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Q28

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBGCBFsing1.39Å1.39ÅAromatic
CBGCAXdoub1.38Å1.40ÅAromatic
CBFCBEdoub1.36Å1.39ÅAromatic
CBECBDsing1.40Å1.39ÅAromatic
CBDCBCdoub1.41Å1.39ÅAromatic
CBDCAYsing1.42Å1.39ÅAromatic
CBCCBBsing1.37Å1.39ÅAromatic
CBBCBAdoub1.39Å1.39ÅAromatic
CBANAZsing1.31Å1.40ÅAromatic
NAZCAYdoub1.33Å1.34ÅAromatic
CAYCAXsing1.41Å1.40ÅAromatic
CAXNAWsing1.40Å1.35Å
NAWCAUsing1.35Å1.36Å
CAUOAVdoub1.22Å1.23Å
CAUCARsing1.48Å1.40Å
CARCASsing1.40Å1.39ÅAromatic
CARCAQdoub1.40Å1.39ÅAromatic
CASCATdoub1.38Å1.39ÅAromatic
CATCAOsing1.39Å1.39ÅAromatic
CAQCAPsing1.38Å1.39ÅAromatic
CAPCAOdoub1.39Å1.39ÅAromatic
CAONANsing1.39Å1.34Å
NANCALsing1.35Å1.34Å
CALOAMdoub1.21Å1.23Å
CALCAKsing1.51Å1.53Å
CAKCAJsing1.53Å1.53Å
CAJCAIsing1.51Å1.39Å
CAINAHdoub1.30Å1.34Å
CAINBHsing1.36Å1.40Å
NAHCAGsing1.36Å1.34Å
CAGCABsing1.40Å1.39ÅAromatic
CAGCAFdoub1.41Å1.39ÅAromatic
CABCAAsing1.51Å1.39Å
CABCACdoub1.38Å1.39ÅAromatic
CACCADsing1.39Å1.39ÅAromatic
CADCAEdoub1.38Å1.39ÅAromatic
CAECAFsing1.39Å1.39ÅAromatic
CAFCBIsing1.47Å1.39Å
CBIOBJdoub1.22Å1.23Å
CBINBHsing1.35Å1.40Å
CBGHBGsing1.08Å1.08Å
CBFHBFsing1.08Å1.08Å
CBEHBEsing1.08Å1.08Å
CBCHBCsing1.08Å1.08Å
CBBHBBsing1.08Å1.08Å
CBAHBAsing1.08Å1.08Å
NAWHAWsing0.97Å1.00Å
CASHASsing1.08Å1.08Å
CAQHAQsing1.08Å1.08Å
CATHATsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
NANHANsing0.97Å1.00Å
CAKHAK1sing1.09Å1.10Å
CAKHAK2sing1.09Å1.10Å
CAJHAJ1sing1.09Å1.10Å
CAJHAJ2sing1.09Å1.10Å
NBHHBHsing0.97Å1.00Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CACHACsing1.08Å1.08Å
CADHADsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBFCBGCAX119.5°120.9°
CBGCBFCBE120.7°121.0°
CBFCBGHBG120.3°119.6°
CBGCBFHBF119.7°119.6°
CBGCAXCAY119.6°119.5°
CBGCAXNAW127.5°120.3°
CAXCBGHBG120.2°119.5°
CBFCBECBD119.9°119.9°
CBECBFHBF119.7°119.4°
CBFCBEHBE120.1°120.1°
CBECBDCBC119.6°121.3°
CBECBDCAY119.9°119.7°
CBDCBEHBE120.1°120.1°
CBCCBDCAY120.4°119.0°
CBDCBCCBB119.9°118.1°
CBDCBCHBC120.1°121.0°
CBDCAYNAZ119.7°119.9°
CBDCAYCAX120.5°119.0°
CBCCBBCBA119.2°120.0°
CBBCBCHBC120.1°120.9°
CBCCBBHBB120.4°120.0°
CBBCBANAZ119.7°121.7°
CBACBBHBB120.4°120.1°
