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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBCOBBsing1.43Å1.44Å
OBBCBGsing1.36Å1.38Å
CBGCBHsing1.39Å1.41ÅAromatic
CBGCBFdoub1.39Å1.40ÅAromatic
CBHCBEdoub1.38Å1.39ÅAromatic
CBECBDsing1.38Å1.39ÅAromatic
CBDCAUdoub1.38Å1.40ÅAromatic
CAUCBFsing1.39Å1.40ÅAromatic
CBFNATsing1.40Å1.42Å
NATCASsing1.35Å1.42Å
NATCAFsing1.36Å1.37Å
CASOBAdoub1.22Å1.24Å
CASCARsing1.41Å1.40Å
CARCAQsing1.50Å1.51Å
CARCADdoub1.36Å1.42Å
CAQCAPsing1.53Å1.54Å
CAPCABsing1.53Å1.55Å
CABCACsing1.53Å1.54Å
CACCADsing1.51Å1.56Å
CADNAEsing1.34Å1.34Å
NAECAFdoub1.32Å1.32Å
CAFSAGsing1.76Å1.74Å
SAGCAHsing1.81Å1.86Å
CAHCAIsing1.51Å1.53Å
CAIOAAdoub1.21Å1.25Å
CAINAJsing1.35Å1.29Å
NAJCAKsing1.40Å1.31Å
CAKCALdoub1.38Å1.40ÅAromatic
CAKCAVsing1.40Å1.39ÅAromatic
CALCAMsing1.40Å1.36ÅAromatic
CAMNANdoub1.34Å1.35ÅAromatic
CAMCAXsing1.42Å1.39ÅAromatic
NANCAOsing1.31Å1.33ÅAromatic
CAOCAZdoub1.40Å1.40ÅAromatic
CAZNAYsing1.31Å1.35ÅAromatic
NAYCAXdoub1.34Å1.35ÅAromatic
CAXCAWsing1.41Å1.41ÅAromatic
CAWCAVdoub1.36Å1.42ÅAromatic
CBCHBC1sing1.09Å1.10Å
CBCHBC2sing1.09Å1.10Å
CBCHBC3sing1.09Å1.10Å
CBHHBHsing1.08Å1.08Å
CBEHBEsing1.08Å1.08Å
CBDHBDsing1.08Å1.08Å
CAUHAUsing1.08Å1.08Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CACHAC1sing1.09Å1.10Å
CACHAC2sing1.09Å1.10Å
CAHHAH1sing1.09Å1.10Å
CAHHAH2sing1.09Å1.10Å
NAJHAJsing0.97Å1.00Å
CALHALsing1.08Å1.08Å
CAVHAVsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CAZHAZsing1.08Å1.08Å
CAWHAWsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBCOBBCBG108.5°117.0°
OBBCBCHBC1109.5°109.4°
OBBCBCHBC2109.4°109.5°
OBBCBCHBC3109.5°109.4°
OBBCBGCBH122.1°120.1°
OBBCBGCBF117.6°120.1°
CBHCBGCBF120.3°119.8°
CBGCBHCBE119.5°120.0°
CBGCBHHBH120.2°120.0°
CBGCBFCAU119.7°119.8°
CBGCBFNAT121.6°120.0°
CBHCBECBD119.9°120.2°
CBECBHHBH120.3°120.0°
CBHCBEHBE120.0°119.9°
CBECBDCAU121.1°120.1°
CBDCBEHBE120.1°119.9°
CBECBDHBD119.4°119.9°
CBDCAUCBF119.3°120.0°
CAUCBDHBD119.5°119.9°
CBDCAUHAU120.3°120.0°
CAUCBFNAT118.4°120.1°
CBFCAUHAU120.3°120.0°
CBFNATCAS126.1°120.3°
CBFNATCAF114.8°120.3°
CASNATCAF119.0°119.5°
NATCASOBA122.5°120.4°
NATCASCAR118.5°119.2°
NATCAFNAE121.4°120.9°
NATCAFSAG117.2°119.5°
