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N78

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBLCBKsing1.53Å1.53Å
CBFCBGdoub1.39Å1.39ÅAromatic
CBFCBEsing1.38Å1.39ÅAromatic
CBGCBBsing1.39Å1.34ÅAromatic
CBKCBJsing1.51Å1.56Å
CBECBDdoub1.39Å1.39ÅAromatic
OBQCBJdoub1.21Å1.23Å
CBJNAEsing1.35Å1.35Å
CBBCBCsing1.48Å1.35Å
CBBCBAdoub1.41Å1.35ÅAromatic
OBOCBCdoub1.21Å1.24Å
CBDCBAsing1.39Å1.34ÅAromatic
CBCNAFsing1.34Å1.34Å
CBACAZsing1.48Å1.36Å
NAECAUsing1.40Å1.38Å
CATCAUdoub1.39Å1.40ÅAromatic
CATCAMsing1.39Å1.41ÅAromatic
CAOCAPdoub1.38Å1.41ÅAromatic
CAOCANsing1.39Å1.41ÅAromatic
CAPCAQsing1.38Å1.41ÅAromatic
CAUCAVsing1.39Å1.41ÅAromatic
OBPCBIsing1.43Å1.44Å
NAFCAZsing1.35Å1.33Å
NAFCAYsing1.47Å1.48Å
CAZOBNdoub1.21Å1.23Å
N3C2doub1.32Å1.36ÅAromatic
N3C4sing1.33Å1.36ÅAromatic
NACC4sing1.37Å1.32ÅAromatic
NACCAKsing1.37Å1.36ÅAromatic
C2N1sing1.32Å1.38ÅAromatic
C4C5doub1.41Å1.39ÅAromatic
N1C6doub1.33Å1.35ÅAromatic
CAKCALdoub1.35Å1.35ÅAromatic
C5C6sing1.40Å1.38ÅAromatic
C5CALsing1.47Å1.38ÅAromatic
C6NADsing1.38Å1.38Å
CALCAMsing1.48Å1.40Å
NADCANsing1.40Å1.38Å
CAMCAXdoub1.39Å1.43ÅAromatic
CANCASdoub1.39Å1.41ÅAromatic
CAQCAYsing1.51Å1.43Å
CAQCARdoub1.38Å1.40ÅAromatic
CAVOBMsing1.36Å1.39Å
CAVCAWdoub1.39Å1.39ÅAromatic
CBICBHsing1.53Å1.53Å
CBHOBMsing1.43Å1.43Å
CASCARsing1.38Å1.41ÅAromatic
CAXCAWsing1.38Å1.41ÅAromatic
C2H1sing1.08Å1.08Å
CAKH2sing1.08Å1.08Å
CAOH3sing1.08Å1.08Å
CAPH4sing1.08Å1.08Å
CARH5sing1.08Å1.08Å
CASH6sing1.08Å1.08Å
CATH7sing1.08Å1.08Å
CAWH8sing1.08Å1.08Å
CAXH9sing1.08Å1.08Å
CAYH10sing1.09Å1.10Å
CAYH11sing1.09Å1.10Å
CBDH12sing1.08Å1.08Å
CBEH13sing1.08Å1.08Å
CBFH14sing1.08Å1.08Å
CBGH15sing1.08Å1.08Å
CBHH16sing1.09Å1.10Å
CBHH17sing1.09Å1.10Å
CBIH18sing1.09Å1.10Å
CBIH19sing1.09Å1.10Å
CBKH20sing1.09Å1.10Å
CBKH21sing1.09Å1.10Å
CBLH22sing1.09Å1.10Å
CBLH23sing1.09Å1.10Å
CBLH24sing1.09Å1.10Å
NACH25sing0.97Å1.00Å
NADH26sing0.97Å1.00Å
NAEH27sing0.97Å1.00Å
OBPH28sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBLCBKCBJ110.6°109.5°
CBLCBKH20109.2°109.5°
CBLCBKH21109.2°109.5°
CBKCBLH22109.5°109.5°
CBKCBLH23109.5°109.5°