CBBCBAHBA120.1°119.2°
CBANAZCAY121.0°121.4°
NAZCBAHBA120.1°119.1°
NAZCAYCAX119.8°121.1°
CAYCAXNAW112.9°120.3°
CAXNAWCAU124.0°120.0°
CAXNAWHAW118.0°120.0°
NAWCAUOAV126.4°120.0°
NAWCAUCAR114.7°120.0°
CAUNAWHAW118.0°120.0°
OAVCAUCAR118.8°120.0°
CAUCARCAS120.9°120.1°
CAUCARCAQ120.2°120.0°
CASCARCAQ118.9°119.9°
CARCASCAT120.4°119.9°
CARCASHAS119.8°120.1°
CARCAQCAP120.6°119.9°
CARCAQHAQ119.7°120.0°
CASCATCAO120.8°120.1°
CATCASHAS119.8°120.0°
CASCATHAT119.6°120.0°
CATCAOCAP119.1°120.2°
CATCAONAN116.3°119.9°
CAOCATHAT119.6°119.9°
CAQCAPCAO120.1°120.0°
CAPCAQHAQ119.7°120.0°
CAQCAPHAP119.9°119.9°
CAPCAONAN124.6°119.9°
CAOCAPHAP119.9°120.0°
CAONANCAL122.1°120.0°
CAONANHAN118.9°120.0°
NANCALOAM126.4°120.0°
NANCALCAK112.7°120.0°
CALNANHAN119.0°120.0°
OAMCALCAK120.9°120.0°
CALCAKCAJ110.6°109.5°
CALCAKHAK1109.2°109.5°
CALCAKHAK2109.2°109.4°
CAKCAJCAI110.4°109.5°
CAJCAKHAK1109.2°109.5°
CAJCAKHAK2109.2°109.5°
CAKCAJHAJ1109.2°109.5°
CAKCAJHAJ2109.2°109.5°
CAJCAINAH118.8°118.3°
CAJCAINBH120.8°118.3°
CAICAJHAJ1109.2°109.5°
CAICAJHAJ2109.3°109.5°
NAHCAINBH120.4°123.4°
CAINAHCAG121.6°121.5°
CAINBHCBI119.2°120.6°
CAINBHHBH120.5°119.7°
NAHCAGCAB119.8°121.6°
NAHCAGCAF120.3°119.1°
CABCAGCAF119.9°119.4°
CAGCABCAA120.9°120.2°
CAGCABCAC119.8°119.7°
CAGCAFCAE120.3°120.1°
CAGCAFCBI119.8°118.0°
CAACABCAC119.3°120.2°
CABCAAHAA1109.5°109.4°
CABCAAHAA2109.5°109.5°
CABCAAHAA3109.4°109.5°
CABCACCAD120.2°120.9°
CABCACHAC119.9°119.6°
CACCADCAE120.0°120.5°
CADCACHAC119.9°119.6°
CACCADHAD120.0°119.8°
CADCAECAF119.8°119.5°
CAECADHAD120.0°119.7°
CADCAEHAE120.1°120.2°
CAECAFCBI119.9°121.9°
CAFCAEHAE120.1°120.3°
CAFCBIOBJ121.0°121.3°
CAFCBINBH118.7°117.4°
OBJCBINBH120.3°121.3°
CBINBHHBH120.4°119.7°
HAK1CAKHAK2109.5°109.5°
HAJ1CAJHAJ2109.5°109.5°
HAA1CAAHAA2109.5°109.5°
HAA1CAAHAA3109.5°109.5°
HAA2CAAHAA3109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBFCBGCAXHBG180.0°179.8°
CBGCBFCBEHBF180.0°180.0°
CBGCBFCBECBD0.1°0.0°
CBFCBGCAXCAY0.1°0.0°
CBFCBGCAXNAW179.9°180.0°
CBGCBFCBEHBE179.9°180.0°
CAXCBGCBFCBE0.0°0.0°
CBGCAXCAYCBD0.0°0.0°
CBGCAXCAYNAZ179.9°180.0°
CBGCAXCAYNAW179.8°180.0°
CBGCAXNAWCAU3.9°24.9°
CAXCBGCBFHBF180.0°180.0°
CBGCAXNAWHAW176.2°155.1°
CBFCBECBDHBE180.0°180.0°
