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AKI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.32Å1.32ÅAromatic
N1C6sing1.33Å1.34ÅAromatic
C2N3sing1.32Å1.32ÅAromatic
N3C4doub1.33Å1.34ÅAromatic
C4C5sing1.40Å1.39ÅAromatic
C4NBNsing1.38Å1.33Å
C5C6doub1.40Å1.39ÅAromatic
C5CAGsing1.47Å1.39ÅAromatic
C6OAIsing1.34Å1.38ÅAromatic
CAACABdoub1.38Å1.39ÅAromatic
CAACAFsing1.38Å1.39ÅAromatic
CABCACsing1.39Å1.39ÅAromatic
CACCADdoub1.40Å1.39ÅAromatic
CACCAGsing1.48Å1.39ÅAromatic
CADCAEsing1.38Å1.39ÅAromatic
CAECAFdoub1.38Å1.39ÅAromatic
CAGCAHdoub1.37Å1.38ÅAromatic
CAHOAIsing1.35Å1.37ÅAromatic
CAHCALsing1.47Å1.39ÅAromatic
CALCAMdoub1.40Å1.39ÅAromatic
CALCAQsing1.40Å1.39ÅAromatic
CAMCANsing1.38Å1.39ÅAromatic
CANCAOdoub1.38Å1.39ÅAromatic
CAOCAPsing1.38Å1.39ÅAromatic
CAPCAQdoub1.38Å1.39ÅAromatic
CAVCAWsing1.53Å1.53Å
CAVNBNsing1.47Å1.47Å
CAWCAXsing1.51Å1.53Å
CAXCAYdoub1.38Å1.39ÅAromatic
CAXCBCsing1.38Å1.39ÅAromatic
CAYCAZsing1.38Å1.39ÅAromatic
CAZCBAdoub1.39Å1.39ÅAromatic
CBACBBsing1.39Å1.39ÅAromatic
CBANBDsing1.40Å1.33Å
CBBCBCdoub1.38Å1.39ÅAromatic
NBDCBEsing1.35Å1.33Å
CBENBFsing1.35Å1.33Å
CBEOBMdoub1.22Å1.23Å
NBFCBGsing1.40Å1.33Å
CBGCBHdoub1.39Å1.39ÅAromatic
CBGCBLsing1.39Å1.39ÅAromatic
CBHCBIsing1.38Å1.39ÅAromatic
CBICBJdoub1.38Å1.39ÅAromatic
CBJCBKsing1.38Å1.39ÅAromatic
CBKCBLdoub1.38Å1.39ÅAromatic
C2H2sing1.08Å1.08Å
CAAHAAsing1.08Å1.08Å
CABHABsing1.08Å1.08Å
CADHADsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CANHANsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
CAQHAQsing1.08Å1.08Å
CAVHAVsing1.09Å1.10Å
CAVHAVAsing1.09Å1.10Å
CAWHAWsing1.09Å1.10Å
CAWHAWAsing1.09Å1.10Å
CAYHAYsing1.08Å1.08Å
CAZHAZsing1.08Å1.08Å
CBBHBBsing1.08Å1.08Å
CBCHBCsing1.08Å1.08Å
NBDHNBDsing0.97Å1.00Å
NBFHNBFsing0.97Å1.00Å
CBHHBHsing1.08Å1.08Å
CBIHBIsing1.08Å1.08Å
CBJHBJsing1.08Å1.08Å
CBKHBKsing1.08Å1.08Å
CBLHBLsing1.08Å1.08Å
NBNHNBNsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6120.7°120.8°