OBACASCAR118.9°120.4°
CASCARCAQ119.2°118.1°
CASCARCAD119.0°118.9°
CAQCARCAD121.8°123.0°
CARCAQCAP111.9°110.6°
CARCAQHAQ1108.7°109.3°
CARCAQHAQ2108.2°109.3°
CARCADCAC125.6°122.6°
CARCADNAE119.4°119.7°
CAQCAPCAB116.5°108.3°
CAPCAQHAQ1108.7°109.2°
CAPCAQHAQ2108.1°109.2°
CAQCAPHAP1107.2°109.7°
CAQCAPHAP2105.6°109.7°
CAPCABCAC114.5°108.4°
CABCAPHAP1107.2°109.7°
CABCAPHAP2105.6°109.7°
CAPCABHAB1107.8°109.7°
CAPCABHAB2106.7°109.7°
CABCACCAD110.9°110.6°
CACCABHAB1107.9°109.6°
CACCABHAB2106.7°109.7°
CABCACHAC1109.0°109.3°
CABCACHAC2108.7°109.2°
CACCADNAE115.0°117.7°
CADCACHAC1109.0°109.3°
CADCACHAC2108.7°109.2°
CADNAECAF122.7°121.9°
NAECAFSAG121.4°119.5°
CAFSAGCAH102.2°100.0°
SAGCAHCAI97.5°109.5°
SAGCAHHAH1113.7°109.5°
SAGCAHHAH2116.1°109.5°
CAHCAIOAA120.9°120.0°
CAHCAINAJ120.0°120.0°
CAICAHHAH1113.7°109.5°
CAICAHHAH2116.1°109.5°
OAACAINAJ118.5°120.0°
CAINAJCAK140.2°120.0°
CAINAJHAJ109.9°119.9°
NAJCAKCAL108.6°119.7°
NAJCAKCAV130.2°119.6°
CAKNAJHAJ109.9°120.0°
CALCAKCAV121.2°120.6°
CAKCALCAM123.2°119.6°
CAKCALHAL118.4°120.2°
CAKCAVCAW116.1°120.9°
CAKCAVHAV121.9°119.5°
CALCAMNAN119.4°121.0°
CALCAMCAX117.3°119.4°
CAMCALHAL118.4°120.2°
NANCAMCAX123.3°119.5°
CAMNANCAO120.5°119.7°
CAMCAXNAY115.6°119.6°
CAMCAXCAW121.2°119.5°
NANCAOCAZ117.1°120.7°
NANCAOHAO121.4°119.6°
CAOCAZNAY122.0°120.7°
CAZCAOHAO121.5°119.7°
CAOCAZHAZ119.0°119.6°
CAZNAYCAX121.4°119.7°
NAYCAZHAZ119.0°119.6°
NAYCAXCAW123.2°120.9°
CAXCAWCAV121.0°119.9°
CAXCAWHAW119.5°120.0°
CAWCAVHAV121.9°119.5°
CAVCAWHAW119.5°120.1°
HBC1CBCHBC2109.5°109.5°
HBC1CBCHBC3109.5°109.5°
HBC2CBCHBC3109.5°109.6°
HAQ1CAQHAQ2111.3°109.2°
HAP1CAPHAP2115.2°109.8°
HAB1CABHAB2113.4°109.7°
HAC1CACHAC2110.6°109.2°
HAH1CAHHAH2100.6°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBCOBBCBGCBH68.1°0.1°
CBCOBBCBGCBF110.9°179.7°
OBBCBCHBC1HBC2120.0°119.9°
OBBCBCHBC1HBC3120.0°119.9°
OBBCBCHBC2HBC3120.0°120.0°
OBBCBGCBHCBF179.0°179.8°
OBBCBGCBHCBE179.0°180.0°
OBBCBGCBFCAU177.7°179.7°
OBBCBGCBFNAT2.8°0.1°
CBGOBBCBCHBC1174.6°60.0°
CBGOBBCBCHBC254.6°180.0°
CBGOBBCBCHBC365.4°59.9°
OBBCBGCBHHBH1.0°0.0°
CBGCBHCBEHBH180.0°180.0°
CBGCBHCBECBD0.1°0.0°
CBHCBGCBFCAU3.3°0.5°
CBHCBGCBFNAT178.2°179.7°
CBGCBHCBEHBE179.9°180.0°