CBFCBECBDCBC180.0°180.0°
CBFCBECBDCAY0.2°0.0°
CBECBFCBGHBG180.0°179.8°
CBECBDCBCCAY179.8°180.0°
CBECBDCBCCBB180.0°180.0°
CBECBDCAYNAZ180.0°180.0°
CBECBDCAYCAX0.1°0.0°
CBDCBECBFHBF179.9°180.0°
CBECBDCBCHBC0.0°0.0°
CBDCBCCBBHBC180.0°179.9°
CBDCBCCBBCBA0.1°0.1°
CBCCBDCAYNAZ0.1°0.0°
CBCCBDCAYCAX180.0°180.0°
CBCCBDCBEHBE0.0°0.0°
CBDCBCCBBHBB179.9°180.0°
CAYCBDCBCCBB0.1°0.0°
CBDCAYNAZCBA0.1°0.1°
CBDCAYNAZCAX179.9°180.0°
CBDCAYCAXNAW179.8°180.0°
CAYCBDCBEHBE179.8°180.0°
CAYCBDCBCHBC179.9°180.0°
CBCCBBCBAHBB180.0°179.9°
CBCCBBCBANAZ0.0°0.1°
CBCCBBCBAHBA179.9°180.0°
CBBCBANAZHBA180.0°179.9°
CBBCBANAZCAY0.0°0.1°
CBACBBCBCHBC179.9°180.0°
CBANAZCAYCAX180.0°179.9°
NAZCBACBBHBB180.0°180.0°
NAZCAYCAXNAW0.1°0.0°
CAYNAZCBAHBA179.9°180.0°
CAYCAXNAWCAU175.9°155.1°
CAYCAXCBGHBG179.9°179.8°
CAYCAXNAWHAW4.0°24.8°
CAXNAWCAUHAW180.0°180.0°
CAXNAWCAUOAV0.2°5.6°
CAXNAWCAUCAR178.8°174.5°
NAWCAXCBGHBG0.1°0.2°
NAWCAUOAVCAR179.0°180.0°
NAWCAUCARCAS25.7°180.0°
NAWCAUCARCAQ154.2°0.2°
OAVCAUCARCAS155.2°0.1°
OAVCAUCARCAQ24.9°179.7°
OAVCAUNAWHAW179.8°174.4°
CAUCARCASCAQ179.9°179.8°
CAUCARCASCAT179.8°180.0°
CAUCARCAQCAP179.7°180.0°
CARCAUNAWHAW1.2°5.6°
CAUCARCASHAS0.2°0.0°
CAUCARCAQHAQ0.3°0.0°
CARCASCATHAS180.0°180.0°
CARCASCATCAO0.5°0.0°
CASCARCAQCAP0.2°0.2°
CASCARCAQHAQ179.8°179.7°
CARCASCATHAT179.5°180.0°
CAQCARCASCAT0.1°0.2°
CARCAQCAPHAQ180.0°179.9°
CARCAQCAPCAO0.7°0.1°
CAQCARCASHAS179.9°179.8°
CARCAQCAPHAP179.4°180.0°
CASCATCAOHAT180.0°180.0°
CASCATCAOCAP1.0°0.3°
CASCATCAONAN179.4°180.0°
CATCAOCAPCAQ1.0°0.3°
CATCAOCAPNAN178.3°179.7°
CATCAONANCAL147.0°144.9°
CAOCATCASHAS179.5°180.0°
CATCAOCAPHAP179.0°179.8°
CATCAONANHAN33.0°35.1°
CAQCAPCAOHAP180.0°179.9°
CAQCAPCAONAN179.4°180.0°
CAPCAONANCAL34.6°35.3°
CAOCAPCAQHAQ179.3°180.0°
CAPCAOCATHAT179.1°179.7°
CAPCAONANHAN145.4°144.6°
CAONANCALHAN180.0°180.0°
CAONANCALOAM1.2°4.8°
CAONANCALCAK179.0°175.2°
NANCAOCATHAT0.6°0.0°
NANCAOCAPHAP0.7°0.1°
NANCALOAMCAK179.8°179.9°
NANCALCAKCAJ88.9°180.0°
NANCALCAKHAK1151.0°60.0°
NANCALCAKHAK231.3°60.0°
OAMCALCAKCAJ91.3°0.0°
OAMCALNANHAN178.8°175.2°
OAMCALCAKHAK128.8°120.0°
OAMCALCAKHAK2148.5°120.0°
CALCAKCAJHAK1120.2°120.0°
CALCAKCAJHAK2120.2°120.0°
CALCAKCAJCAI91.8°180.0°