N1C2N3121.9°122.8°
N1C2H2119.0°118.6°
N1C6C5118.8°118.4°
N1C6OAI132.4°133.9°
C2N3C4120.7°120.9°
N3C2H2119.0°118.6°
N3C4C5118.8°118.3°
N3C4NBN120.6°120.9°
C5C4NBN120.6°120.9°
C4C5C6119.0°118.9°
C4C5CAG134.0°135.2°
C4NBNCAV120.0°120.0°
C4NBNHNBN106.1°120.0°
C6C5CAG107.0°105.9°
C5C6OAI108.8°107.7°
C5CAGCAC126.1°127.2°
C5CAGCAH107.8°105.6°
C6OAICAH107.6°111.2°
CABCAACAF120.0°120.2°
CAACABCAC120.0°119.9°
CABCAAHAA120.0°119.9°
CAACABHAB120.0°120.1°
CAACAFCAE120.0°120.2°
CAFCAAHAA120.0°119.9°
CAACAFHAF120.0°119.9°
CABCACCAD120.0°119.7°
CABCACCAG120.0°120.2°
CACCABHAB120.0°120.1°
CADCACCAG120.0°120.1°
CACCADCAE120.0°119.8°
CACCADHAD120.0°120.1°
CACCAGCAH126.1°127.1°
CADCAECAF120.0°120.2°
CAECADHAD120.0°120.1°
CADCAEHAE120.0°119.9°
CAFCAEHAE120.0°119.9°
CAECAFHAF120.0°119.8°
CAGCAHOAI108.8°109.5°
CAGCAHCAL125.6°125.2°
OAICAHCAL125.6°125.2°
CAHCALCAM120.0°120.2°
CAHCALCAQ120.0°120.2°
CAMCALCAQ120.0°119.7°
CALCAMCAN120.0°119.9°
CALCAMHAM120.0°120.1°
CALCAQCAP120.0°119.8°
CALCAQHAQ120.0°120.1°
CAMCANCAO120.0°120.1°
CANCAMHAM120.0°120.0°
CAMCANHAN120.0°120.0°
CANCAOCAP120.0°120.3°
CAOCANHAN120.0°119.9°
CANCAOHAO120.0°119.8°
CAOCAPCAQ120.0°120.2°
CAPCAOHAO120.0°119.9°
CAOCAPHAP120.0°119.9°
CAQCAPHAP120.0°119.9°
CAPCAQHAQ120.0°120.1°
CAWCAVNBN109.5°109.5°
CAVCAWCAX111.0°109.4°
CAWCAVHAV109.4°109.5°
CAWCAVHAVA109.5°109.5°
CAVCAWHAW109.0°109.5°
CAVCAWHAWA109.0°109.5°
NBNCAVHAV109.5°109.5°
NBNCAVHAVA109.4°109.4°
CAVNBNHNBN106.1°120.0°
CAWCAXCAY120.0°119.9°
CAWCAXCBC120.0°119.9°
CAXCAWHAW109.0°109.5°
CAXCAWHAWA108.9°109.5°
CAYCAXCBC120.0°120.1°
CAXCAYCAZ120.0°120.1°
CAXCAYHAY120.0°120.0°
CAXCBCCBB120.0°120.1°
CAXCBCHBC120.0°120.0°
CAYCAZCBA120.0°119.9°
CAZCAYHAY120.0°120.0°
CAYCAZHAZ120.0°120.1°
CAZCBACBB120.0°119.9°
CAZCBANBD120.0°120.1°
CBACAZHAZ120.0°120.0°
CBBCBANBD120.0°120.1°
CBACBBCBC120.0°119.9°
CBACBBHBB120.0°120.1°
CBANBDCBE120.1°120.0°
CBANBDHNBD120.0°120.0°
CBCCBBHBB120.0°120.0°