CBKCBLH24109.5°109.5°
CBGCBFCBE117.9°120.4°
CBFCBGCBB121.5°119.8°
CBGCBFH14121.1°119.8°
CBFCBGH15119.3°120.1°
CBFCBECBD118.7°120.4°
CBFCBEH13120.7°119.8°
CBECBFH14121.0°119.8°
CBGCBBCBC132.1°134.4°
CBGCBBCBA120.6°119.8°
CBBCBGH15119.2°120.1°
CBKCBJOBQ118.0°120.0°
CBKCBJNAE117.0°120.0°
CBJCBKH20109.2°109.5°
CBJCBKH21109.2°109.5°
CBECBDCBA121.0°119.7°
CBECBDH12119.5°120.1°
CBDCBEH13120.6°119.8°
OBQCBJNAE125.0°120.0°
CBJNAECAU117.3°120.0°
CBJNAEH27121.3°120.0°
CBCCBBCBA107.2°105.8°
CBBCBCOBO124.0°125.7°
CBBCBCNAF110.7°108.6°
CBBCBACBD120.3°119.8°
CBBCBACAZ106.0°105.9°
OBOCBCNAF125.3°125.7°
CBDCBACAZ133.7°134.3°
CBACBDH12119.5°120.2°
CBCNAFCAZ104.8°111.1°
CBCNAFCAY129.2°124.5°
CBACAZNAF111.2°108.5°
CBACAZOBN126.2°125.7°
NAECAUCAT121.1°120.0°
NAECAUCAV117.9°120.1°
CAUNAEH27121.3°120.0°
CAUCATCAM120.6°119.9°
CATCAUCAV121.0°119.9°
CAUCATH7119.7°120.0°
CATCAMCAL122.7°120.0°
CATCAMCAX116.4°119.9°
CAMCATH7119.7°120.1°
CAPCAOCAN121.3°119.9°
CAOCAPCAQ120.3°120.1°
CAPCAOH3119.3°120.0°
CAOCAPH4119.8°120.0°
CAOCANNAD120.5°120.1°
CAOCANCAS118.2°119.9°
CANCAOH3119.4°120.1°
CAPCAQCAY121.3°119.9°
CAPCAQCAR118.4°120.1°
CAQCAPH4119.9°119.9°
CAUCAVOBM118.7°119.9°
CAUCAVCAW120.5°120.1°
OBPCBICBH108.0°109.5°
OBPCBIH18109.8°109.5°
OBPCBIH19109.9°109.4°
CBIOBPH28109.5°114.0°
CAZNAFCAY125.9°124.4°
NAFCAZOBN122.6°125.8°
NAFCAYCAQ112.2°109.5°
NAFCAYH10108.8°109.5°
NAFCAYH11108.8°109.5°
C2N3C4120.0°120.7°
N3C2N1120.0°122.7°
N3C2H1120.0°118.7°
N3C4NAC128.7°134.1°
N3C4C5121.4°118.5°
C4NACCAK108.1°110.3°
NACC4C5109.9°107.4°
C4NACH25126.0°124.8°
NACCAKCAL108.4°109.6°
NACCAKH2125.8°125.1°
CAKNACH25126.0°124.9°
C2N1C6119.4°121.0°
N1C2H1120.0°118.6°
C4C5C6116.8°118.8°
C4C5CAL105.2°106.2°
N1C6C5122.3°118.3°
N1C6NAD116.0°120.8°
CAKCALC5108.4°106.5°
CAKCALCAM118.4°126.7°
CALCAKH2125.8°125.2°
C6C5CAL137.9°135.0°
C5C6NAD121.7°120.9°
C5CALCAM133.1°126.7°
C6NADCAN123.4°120.0°
C6NADH26118.3°120.0°
CALCAMCAX120.8°120.1°
NADCANCAS121.1°120.0°
CANNADH26118.3°120.0°
CAMCAXCAW123.5°120.1°
CAMCAXH9118.2°120.0°
CANCASCAR120.4°119.9°
CANCASH6119.8°120.0°