CAKCALNANHAN1.0°4.8°
CALCAKHAK1HAK2119.5°120.0°
CALCAKCAJHAJ1148.1°60.0°
CALCAKCAJHAJ228.4°60.0°
CAKCAJCAIHAJ1120.1°120.0°
CAKCAJCAIHAJ2120.1°120.0°
CAKCAJCAINAH61.6°0.0°
CAKCAJCAINBH119.4°179.7°
CAJCAKHAK1HAK2119.5°120.0°
CAKCAJHAJ1HAJ2119.6°120.0°
CAJCAINAHNBH179.0°179.8°
CAJCAINAHCAG179.6°180.0°
CAJCAINBHCBI179.5°179.7°
CAICAJCAKHAK128.4°60.0°
CAICAJCAKHAK2148.1°60.0°
CAICAJHAJ1HAJ2119.6°120.0°
CAJCAINBHHBH0.5°0.0°
CAINAHCAGCAB179.7°179.9°
CAINAHCAGCAF0.4°0.0°
NAHCAINBHCBI0.5°0.5°
NAHCAICAJHAJ158.5°120.0°
NAHCAICAJHAJ2178.2°120.0°
NAHCAINBHHBH179.4°179.8°
NBHCAINAHCAG0.7°0.2°
CAINBHCBICAF0.2°0.5°
CAINBHCBIOBJ179.7°179.7°
CAINBHCBIHBH180.0°179.7°
NBHCAICAJHAJ1120.4°59.7°
NBHCAICAJHAJ20.7°60.3°
NAHCAGCABCAF179.9°180.0°
NAHCAGCABCAA0.1°0.0°
NAHCAGCABCAC180.0°180.0°
NAHCAGCAFCAE180.0°180.0°
NAHCAGCAFCBI0.0°0.0°
CAGCABCAACAC179.9°180.0°
CAGCABCACCAD0.1°0.0°
CABCAGCAFCAE0.1°0.0°
CABCAGCAFCBI179.9°180.0°
CAGCABCAAHAA190.1°90.0°
CAGCABCAAHAA2149.9°150.0°
CAGCABCAAHAA329.9°30.0°
CAGCABCACHAC179.9°180.0°
CAFCAGCABCAA180.0°180.0°
CAFCAGCABCAC0.1°0.0°
CAGCAFCAECAD0.0°0.0°
CAGCAFCAECBI180.0°180.0°
CAGCAFCBIOBJ180.0°180.0°
CAGCAFCBINBH0.1°0.2°
CAGCAFCAEHAE180.0°179.9°
CAACABCACCAD179.9°180.0°
CABCAAHAA1HAA2120.0°120.0°
CABCAAHAA1HAA3120.0°120.0°
CABCAAHAA2HAA3120.0°120.0°
CAACABCACHAC0.0°0.0°
CABCACCADHAC180.0°180.0°
CABCACCADCAE0.0°0.0°
CACCABCAAHAA190.1°90.0°
CACCABCAAHAA230.0°30.0°
CACCABCAAHAA3149.9°150.0°
CABCACCADHAD180.0°179.9°
CACCADCAEHAD180.0°180.0°
CACCADCAECAF0.0°0.0°
CACCADCAEHAE180.0°179.9°
CADCAECAFHAE180.0°179.9°
CADCAECAFCBI180.0°180.0°
CAECADCACHAC180.0°180.0°
CAECAFCBIOBJ0.0°0.0°
CAECAFCBINBH179.9°179.7°
CAFCAECADHAD180.0°180.0°
CAFCBIOBJNBH179.9°179.8°
CAFCBINBHHBH179.8°179.8°
CBICAFCAEHAE0.0°0.1°
OBJCBINBHHBH0.3°0.0°
HBGCBGCBFHBF0.0°0.2°
HBFCBFCBEHBE0.1°0.0°
HBCCBCCBBHBB0.1°0.1°
HBBCBBCBAHBA0.1°0.1°
HASCASCATHAT0.5°0.0°
HAQCAQCAPHAP0.7°0.1°
HAK1CAKCAJHAJ191.7°180.0°
HAK1CAKCAJHAJ2148.5°60.0°
HAK2CAKCAJHAJ127.9°60.0°
HAK2CAKCAJHAJ291.8°180.0°
HAA1CAAHAA2HAA3120.0°120.0°
HACCACCADHAD0.0°0.0°
HADCADCAEHAE0.0°0.1°

222415

PDB entries from 2024-07-10

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