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044

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAICAAdoub1.40Å1.39ÅAromatic
CAHCAAsing1.38Å1.40ÅAromatic
CAAOBMsing1.36Å1.36Å
CAGCABdoub1.38Å1.40ÅAromatic
CABCACsing1.39Å1.40ÅAromatic
CABHABsing1.08Å1.08Å
CACNADdoub1.31Å1.33ÅAromatic
CACHACsing1.08Å1.08Å
NADCAEsing1.34Å1.35ÅAromatic
CAFCAEsing1.42Å1.40ÅAromatic
CAECAHdoub1.40Å1.39ÅAromatic
CAGCAFsing1.41Å1.39ÅAromatic
CAFCAJdoub1.40Å1.40ÅAromatic
OAKCAGsing1.36Å1.37Å
CAHHAHsing1.08Å1.08Å
CAJCAIsing1.36Å1.39ÅAromatic
CAIHAIsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CALOAKsing1.36Å1.37Å
CANCALdoub1.39Å1.39ÅAromatic
CAMCALsing1.39Å1.40ÅAromatic
CAQCAMdoub1.38Å1.40ÅAromatic
CAMHAMsing1.08Å1.08Å
CAOCANsing1.38Å1.39ÅAromatic
CANFBGsing1.35Å1.35Å
CAPCAOdoub1.39Å1.40ÅAromatic
CAOHAOsing1.08Å1.08Å
NARCAPsing1.40Å1.35Å
CAPCAQsing1.39Å1.40ÅAromatic
CAQHAQsing1.08Å1.08Å
CAUNARsing1.35Å1.34Å
NARHNARsing0.97Å1.00Å
NAYCASsing1.35Å1.34Å
CASOAZdoub1.22Å1.23Å
CASCATsing1.47Å1.39Å
CAXCATdoub1.38Å1.39Å
CATCAUsing1.47Å1.54Å
CAUOAVdoub1.22Å1.23Å
CBINAWsing1.47Å1.49Å
NAYNAWsing1.40Å1.25Å
NAWCAXsing1.35Å1.35Å
CAXCBHsing1.51Å1.54Å
CBANAYsing1.40Å1.34Å
CBCCBAdoub1.39Å1.40ÅAromatic
CBACBBsing1.39Å1.40ÅAromatic
CBECBBdoub1.38Å1.39ÅAromatic
CBBHBBsing1.08Å1.08Å
CBDCBCsing1.38Å1.40ÅAromatic
CBCHBCsing1.08Å1.08Å
CBDCBFdoub1.38Å1.39ÅAromatic
CBDHBDsing1.08Å1.08Å
CBFCBEsing1.38Å1.39ÅAromatic
CBEHBEsing1.08Å1.08Å
CBFHBFsing1.08Å1.08Å
CBHHBHsing1.09Å1.10Å
CBHHBHAsing1.09Å1.10Å
CBHHBHBsing1.09Å1.10Å
CBJCBIsing1.53Å1.53Å
CBIHBIsing1.09Å1.10Å
CBIHBIAsing1.09Å1.10Å
OBLCBJsing1.43Å1.42Å
CBKCBJsing1.53Å1.54Å
CBJHBJsing1.09Å1.10Å
CBKHBKsing1.09Å1.10Å
CBKHBKAsing1.09Å1.10Å
CBKHBKBsing1.09Å1.10Å
OBLHOBLsing0.97Å0.95Å
OBMCBNsing1.43Å1.44Å
CBNHBNsing1.09Å1.10Å
CBNHBNAsing1.09Å1.10Å
CBNHBNBsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAICAACAH120.1°120.7°
CAICAAOBM118.1°119.7°
CAACAICAJ120.1°120.8°
CAACAIHAI119.9°119.6°