CAYCAQCAR120.3°120.0°
CAQCAYH10108.8°109.5°
CAQCAYH11108.8°109.5°
CAQCARCAS121.4°120.1°
CAQCARH5119.3°119.9°
OBMCAVCAW120.7°119.9°
CAVOBMCBH112.9°117.0°
CAVCAWCAX117.9°120.1°
CAVCAWH8121.1°120.0°
CBICBHOBM107.6°109.5°
CBICBHH16110.0°109.5°
CBICBHH17109.9°109.4°
CBHCBIH18109.8°109.5°
CBHCBIH19109.8°109.5°
OBMCBHH16110.0°109.5°
OBMCBHH17110.0°109.5°
CASCARH5119.3°120.0°
CARCASH6119.8°120.0°
CAXCAWH8121.1°119.9°
CAWCAXH9118.3°120.0°
H10CAYH11109.5°109.5°
H16CBHH17109.5°109.5°
H18CBIH19109.5°109.4°
H20CBKH21109.5°109.5°
H22CBLH23109.5°109.5°
H22CBLH24109.4°109.5°
H23CBLH24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBLCBKCBJH20120.2°120.0°
CBLCBKCBJH21120.2°120.0°
CBLCBKCBJOBQ49.2°0.0°
CBLCBKCBJNAE130.6°180.0°
CBLCBKH20H21119.5°120.0°
CBKCBLH22H23120.0°120.0°
CBKCBLH22H24120.0°120.0°
CBKCBLH23H24120.0°120.0°
CBGCBFCBEH14180.0°179.6°
CBFCBGCBBH15180.0°179.6°
CBGCBFCBECBD0.2°0.2°
CBFCBGCBBCBC179.0°179.9°
CBFCBGCBBCBA0.3°0.4°
CBGCBFCBEH13179.8°179.8°
CBECBFCBGCBB0.4°0.4°
CBFCBECBDH13180.0°180.0°
CBFCBECBDCBA0.0°0.0°
CBFCBECBDH12180.0°179.9°
CBECBFCBGH15179.6°180.0°
CBGCBBCBCCBA178.8°179.8°
CBGCBBCBCOBO2.1°0.2°
CBGCBBCBACBD0.1°0.2°
CBGCBBCBCNAF180.0°180.0°
CBGCBBCBACAZ179.7°179.8°
CBBCBGCBFH14179.6°180.0°
CBKCBJOBQNAE179.7°180.0°
CBKCBJNAECAU179.2°174.7°
CBJCBKH20H21119.5°120.0°
CBJCBKCBLH22180.0°180.0°
CBJCBKCBLH2360.0°60.0°
CBJCBKCBLH2460.0°60.0°
CBKCBJNAEH270.8°5.3°
CBECBDCBACBB0.1°0.0°
CBECBDCBAH12180.0°179.9°
CBECBDCBACAZ179.7°180.0°
CBDCBECBFH14179.8°179.8°
OBQCBJNAECAU1.1°5.3°
OBQCBJCBKH20169.4°120.0°
OBQCBJCBKH2171.0°120.0°
OBQCBJNAEH27178.9°174.7°
CBJNAECAUH27180.0°180.0°
CBJNAECAUCAT93.9°24.2°
CBJNAECAUCAV86.0°155.8°
NAECBJCBKH2010.4°60.0°
NAECBJCBKH21109.3°60.0°
CBBCBCOBONAF177.7°179.7°
CBCCBBCBACBD179.0°180.0°
CBCCBBCBACAZ0.7°0.0°
CBBCBCNAFCAZ1.2°0.4°
CBBCBCNAFCAY178.9°180.0°
CBCCBBCBGH151.0°0.3°
CBACBBCBCOBO179.2°180.0°
CBBCBACBDCAZ179.6°179.9°
CBACBBCBCNAF1.2°0.3°
CBBCBACAZNAF0.0°0.2°
CBBCBACAZOBN179.9°180.0°
CBBCBACBDH12179.9°179.9°
CBACBBCBGH15179.7°180.0°
OBOCBCNAFCAZ179.1°179.8°