CBBCBCHBC120.0°120.0°
NBDCBENBF116.6°120.0°
NBDCBEOBM121.7°120.0°
CBENBDHNBD120.0°120.0°
NBFCBEOBM121.7°120.0°
CBENBFCBG120.0°120.0°
CBENBFHNBF120.0°120.0°
NBFCBGCBH120.0°120.1°
NBFCBGCBL120.1°120.0°
CBGNBFHNBF120.0°120.0°
CBHCBGCBL120.0°119.9°
CBGCBHCBI120.0°119.9°
CBGCBHHBH120.0°120.0°
CBGCBLCBK120.1°119.9°
CBGCBLHBL120.0°120.1°
CBHCBICBJ120.0°120.1°
CBICBHHBH120.0°120.1°
CBHCBIHBI120.0°119.9°
CBICBJCBK120.0°120.1°
CBJCBIHBI120.0°120.0°
CBICBJHBJ120.0°120.0°
CBJCBKCBL120.0°120.1°
CBKCBJHBJ120.0°119.9°
CBJCBKHBK120.0°120.0°
CBLCBKHBK120.0°120.0°
CBKCBLHBL120.0°120.0°
HAVCAVHAVA109.5°109.5°
HAWCAWHAWA110.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N3H2180.0°180.0°
N1C2N3C40.0°0.0°
C2N1C6C50.0°0.0°
C2N1C6OAI180.0°180.0°
C6N1C2N30.0°0.0°
N1C6C5C40.1°0.0°
N1C6C5OAI179.9°179.9°
N1C6C5CAG180.0°180.0°
N1C6OAICAH180.0°179.9°
C6N1C2H2180.0°180.0°
C2N3C4C50.0°0.0°
C2N3C4NBN180.0°179.9°
N3C4C5NBN180.0°179.9°
N3C4C5C60.1°0.0°
N3C4C5CAG180.0°180.0°
N3C4NBNCAV0.9°0.0°
C4N3C2H2180.0°180.0°
N3C4NBNHNBN120.9°180.0°
C4C5C6CAG180.0°180.0°
C4C5C6OAI180.0°180.0°
C4C5CAGCAC0.0°0.0°
C4C5CAGCAH180.0°180.0°
C5C4NBNCAV179.1°180.0°
C5C4NBNHNBN59.1°0.1°
NBNC4C5C6180.0°179.9°
NBNC4C5CAG0.0°0.1°
C4NBNCAVCAW88.6°180.0°
C4NBNCAVHNBN120.0°179.9°
C4NBNCAVHAV151.4°59.9°
C4NBNCAVHAVA31.4°60.0°
C6C5CAGCAC180.0°180.0°
C6C5CAGCAH0.0°0.0°
C5C6OAICAH0.0°0.0°
CAGC5C6OAI0.0°0.0°
C5CAGCACCAB123.3°113.0°
C5CAGCACCAD56.6°67.0°
C5CAGCACCAH180.0°179.9°
C5CAGCAHOAI0.0°0.1°
C5CAGCAHCAL180.0°180.0°
C6OAICAHCAG0.0°0.0°
C6OAICAHCAL180.0°179.9°
CABCAACAFHAA180.0°179.7°
CAACABCACHAB180.0°180.0°
CAACABCACCAD0.1°0.0°
CAACABCACCAG180.0°180.0°
CABCAACAFCAE0.1°0.0°
CABCAACAFHAF180.0°180.0°
CAFCAACABCAC0.1°0.0°
CAACAFCAECAD0.1°0.1°
CAACAFCAEHAF180.0°179.9°
CAFCAACABHAB179.9°180.0°
CAACAFCAEHAE179.9°180.0°
CABCACCADCAG180.0°180.0°
CABCACCADCAE0.1°0.0°
CABCACCAGCAH56.7°66.9°
CACCABCAAHAA179.9°179.7°
CABCACCADHAD179.9°180.0°
CACCADCAEHAD180.0°180.0°