CBFCBGCBHCBE2.0°0.2°
CBGCBFCAUCBD2.5°0.5°
CBGCBFCAUNAT175.1°179.8°
CBGCBFNATCAS107.9°90.0°
CBGCBFNATCAF74.2°89.8°
CBFCBGCBHHBH178.0°179.8°
CBGCBFCAUHAU177.5°179.7°
CBHCBECBDHBE180.0°179.9°
CBHCBECBDCAU0.9°0.0°
CBHCBECBDHBD179.1°180.0°
CBECBDCAUHBD180.0°180.0°
CBECBDCAUCBF0.4°0.3°
CBDCBECBHHBH179.9°180.0°
CBECBDCAUHAU179.6°180.0°
CBDCAUCBFHAU180.0°179.7°
CBDCAUCBFNAT177.6°179.7°
CAUCBDCBEHBE179.1°179.9°
CAUCBFNATCAS77.1°90.3°
CAUCBFNATCAF100.8°90.0°
CBFCAUCBDHBD179.6°179.7°
CBFNATCASCAF177.9°179.8°
CBFNATCASOBA1.9°0.2°
CBFNATCASCAR178.3°179.7°
CBFNATCAFNAE178.2°180.0°
CBFNATCAFSAG2.4°0.2°
NATCBFCAUHAU2.5°0.0°
NATCASOBACAR179.8°180.0°
NATCASCARCAQ179.2°179.8°
NATCASCARCAD0.3°0.0°
CASNATCAFNAE0.1°0.2°
CASNATCAFSAG179.5°180.0°
CAFNATCASOBA179.8°180.0°
CAFNATCASCAR0.4°0.1°
NATCAFNAECAD0.4°0.5°
NATCAFNAESAG179.4°179.8°
NATCAFSAGCAH163.7°180.0°
OBACASCARCAQ0.6°0.3°
OBACASCARCAD179.9°180.0°
CASCARCAQCAD179.5°179.7°
CASCARCAQCAP164.3°162.7°
CASCARCADCAC179.1°179.6°
CASCARCADNAE0.1°0.3°
CASCARCAQHAQ144.3°77.1°
CASCARCAQHAQ276.7°42.4°
CARCAQCAPHAQ1120.0°120.3°
CARCAQCAPHAQ2119.0°120.3°
CARCAQCAPCAB41.3°50.6°
CAQCARCADCAC1.3°0.7°
CAQCARCADNAE179.7°179.4°
CARCAQHAQ1HAQ2119.0°119.5°
CARCAQCAPHAP178.7°170.3°
CARCAQCAPHAP2158.1°69.0°
CADCARCAQCAP16.1°17.6°
CARCADCACCAB10.2°17.8°
CARCADCACNAE179.0°179.9°
CARCADNAECAF0.5°0.6°
CADCARCAQHAQ1136.1°102.7°
CADCARCAQHAQ2102.8°137.8°
CARCADCACHAC1109.7°138.1°
CARCADCACHAC2129.7°102.5°
CAQCAPCABHAP1120.0°119.8°
CAQCAPCABHAP2116.8°119.7°
CAQCAPCABCAC52.5°69.3°
CAPCAQHAQ1HAQ2119.0°119.4°
CAQCAPHAP1HAP2117.1°120.6°
CAQCAPCABHAB1172.5°50.4°
CAQCAPCABHAB265.3°171.0°
CAPCABCACHAB1120.0°119.7°
CAPCABCACHAB2117.8°119.8°
CAPCABCACCAD33.9°50.9°
CABCAPCAQHAQ1161.3°69.7°
CABCAPCAQHAQ277.7°170.9°
CABCAPHAP1HAP2117.1°120.5°
CAPCABHAB1HAB2117.9°120.6°
CAPCABCACHAC186.0°171.2°
CAPCABCACHAC2153.4°69.3°
CABCACCADHAC1120.0°120.3°
CABCACCADHAC2119.4°120.2°
CABCACCADNAE170.7°162.3°
CACCABCAPHAP167.5°171.0°
CACCABCAPHAP2169.3°50.4°
CACCABHAB1HAB2118.0°120.5°
CABCACHAC1HAC2119.4°119.4°
CACCADNAECAF179.6°179.3°
CADCACCABHAB1153.9°68.8°
CADCACCABHAB283.9°170.7°
CADCACHAC1HAC2119.5°119.4°
CADNAECAFSAG179.0°179.7°