OBOCBCNAFCAY3.1°0.2°
CBDCBACAZNAF179.7°179.7°
CBDCBACAZOBN0.2°0.0°
CBACBDCBEH13180.0°180.0°
CBCNAFCAZCBA0.7°0.4°
CBCNAFCAZCAY177.9°179.6°
CBCNAFCAZOBN179.2°179.9°
CBCNAFCAYCAQ85.6°90.0°
CBCNAFCAYH1034.8°30.0°
CBCNAFCAYH11154.0°150.0°
CBACAZNAFOBN179.9°179.7°
CBACAZNAFCAY178.6°180.0°
CAZCBACBDH120.3°0.1°
NAECAUCATCAV179.9°179.9°
NAECAUCATCAM177.4°179.9°
NAECAUCAVOBM3.3°0.0°
NAECAUCAVCAW179.9°179.9°
NAECAUCATH72.6°0.0°
CAUCATCAMH7180.0°179.9°
CAUCATCAMCAL179.8°179.9°
CAUCATCAMCAX3.1°0.3°
CATCAUCAVOBM176.8°179.9°
CATCAUCAVCAW0.1°0.0°
CATCAUNAEH2786.1°155.9°
CAMCATCAUCAV2.4°0.0°
CATCAMCALCAK50.3°49.8°
CATCAMCALC5134.3°130.3°
CATCAMCALCAX176.5°179.7°
CATCAMCAXCAW1.5°0.6°
CATCAMCAXH9178.5°179.7°
CAPCAOCANH3180.0°180.0°
CAOCAPCAQH4180.0°179.9°
CAPCAOCANNAD177.4°179.7°
CAPCAOCANCAS2.9°0.0°
CAOCAPCAQCAY179.6°180.0°
CAOCAPCAQCAR1.4°0.1°
CANCAOCAPCAQ0.6°0.1°
CAOCANNADC6135.6°152.9°
CAOCANNADCAS174.4°179.7°
CAOCANCASCAR3.2°0.1°
CANCAOCAPH4179.4°180.0°
CAOCANCASH6176.8°180.0°
CAOCANNADH2644.4°27.1°
CAPCAQCAYNAF80.4°90.0°
CAPCAQCAYCAR178.1°180.0°
CAPCAQCARCAS1.1°0.0°
CAQCAPCAOH3179.4°179.9°
CAPCAQCARH5178.9°180.0°
CAPCAQCAYH1040.0°150.0°
CAPCAQCAYH11159.1°30.0°
CAUCAVOBMCAW176.7°179.9°
CAUCAVOBMCBH125.3°180.0°
CAUCAVCAWCAX1.7°0.3°
CAVCAUCATH7177.6°179.9°
CAUCAVCAWH8178.3°180.0°
CAVCAUNAEH2794.0°24.2°
OBPCBICBHH18119.8°120.0°
OBPCBICBHH19119.8°120.0°
OBPCBICBHOBM54.0°65.0°
OBPCBICBHH16173.7°175.0°
OBPCBICBHH1765.7°55.0°
OBPCBIH18H19120.7°119.9°
CAZNAFCAYCAQ91.7°90.5°
CAZNAFCAYH10147.9°149.5°
CAZNAFCAYH1128.7°29.5°
CAYNAFCAZOBN1.3°0.3°
NAFCAYCAQH10120.4°120.0°
NAFCAYCAQH11120.4°120.0°
NAFCAYCAQCAR101.4°90.0°
NAFCAYH10H11118.8°120.0°
C2N3C4NAC179.3°179.7°
N3C2N1H1180.0°180.0°
C2N3C4C50.0°0.0°
N3C2N1C61.1°0.0°
N3C4NACC5179.4°179.7°
N3C4NACCAK179.6°179.9°
C4N3C2N11.2°0.0°
N3C4C5C61.2°0.0°
N3C4C5CAL179.4°180.0°
C4N3C2H1178.8°180.0°
N3C4NACH250.4°0.3°
C4NACCAKH25180.0°179.6°
C4NACCAKCAL0.7°0.4°
NACC4C5C6179.3°179.7°
NACC4C5CAL1.1°0.2°
C4NACCAKH2179.2°179.8°
CAKNACC4C50.3°0.4°
NACCAKCALH2180.0°179.7°
NACCAKCALC51.5°0.3°
NACCAKCALCAM177.9°179.8°
