAAH460.0°60.1°
CACCABH5H6118.5°120.0°
OADCACNAECBG146.0°0.1°
OADCACNAECAF7.8°180.0°
OADCACCABH570.0°120.0°
OADCACCABH6171.0°120.0°
CACNAECBGCBF102.1°126.3°
CACNAECBGCAF137.5°179.9°
CACNAECAFCAG100.9°126.3°
NAECACCABH5105.1°60.1°
NAECACCABH613.9°59.9°
CACNAECAFH719.8°113.9°
CACNAECAFH8138.3°6.5°
CACNAECBGH2118.7°6.5°
CACNAECBGH22137.1°113.9°
CBFCBGNAEH21120.8°119.8°
CBFCBGNAEH22120.8°119.8°
CBGCBFCAHH19119.7°120.0°
CBGCBFCAHH20119.7°120.0°
CBFCBGNAECAF35.4°53.6°
CBGCBFCAHCAG65.5°61.4°
CBGCBFCAHOAI179.0°178.6°
CBGCBFCAHH1154.8°58.6°
CBGCBFH19H20120.8°120.2°
CBFCBGH21H22117.6°120.4°
NAECBGCBFCAH50.2°54.6°
CBGNAECAFCAG35.7°53.6°
CBGNAECAFH7156.5°66.2°
CBGNAECAFH885.0°173.4°
NAECBGCBFH19169.9°65.3°
NAECBGCBFH2069.5°174.6°
NAECBGH21H22117.5°120.3°
CBFCAHCAGOAI117.7°120.0°
CBFCAHCAGH11120.3°120.0°
CBFCAHOAIH11123.2°120.0°
CBFCAHCAGCAF67.1°61.4°
CBFCAHOAICAJ68.2°84.6°
CBFCAHCAGH9172.9°58.6°
CBFCAHCAGH1053.0°178.7°
CAHCBFH19H20120.8°120.0°
CAHCBFCBGH21171.0°174.4°
CAHCBFCBGH2270.6°65.2°
NAECAFCAGCAH51.1°54.7°
NAECAFCAGH7120.7°119.8°
NAECAFCAGH8120.7°119.9°
NAECAFH7H8117.7°120.5°
NAECAFCAGH9171.1°65.3°
NAECAFCAGH1069.0°174.6°
CAFNAECBGH21156.2°173.4°
CAFNAECBGH2285.4°66.2°
CAQCAPCAOH13180.0°179.9°
CAPCAQCARH14180.0°180.0°
CAQCAPCAONAN179.7°179.8°
CAQCAPCAOCAV0.5°0.0°
CAPCAQCARCL1180.0°180.0°
CAPCAQCARCAT0.2°0.0°
CAOCAPCAQCAR0.2°0.0°
CAPCAONANC6120.9°29.3°
CAPCAONANCAV179.2°179.8°
CAPCAOCAVCAT1.4°0.0°
CAPCAOCAVFAW179.7°180.0°
CAOCAPCAQH14179.8°180.0°
CAPCAONANH2359.1°150.7°
CAQCARCL1CAT179.9°180.0°
CAQCARCATCAV1.1°0.0°
CAQCARCATCL2179.8°180.0°
CARCAQCAPH13179.8°179.9°
N3C2N1H1180.0°179.4°
N3C2N1C60.4°0.3°
C2N3C4CBB179.8°179.7°
C2N3C4C50.4°0.5°
N1C2N3C40.3°0.6°
C2N1C6C50.5°0.1°
C2N1C6NAN180.0°180.0°
N3C4CBBC5179.4°179.7°
N3C4CBBCBC179.3°179.7°
N3C4C5C60.5°0.3°
N3C4C5CAK179.6°179.7°
C4N3C2H1179.6°180.0°
N3C4CBBH150.7°0.2°
CAGCAHOAIH11120.8°120.0°
CAHCAGCAFH9120.0°120.0°
CAHCAGCAFH10120.0°120.0°
CAGCAHOAICAJ175.9°155.4°
CAHCAGCAFH7171.8°65.1°
CAHCAGCAFH869.7°174.6°
CAHCAGH9H10119.9°120.1°
CAGCAHCBFH19174.8°58.6°
CAGCAHCBFH2054.3°178.6°
OAICAHCAGCAF175.2°178.6°
CAHOAICAJCBC157.0°174.2°