CAHCAAOBM121.8°119.6°
CAACAHCAE120.2°119.6°
CAACAHHAH119.9°120.2°
CAAOBMCBN114.5°117.0°
CAGCABCAC119.7°119.8°
CAGCABHAB120.1°120.1°
CABCAGCAF118.3°117.9°
CABCAGOAK123.5°121.1°
CACCABHAB120.1°120.1°
CABCACNAD120.7°121.8°
CABCACHAC119.7°119.1°
NADCACHAC119.6°119.1°
CACNADCAE121.3°121.6°
NADCAECAF120.4°120.0°
NADCAECAH120.1°120.9°
CAFCAECAH119.4°119.1°
CAECAFCAG119.5°118.9°
CAECAFCAJ120.4°119.9°
CAECAHHAH119.9°120.2°
CAGCAFCAJ120.1°121.2°
CAFCAGOAK118.2°121.0°
CAFCAJCAI119.8°119.9°
CAFCAJHAJ120.1°120.1°
CAGOAKCAL118.8°118.0°
CAJCAIHAI120.0°119.7°
CAICAJHAJ120.1°120.1°
OAKCALCAN117.4°120.0°
OAKCALCAM123.0°120.0°
CANCALCAM119.5°120.0°
CALCANCAO120.8°120.0°
CALCANFBG118.3°120.0°
CALCAMCAQ119.5°120.0°
CALCAMHAM120.3°120.0°
CAQCAMHAM120.2°120.0°
CAMCAQCAP121.0°120.0°
CAMCAQHAQ119.5°120.0°
CAOCANFBG120.9°120.0°
CANCAOCAP120.6°120.0°
CANCAOHAO119.7°120.0°
CAPCAOHAO119.7°120.0°
CAOCAPNAR117.2°120.0°
CAOCAPCAQ118.5°120.0°
NARCAPCAQ124.3°120.0°
CAPNARCAU129.2°120.0°
CAPNARHNAR115.4°120.0°
CAPCAQHAQ119.5°120.0°
CAUNARHNAR115.4°120.0°
NARCAUCAT113.9°120.0°
NARCAUOAV124.6°120.0°
NAYCASOAZ126.8°126.7°
NAYCASCAT107.4°106.5°
CASNAYNAW111.0°108.5°
CASNAYCBA123.7°125.7°
OAZCASCAT125.7°126.7°
CASCATCAX104.0°106.5°
CASCATCAU126.3°126.8°
CAXCATCAU129.5°126.8°
CATCAXNAW107.5°108.5°
CATCAXCBH126.4°125.7°
CATCAUOAV121.4°120.0°
CBINAWNAY124.9°125.0°
CBINAWCAX125.1°125.0°
NAWCBICBJ118.3°109.5°
NAWCBIHBI106.6°109.5°
NAWCBIHBIA106.6°109.5°
NAYNAWCAX109.9°110.0°
NAWNAYCBA125.1°125.8°
NAWCAXCBH126.0°125.8°
CAXCBHHBH109.5°109.5°
CAXCBHHBHA109.5°109.4°
CAXCBHHBHB109.5°109.5°
NAYCBACBC123.8°120.1°
NAYCBACBB116.4°120.1°
CBCCBACBB119.8°119.9°
CBACBCCBD119.1°119.9°
CBACBCHBC120.4°120.0°
CBACBBCBE121.0°119.9°
CBACBBHBB119.5°120.1°
CBECBBHBB119.5°120.0°
CBBCBECBF119.0°120.1°
CBBCBEHBE120.5°119.9°
CBDCBCHBC120.4°120.1°
CBCCBDCBF120.9°120.1°
CBCCBDHBD119.5°120.0°
CBFCBDHBD119.6°119.9°
CBDCBFCBE120.1°120.1°
CBDCBFHBF119.9°120.0°
CBFCBEHBE120.5°120.0°