NAECADCACHAC169.3°42.0°
NAECADCACHAC251.3°77.4°
NAECAFSAGCAH15.7°0.2°
CAFSAGCAHCAI100.2°180.0°
CAFSAGCAHHAH1139.8°60.0°
CAFSAGCAHHAH223.7°60.0°
SAGCAHCAIHAH1120.0°120.1°
SAGCAHCAIHAH2123.9°120.0°
SAGCAHCAIOAA25.7°0.1°
SAGCAHCAINAJ145.2°180.0°
SAGCAHHAH1HAH2124.8°120.0°
CAHCAIOAANAJ171.0°180.0°
CAHCAINAJCAK8.2°174.8°
CAICAHHAH1HAH2124.8°119.9°
CAHCAINAJHAJ171.9°5.3°
OAACAINAJCAK179.3°5.2°
OAACAICAHHAH194.4°120.0°
OAACAICAHHAH2149.6°120.1°
OAACAINAJHAJ0.8°174.7°
CAINAJCAKHAJ180.0°179.9°
CAINAJCAKCAL161.2°146.4°
CAINAJCAKCAV21.8°33.9°
NAJCAICAHHAH194.8°59.9°
NAJCAICAHHAH221.3°60.0°
NAJCAKCALCAV177.3°179.7°
NAJCAKCALCAM178.3°180.0°
NAJCAKCAVCAW177.3°179.7°
NAJCAKCALHAL1.7°0.1°
NAJCAKCAVHAV2.7°0.1°
CAKCALCAMHAL180.0°179.9°
CAKCALCAMNAN179.6°180.0°
CAKCALCAMCAX1.0°0.1°
CALCAKCAVCAW0.6°0.6°
CALCAKNAJHAJ18.8°33.5°
CALCAKCAVHAV179.4°179.7°
CAVCAKCALCAM1.0°0.3°
CAKCAVCAWCAX0.3°0.6°
CAKCAVCAWHAV180.0°179.7°
CAVCAKNAJHAJ158.2°146.2°
CAVCAKCALHAL179.0°179.8°
CAKCAVCAWHAW179.7°179.7°
CALCAMNANCAX179.4°179.9°
CALCAMNANCAO179.7°180.0°
CALCAMCAXNAY179.3°180.0°
CALCAMCAXCAW0.6°0.1°
CAMNANCAOCAZ0.7°0.0°
NANCAMCAXNAY1.3°0.1°
NANCAMCAXCAW180.0°180.0°
NANCAMCALHAL0.4°0.1°
CAMNANCAOHAO179.3°179.9°
CAXCAMNANCAO0.3°0.0°
CAMCAXNAYCAZ1.3°0.1°
CAMCAXNAYCAW178.7°179.9°
CAMCAXCAWCAV0.3°0.3°
CAXCAMCALHAL179.0°180.0°
CAMCAXCAWHAW179.8°180.0°
NANCAOCAZHAO180.0°179.9°
NANCAOCAZNAY0.7°0.0°
NANCAOCAZHAZ179.2°179.9°
CAOCAZNAYHAZ180.0°180.0°
CAOCAZNAYCAX0.3°0.1°
CAZNAYCAXCAW179.9°180.0°
NAYCAZCAOHAO179.3°179.9°
NAYCAXCAWCAV178.8°179.8°
CAXNAYCAZHAZ179.7°180.0°
NAYCAXCAWHAW1.2°0.1°
CAXCAWCAVHAW180.0°179.7°
CAXCAWCAVHAV179.7°179.7°
HBC1CBCHBC2HBC3120.0°120.1°
HBHCBHCBEHBE0.1°0.0°
HBECBECBDHBD0.9°0.0°
HBDCBDCAUHAU0.4°0.0°
HAQ1CAQCAPHAP141.3°50.0°
HAQ1CAQCAPHAP281.9°170.7°
HAQ2CAQCAPHAP1162.3°69.4°
HAQ2CAQCAPHAP239.1°51.3°
HAP1CAPCABHAB152.5°69.3°
HAP1CAPCABHAB2174.7°51.2°
HAP2CAPCABHAB170.7°170.1°
HAP2CAPCABHAB251.5°69.3°
HAB1CABCACHAC133.9°51.5°
HAB1CABCACHAC286.6°170.9°
HAB2CABCACHAC1156.2°69.0°
HAB2CABCACHAC235.6°50.4°
HAVCAVCAWHAW0.3°0.0°
HAOCAOCAZHAZ0.8°0.0°

222415

PDB entries from 2024-07-10

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