CACCADCAECAF0.1°0.0°
CADCACCAGCAH123.4°113.1°
CADCACCABHAB179.9°180.0°
CACCADCAEHAE179.9°180.0°
CAGCACCADCAE180.0°180.0°
CACCAGCAHOAI180.0°180.0°
CACCAGCAHCAL0.0°0.1°
CAGCACCABHAB0.0°0.0°
CAGCACCADHAD0.0°0.0°
CADCAECAFHAE180.0°180.0°
CADCAECAFHAF180.0°180.0°
CAECAFCAAHAA179.9°179.7°
CAFCAECADHAD179.9°180.0°
CAGCAHOAICAL180.0°179.9°
CAGCAHCALCAM11.1°133.2°
CAGCAHCALCAQ168.9°47.0°
OAICAHCALCAM168.9°46.9°
OAICAHCALCAQ11.1°132.9°
CAHCALCAMCAQ180.0°179.8°
CAHCALCAMCAN180.0°180.0°
CAHCALCAQCAP180.0°179.7°
CAHCALCAMHAM0.0°0.0°
CAHCALCAQHAQ0.0°0.0°
CALCAMCANHAM180.0°180.0°
CALCAMCANCAO0.0°0.0°
CAMCALCAQCAP0.0°0.5°
CALCAMCANHAN180.0°180.0°
CAMCALCAQHAQ180.0°179.7°
CAQCALCAMCAN0.0°0.2°
CALCAQCAPCAO0.0°0.6°
CALCAQCAPHAQ180.0°179.7°
CAQCALCAMHAM179.9°179.7°
CALCAQCAPHAP180.0°179.7°
CAMCANCAOHAN180.0°180.0°
CAMCANCAOCAP0.0°0.0°
CAMCANCAOHAO180.0°180.0°
CANCAOCAPHAO180.0°180.0°
CANCAOCAPCAQ0.0°0.3°
CAOCANCAMHAM179.9°180.0°
CANCAOCAPHAP180.0°180.0°
CAOCAPCAQHAP180.0°179.7°
CAPCAOCANHAN180.0°180.0°
CAOCAPCAQHAQ180.0°179.7°
CAQCAPCAOHAO180.0°179.7°
CAWCAVNBNHAV120.0°120.0°
CAWCAVNBNHAVA120.0°120.0°
CAVCAWCAXHAW120.0°120.0°
CAVCAWCAXHAWA120.0°119.9°
CAVCAWCAXCAY66.0°90.0°
CAVCAWCAXCBC113.9°90.3°
CAWCAVHAVHAVA120.0°120.1°
CAVCAWHAWHAWA119.4°120.0°
CAWCAVNBNHNBN151.4°0.0°
NBNCAVCAWCAX177.1°180.0°
NBNCAVHAVHAVA120.0°119.9°
NBNCAVCAWHAW57.1°60.0°
NBNCAVCAWHAWA62.9°60.0°
CAWCAXCAYCBC180.0°179.7°
CAWCAXCAYCAZ180.0°180.0°
CAWCAXCBCCBB180.0°179.8°
CAXCAWCAVHAV57.1°60.0°
CAXCAWCAVHAVA62.9°60.0°
CAXCAWHAWHAWA119.3°120.0°
CAWCAXCAYHAY0.0°0.0°
CAWCAXCBCHBC0.0°0.0°
CAXCAYCAZHAY180.0°180.0°
CAXCAYCAZCBA0.0°0.0°
CAYCAXCBCCBB0.0°0.5°
CAYCAXCAWHAW173.9°30.0°
CAYCAXCAWHAWA54.0°150.0°
CAXCAYCAZHAZ180.0°180.0°
CAYCAXCBCHBC180.0°179.7°
CBCCAXCAYCAZ0.0°0.3°
CAXCBCCBBCBA0.0°0.5°
CAXCBCCBBHBC180.0°179.8°
CBCCAXCAWHAW6.1°149.7°
CBCCAXCAWHAWA126.1°29.7°
CBCCAXCAYHAY180.0°179.7°
CAXCBCCBBHBB180.0°179.7°