CBECBFHBF119.9°119.9°
HBHCBHHBHA109.5°109.5°
HBHCBHHBHB109.4°109.5°
HBHACBHHBHB109.5°109.5°
CBJCBIHBI106.6°109.5°
CBJCBIHBIA106.6°109.4°
CBICBJOBL110.3°109.5°
CBICBJCBK109.6°109.5°
CBICBJHBJ109.1°109.4°
HBICBIHBIA112.2°109.5°
OBLCBJCBK110.3°109.4°
OBLCBJHBJ108.4°109.5°
CBJOBLHOBL109.5°114.0°
CBKCBJHBJ109.2°109.5°
CBJCBKHBK109.5°109.5°
CBJCBKHBKA109.4°109.5°
CBJCBKHBKB109.5°109.5°
HBKCBKHBKA109.5°109.4°
HBKCBKHBKB109.5°109.5°
HBKACBKHBKB109.5°109.4°
OBMCBNHBN109.5°109.5°
OBMCBNHBNA109.5°109.5°
OBMCBNHBNB109.5°109.5°
HBNCBNHBNA109.5°109.5°
HBNCBNHBNB109.5°109.5°
HBNACBNHBNB109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAICAACAHOBM179.2°179.7°
CAICAACAHCAE0.5°0.3°
CAACAICAJCAF0.3°0.0°
CAICAACAHHAH179.5°179.7°
CAACAICAJHAI180.0°180.0°
CAACAICAJHAJ179.6°179.7°
CAICAAOBMCBN160.8°0.3°
CAACAHCAENAD179.6°180.0°
CAACAHCAECAF0.2°0.0°
CAACAHCAEHAH180.0°180.0°
CAHCAACAICAJ0.8°0.3°
CAHCAACAIHAI179.2°179.7°
CAHCAAOBMCBN20.0°180.0°
OBMCAACAHCAE179.7°180.0°
OBMCAACAHHAH0.3°0.0°
OBMCAACAICAJ180.0°179.9°
OBMCAACAIHAI0.0°0.0°
CAAOBMCBNHBN180.0°60.0°
CAAOBMCBNHBNA60.0°60.0°
CAAOBMCBNHBNB60.0°180.0°
CAGCABCACHAB180.0°179.9°
CAGCABCACNAD0.1°0.0°
CAGCABCACHAC179.8°180.0°
CABCAGCAFCAE0.4°0.0°
CABCAGCAFOAK179.7°179.9°
CABCAGCAFCAJ179.5°179.7°
CABCAGOAKCAL14.8°4.9°
CABCACNADHAC180.0°180.0°
CABCACNADCAE0.6°0.0°
CACCABCAGCAF0.1°0.0°
CACCABCAGOAK179.6°179.9°
HABCABCACNAD179.9°180.0°
HABCABCACHAC0.2°0.0°
HABCABCAGCAF179.9°179.9°
HABCABCAGOAK0.4°0.0°
CACNADCAECAF0.9°0.1°
CACNADCAECAH179.7°180.0°
HACCACNADCAE179.4°179.9°
NADCAECAFCAH179.4°179.9°
NADCAECAFCAG0.8°0.0°
NADCAECAFCAJ180.0°179.7°
NADCAECAHHAH0.4°0.0°
CAECAFCAGCAJ179.1°179.8°
CAECAFCAGOAK179.3°179.9°
CAFCAECAHHAH179.8°180.0°
CAECAFCAJCAI0.4°0.2°
CAECAFCAJHAJ179.6°180.0°
CAHCAECAFCAG179.8°180.0°
CAHCAECAFCAJ0.7°0.2°
CAGCAFCAJCAI179.5°180.0°
CAGCAFCAJHAJ0.5°0.3°
CAFCAGOAKCAL164.9°175.1°
CAJCAFCAGOAK0.2°0.3°
CAFCAJCAIHAJ180.0°179.7°
CAFCAJCAIHAI179.7°180.0°
CAGOAKCALCAN105.2°83.2°