C2N1C6C50.1°0.0°
C2N1C6NAD177.9°180.0°
C4C5C6N11.3°0.0°
C4C5CALCAK1.6°0.0°
C4C5C6CAL177.4°180.0°
C4C5C6NAD176.6°179.9°
C4C5CALCAM177.2°180.0°
C5C4NACH25179.7°180.0°
N1C6C5NAD177.9°180.0°
N1C6C5CAL178.7°180.0°
N1C6NADCAN6.7°6.6°
C6N1C2H1178.9°180.0°
N1C6NADH26173.3°173.4°
CAKCALC5C6179.2°180.0°
CAKCALC5CAM175.7°180.0°
CAKCALCAMCAX126.2°129.9°
CALCAKNACH25179.3°180.0°
C6C5CALCAM5.2°0.1°
C5C6NADCAN175.3°173.4°
C5C6NADH264.7°6.5°
CALC5C6NAD0.8°0.0°
C5CALCAMCAX49.1°50.0°
C5CALCAKH2178.5°180.0°
C6NADCANH26180.0°179.9°
C6NADCANCAS50.0°27.3°
CALCAMCAXCAW178.3°179.7°
CAMCALCAKH22.1°0.1°
CALCAMCATH70.2°0.1°
CALCAMCAXH91.7°0.1°
NADCANCASCAR177.7°179.8°
NADCANCAOH32.6°0.2°
NADCANCASH62.3°0.3°
CAMCAXCAWCAV0.9°0.6°
CAMCAXCAWH9180.0°179.7°
CAXCAMCATH7176.9°179.8°
CAMCAXCAWH8179.1°179.7°
CANCASCARCAQ1.3°0.1°
CANCASCARH6180.0°179.9°
CASCANCAOH3177.1°180.0°
CANCASCARH5178.7°180.0°
CASCANNADH26130.0°152.6°
CAYCAQCARCAS179.2°179.9°
CAYCAQCAPH40.4°0.1°
CAYCAQCARH50.8°0.0°
CAQCAYH10H11118.7°120.0°
CAQCARCASH5180.0°179.9°
CARCAQCAPH4178.6°179.9°
CAQCARCASH6178.7°180.0°
CARCAQCAYH10138.1°30.0°
CARCAQCAYH1119.0°150.0°
CAVOBMCBHCBI170.6°179.9°
OBMCAVCAWCAX178.4°179.7°
OBMCAVCAWH81.7°0.0°
CAVOBMCBHH1669.7°60.0°
CAVOBMCBHH1750.9°60.0°
CAWCAVOBMCBH57.9°0.0°
CAVCAWCAXH8180.0°179.7°
CAVCAWCAXH9179.1°179.7°
CBICBHOBMH16119.7°120.0°
CBICBHOBMH17119.7°120.0°
CBICBHH16H17120.8°120.0°
CBHCBIH18H19120.7°120.0°
CBHCBIOBPH28180.0°180.0°
OBMCBHH16H17120.9°120.0°
OBMCBHCBIH1865.8°175.0°
OBMCBHCBIH19173.8°55.0°
H2CAKNACH250.8°0.2°
H3CAOCAPH40.6°0.1°
H5CARCASH61.3°0.1°
H8CAWCAXH90.8°0.0°
H12CBDCBEH130.0°0.1°
H13CBECBFH140.2°0.2°
H14CBFCBGH150.4°0.4°
H16CBHCBIH1854.0°54.9°
H16CBHCBIH1966.5°65.0°
H17CBHCBIH18174.5°65.0°
H17CBHCBIH1954.1°175.0°
H18CBIOBPH2860.2°60.0°
H19CBIOBPH2860.2°59.9°
H20CBKCBLH2259.9°60.0°
H20CBKCBLH2360.1°180.0°
H20CBKCBLH24179.9°60.0°
H21CBKCBLH2259.8°60.0°
H21CBKCBLH23179.8°60.0°
H21CBKCBLH2460.2°180.0°
H22CBLH23H24120.0°120.0°

224931

PDB entries from 2024-09-11

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