CAYCAZCBAHAZ180.0°180.0°
CAYCAZCBACBB0.0°0.0°
CAYCAZCBANBD180.0°180.0°
CAZCBACBBNBD180.0°180.0°
CAZCBACBBCBC0.0°0.2°
CAZCBANBDCBE115.7°35.6°
CBACAZCAYHAY180.0°180.0°
CAZCBACBBHBB179.9°180.0°
CAZCBANBDHNBD64.3°144.4°
CBACBBCBCHBB180.0°179.8°
CBBCBANBDCBE64.3°144.5°
CBBCBACAZHAZ180.0°180.0°
CBACBBCBCHBC180.0°179.7°
CBBCBANBDHNBD115.8°35.6°
NBDCBACBBCBC180.0°179.8°
CBANBDCBEHNBD180.0°180.0°
CBANBDCBENBF180.0°175.2°
CBANBDCBEOBM0.0°4.7°
NBDCBACAZHAZ0.0°0.0°
NBDCBACBBHBB0.0°0.0°
NBDCBENBFOBM180.0°179.9°
NBDCBENBFCBG179.9°174.9°
NBDCBENBFHNBF0.1°5.2°
CBENBFCBGHNBF180.0°179.9°
CBENBFCBGCBH149.4°33.1°
CBENBFCBGCBL30.6°147.2°
NBFCBENBDHNBD0.0°4.8°
OBMCBENBFCBG0.1°5.1°
OBMCBENBDHNBD180.0°175.3°
OBMCBENBFHNBF179.9°174.8°
NBFCBGCBHCBL180.0°179.7°
NBFCBGCBHCBI180.0°179.9°
NBFCBGCBLCBK179.9°179.8°
NBFCBGCBHHBH0.0°0.0°
NBFCBGCBLHBL0.0°0.0°
CBGCBHCBIHBH180.0°180.0°
CBGCBHCBICBJ0.1°0.0°
CBHCBGCBLCBK0.0°0.5°
CBHCBGNBFHNBF30.6°147.0°
CBGCBHCBIHBI179.9°180.0°
CBHCBGCBLHBL180.0°179.7°
CBLCBGCBHCBI0.0°0.2°
CBGCBLCBKCBJ0.0°0.6°
CBGCBLCBKHBL180.0°179.7°
CBLCBGNBFHNBF149.4°32.7°
CBLCBGCBHHBH180.0°179.7°
CBGCBLCBKHBK179.9°179.7°
CBHCBICBJHBI180.0°180.0°
CBHCBICBJCBK0.1°0.0°
CBHCBICBJHBJ179.9°180.0°
CBICBJCBKHBJ180.0°179.9°
CBICBJCBKCBL0.0°0.3°
CBJCBICBHHBH179.9°180.0°
CBICBJCBKHBK180.0°180.0°
CBJCBKCBLHBK180.0°179.7°
CBKCBJCBIHBI179.9°180.0°
CBJCBKCBLHBL180.0°179.7°
CBLCBKCBJHBJ180.0°179.8°
HAACAACABHAB0.1°0.3°
HAACAACAFHAF0.1°0.2°
HADCADCAEHAE0.1°0.0°
HAECAECAFHAF0.0°0.1°
HAMCAMCANHAN0.1°0.0°
HANCANCAOHAO0.0°0.0°
HAOCAOCAPHAP0.0°0.0°
HAPCAPCAQHAQ0.0°0.0°
HAVCAVCAWHAW62.9°60.0°
HAVCAVCAWHAWA177.1°180.0°
HAVCAVNBNHNBN31.4°120.0°
HAVACAVCAWHAW177.1°180.0°
HAVACAVCAWHAWA57.1°59.9°
HAVACAVNBNHNBN88.6°120.1°
HAYCAYCAZHAZ0.0°0.1°
HBBCBBCBCHBC0.0°0.1°
HBHCBHCBIHBI0.1°0.0°
HBICBICBJHBJ0.1°0.1°
HBJCBJCBKHBK0.0°0.0°
HBKCBKCBLHBL0.0°0.0°

220113

PDB entries from 2024-05-22

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