CAGOAKCALCAM76.3°96.4°
HAICAICAJHAJ0.3°0.3°
OAKCALCANCAM178.6°179.7°
OAKCALCAMCAQ179.4°180.0°
OAKCALCAMHAM0.6°0.0°
OAKCALCANCAO179.6°180.0°
OAKCALCANFBG1.3°0.1°
CANCALCAMCAQ0.9°0.3°
CANCALCAMHAM179.1°179.7°
CALCANCAOFBG179.0°179.9°
CALCANCAOCAP1.0°0.1°
CALCANCAOHAO179.0°180.0°
CALCAMCAQHAM180.0°180.0°
CAMCALCANCAO1.0°0.3°
CAMCALCANFBG179.9°179.7°
CALCAMCAQCAP0.9°0.1°
CALCAMCAQHAQ179.2°179.7°
CAMCAQCAPCAO0.9°0.2°
CAMCAQCAPNAR178.3°180.0°
CAMCAQCAPHAQ180.0°179.7°
HAMCAMCAQCAP179.2°180.0°
HAMCAMCAQHAQ0.8°0.3°
CANCAOCAPHAO180.0°179.9°
CANCAOCAPNAR178.5°179.9°
CANCAOCAPCAQ0.9°0.1°
FBGCANCAOCAP179.9°180.0°
FBGCANCAOHAO0.1°0.1°
CAOCAPNARCAQ177.4°179.8°
CAOCAPCAQHAQ179.2°179.9°
CAOCAPNARCAU176.1°35.6°
CAOCAPNARHNAR3.9°144.4°
HAOCAOCAPNAR1.5°0.1°
HAOCAOCAPCAQ179.1°179.7°
NARCAPCAQHAQ1.8°0.3°
CAPNARCAUHNAR180.0°180.0°
CAPNARCAUCAT177.3°175.6°
CAPNARCAUOAV0.7°4.4°
CAQCAPNARCAU6.4°144.6°
CAQCAPNARHNAR173.6°35.4°
NARCAUCATCAS6.6°0.0°
NARCAUCATCAX169.8°180.0°
NARCAUCATOAV176.7°179.9°
HNARNARCAUCAT2.7°4.4°
HNARNARCAUOAV179.3°175.7°
NAYCASOAZCAT177.7°179.6°
NAYCASCATCAX1.8°0.3°
NAYCASCATCAU179.0°179.8°
CASNAYNAWCBI177.2°179.8°
CASNAYNAWCBA176.4°179.8°
CASNAYNAWCAX0.2°0.4°
CASNAYCBACBC83.9°49.1°
CASNAYCBACBB95.8°130.6°
OAZCASCATCAX179.9°179.9°
OAZCASCATCAU3.0°0.1°
OAZCASNAYNAW179.1°180.0°
OAZCASNAYCBA4.4°0.1°
CASCATCAXCAU177.1°179.9°
CASCATCAUOAV176.6°180.0°
CATCASNAYNAW1.1°0.4°
CASCATCAXNAW1.9°0.1°
CASCATCAXCBH179.7°179.7°
CATCASNAYCBA177.6°179.8°
CAXCATCAUOAV6.9°0.1°
CATCAXNAWCBI178.4°180.0°
CATCAXNAWNAY1.3°0.2°
CATCAXNAWCBH178.4°179.8°
CATCAXCBHHBH180.0°89.7°
CATCAXCBHHBHA60.0°30.2°
CATCAXCBHHBHB60.0°150.2°
CAUCATCAXNAW179.0°180.0°
CAUCATCAXCBH2.7°0.2°
CBINAWNAYCAX177.0°179.8°
CBINAWCAXCBH3.2°0.2°
CBINAWNAYCBA0.8°0.0°
NAWCBICBJHBI120.0°120.0°
NAWCBICBJHBIA120.0°120.0°
NAWCBIHBIHBIA116.4°120.0°
NAWCBICBJOBL62.6°60.0°
NAWCBICBJCBK175.8°180.0°
NAWCBICBJHBJ56.3°60.0°
NAYNAWCAXCBH179.7°180.0°
NAWNAYCBACBC100.2°130.7°