CAHOAICAJCAK23.8°5.8°
OAICAHCAGH955.2°61.4°
OAICAHCAGH1064.7°58.7°
OAICAHCBFH1959.3°61.4°
OAICAHCBFH2061.3°58.7°
N1C6C5C40.6°0.0°
N1C6C5NAN179.5°179.9°
N1C6C5CAK179.6°180.0°
N1C6NANCAO5.8°5.9°
C6N1C2H1179.6°179.7°
N1C6NANH23174.2°174.1°
CAGCAFH7H8117.7°120.2°
CAFCAGH9H10120.0°120.1°
CAFCAGCAHH1153.3°58.6°
C4CBBCBCH15180.0°179.9°
CBBC4C5C6179.9°180.0°
CBBC4C5CAK0.2°0.0°
C4CBBCBCOBD179.5°180.0°
C4CBBCBCCAJ0.1°0.1°
C5C4CBBCBC0.1°0.1°
C4C5C6CAK179.9°180.0°
C4C5C6NAN179.9°179.9°
C4C5CAKCAJ0.4°0.0°
C4C5CAKH12179.6°180.0°
C5C4CBBH15179.9°180.0°
CBBCBCOBDCAJ179.4°179.9°
CBBCBCOBDCBE8.6°0.1°
CBBCBCCAJCAK0.1°0.0°
CBBCBCCAJOAI179.4°180.0°
C5C6NANCAO174.6°174.0°
C6C5CAKCAJ179.7°180.0°
C6C5CAKH120.3°0.0°
C5C6NANH235.3°6.0°
NANC6C5CAK0.0°0.1°
C6NANCAOH23180.0°180.0°
C6NANCAOCAV59.8°150.9°
C5CAKCAJCBC0.4°0.0°
C5CAKCAJH12180.0°180.0°
C5CAKCAJOAI179.5°180.0°
OBDCBCCAJCAK179.3°179.9°
OBDCBCCAJOAI0.0°0.0°
OBDCBCCBBH150.5°0.1°
CBCOBDCBEH16180.0°180.0°
CBCOBDCBEH1760.0°60.0°
CBCOBDCBEH1860.0°60.0°
CAJCBCOBDCBE170.8°180.0°
CBCCAJCAKOAI179.1°180.0°
CBCCAJCAKH12179.6°180.0°
CAJCBCCBBH15179.9°180.0°
OBDCBEH16H17120.0°120.0°
OBDCBEH16H18120.0°120.0°
OBDCBEH17H18120.0°120.0°
NANCAOCAVCAT179.3°179.8°
NANCAOCAVFAW0.5°0.2°
NANCAOCAPH130.3°0.3°
CAJOAICAHH1155.0°35.4°
OAICAJCAKH120.5°0.0°
CAOCAVCATCAR1.7°0.0°
CAOCAVCATFAW178.9°180.0°
CAOCAVCATCL2179.6°180.0°
CAVCAOCAPH13179.5°179.9°
CAVCAONANH23120.1°29.1°
CL1CARCATCAV179.0°180.0°
CL1CARCATCL20.3°0.0°
CL1CARCAQH140.0°0.1°
CARCATCAVCL2178.7°180.0°
CARCATCAVFAW179.3°180.0°
CATCARCAQH14179.8°180.0°
FAWCAVCATCL20.6°0.0°
H2CAAH3H4120.0°120.0°
H2CAACABH559.5°59.9°
H2CAACABH659.5°60.0°
H3CAACABH560.5°60.0°
H3CAACABH6179.5°179.9°
H4CAACABH5179.6°179.9°
H4CAACABH660.5°60.0°
H7CAFCAGH968.2°174.9°
H7CAFCAGH1051.8°54.8°
H8CAFCAGH950.3°54.6°
H8CAFCAGH10170.3°65.5°
H9CAGCAHH1166.8°178.6°
H10CAGCAHH11173.3°61.4°
H11CAHCBFH1964.9°178.6°
H11CAHCBFH20174.5°61.4°
H13CAPCAQH140.2°0.1°
H16CBEH17H18120.0°120.0°
H19CBFCBGH2169.3°54.5°
H19CBFCBGH2249.1°174.9°
H20CBFCBGH2151.3°65.6°
H20CBFCBGH22169.7°54.8°

225946

PDB entries from 2024-10-09

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