NAWNAYCBACBB80.2°49.6°
NAYNAWCBICBJ99.0°90.6°
NAYNAWCBIHBI141.0°149.4°
NAYNAWCBIHBIA21.0°29.4°
CAXNAWNAYCBA176.3°179.8°
NAWCAXCBHHBH1.9°90.0°
NAWCAXCBHHBHA118.1°150.0°
NAWCAXCBHHBHB121.9°30.0°
CAXNAWCBICBJ84.4°89.6°
CAXNAWCBIHBI35.6°30.4°
CAXNAWCBIHBIA155.6°150.4°
CAXCBHHBHHBHA120.0°120.0°
CAXCBHHBHHBHB120.0°120.0°
CAXCBHHBHAHBHB120.0°120.0°
NAYCBACBCCBB179.6°179.8°
NAYCBACBBCBE180.0°180.0°
NAYCBACBBHBB0.0°0.0°
NAYCBACBCCBD180.0°180.0°
NAYCBACBCHBC0.0°0.0°
CBCCBACBBCBE0.4°0.2°
CBCCBACBBHBB179.6°179.8°
CBACBCCBDHBC180.0°179.9°
CBACBCCBDCBF0.2°0.0°
CBACBCCBDHBD179.8°179.9°
CBACBBCBEHBB180.0°180.0°
CBBCBACBCCBD0.4°0.2°
CBBCBACBCHBC179.6°179.7°
CBACBBCBECBF0.2°0.0°
CBACBBCBEHBE179.8°180.0°
CBBCBECBFCBD0.0°0.2°
CBBCBECBFHBE180.0°180.0°
CBBCBECBFHBF180.0°180.0°
HBBCBBCBECBF179.8°180.0°
HBBCBBCBEHBE0.2°0.0°
CBCCBDCBFHBD180.0°180.0°
CBCCBDCBFCBE0.0°0.3°
CBCCBDCBFHBF180.0°180.0°
HBCCBCCBDCBF179.8°180.0°
HBCCBCCBDHBD0.2°0.0°
CBDCBFCBEHBF180.0°179.7°
CBDCBFCBEHBE180.0°179.7°
HBDCBDCBFCBE180.0°179.7°
HBDCBDCBFHBF0.0°0.0°
HBECBECBFHBF0.1°0.0°
HBHCBHHBHAHBHB120.0°120.0°
CBJCBIHBIHBIA116.4°120.0°
CBICBJOBLCBK121.2°120.0°
CBICBJOBLHBJ119.4°120.0°
CBICBJCBKHBJ119.4°120.0°
CBICBJCBKHBK180.0°60.0°
CBICBJCBKHBKA60.0°180.0°
CBICBJCBKHBKB60.0°60.0°
CBICBJOBLHOBL180.0°180.0°
HBICBICBJOBL177.4°180.0°
HBICBICBJCBK55.8°60.0°
HBICBICBJHBJ63.7°60.0°
HBIACBICBJOBL57.4°60.0°
HBIACBICBJCBK64.2°60.0°
HBIACBICBJHBJ176.3°180.0°
OBLCBJCBKHBJ119.0°120.0°
OBLCBJCBKHBK58.4°60.0°
OBLCBJCBKHBKA178.4°60.0°
OBLCBJCBKHBKB61.6°180.0°
CBJCBKHBKHBKA120.0°120.0°
CBJCBKHBKHBKB120.0°120.0°
CBJCBKHBKAHBKB120.0°120.0°
CBKCBJOBLHOBL58.8°60.0°
HBJCBJCBKHBK60.6°180.0°
HBJCBJCBKHBKA59.4°60.0°
HBJCBJCBKHBKB179.4°60.0°
HBJCBJOBLHOBL60.6°60.0°
HBKCBKHBKAHBKB120.0°120.0°
OBMCBNHBNHBNA120.0°120.0°
OBMCBNHBNHBNB120.0°120.0°
OBMCBNHBNAHBNB120.0°120.0°
HBNCBNHBNAHBNB120.0°120.0°

223532

PDB entries from 2024-08-07

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