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Q4J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBICBJsing1.40Å1.32ÅAromatic
CBINBHdoub1.31Å1.30ÅAromatic
FBLCBJsing1.35Å1.30Å
CBJCBKdoub1.35Å1.33ÅAromatic
NBHNBGsing1.40Å1.25ÅAromatic
NBGCBKsing1.36Å1.33ÅAromatic
NBGCBDsing1.40Å1.34Å
CBDCBCdoub1.39Å1.39ÅAromatic
CBDNBEsing1.32Å1.34ÅAromatic
CBCCBBsing1.38Å1.38ÅAromatic
NBECBFdoub1.32Å1.40ÅAromatic
CBBCAZdoub1.39Å1.39ÅAromatic
CBFCAZsing1.38Å1.37ÅAromatic
CAZCAYsing1.51Å1.38Å
CAYCBAsing1.53Å1.55Å
CAYNAWsing1.46Å1.51Å
OAXCATdoub1.21Å1.22Å
NAWCATsing1.35Å1.31Å
CATCAQsing1.51Å1.51Å
CARCAQsing1.53Å1.55Å
CARCASsing1.53Å1.54Å
CAQCAPsing1.53Å1.56Å
CAQOAUsing1.43Å1.41Å
CASCANsing1.53Å1.51Å
CAPCAOsing1.53Å1.56Å
CAOCANsing1.53Å1.46Å
OAUCAVsing1.43Å1.42Å
CANC2sing1.51Å1.45Å
C2N3doub1.32Å1.35ÅAromatic
C2N1sing1.32Å1.33ÅAromatic
N3C4sing1.33Å1.36ÅAromatic
CBMCABsing1.51Å1.50Å
N1C6doub1.33Å1.34ÅAromatic
CAACABdoub1.35Å1.35ÅAromatic
CAACAEsing1.40Å1.36ÅAromatic
C4CAMsing1.51Å1.43Å
C4C5doub1.38Å1.38ÅAromatic
CABNACsing1.35Å1.31ÅAromatic
C6C5sing1.40Å1.39ÅAromatic
C6NAFsing1.39Å1.32Å
CAENAFsing1.40Å1.37Å
CAENADdoub1.31Å1.34ÅAromatic
NACNADsing1.40Å1.33ÅAromatic
CAAH1sing1.08Å1.08Å
CBAH2sing1.09Å1.10Å
CBAH3sing1.09Å1.10Å
CBAH4sing1.09Å1.10Å
CBBH5sing1.08Å1.08Å
CBCH6sing1.08Å1.08Å
CBMH7sing1.09Å1.10Å
CBMH8sing1.09Å1.10Å
CBMH9sing1.09Å1.10Å
NACH10sing0.97Å1.00Å
NAFH11sing0.97Å1.00Å
C5H12sing1.08Å1.08Å
CAMH13sing1.09Å1.10Å
CAMH14sing1.09Å1.10Å
CAMH15sing1.09Å1.10Å
CANH16sing1.09Å1.10Å
CASH17sing1.09Å1.10Å
CASH18sing1.09Å1.10Å
CARH19sing1.09Å1.10Å
CARH20sing1.09Å1.10Å
CAOH21sing1.09Å1.10Å
CAOH22sing1.09Å1.10Å
CAPH23sing1.09Å1.10Å
CAPH24sing1.09Å1.10Å
CAVH25sing1.09Å1.10Å
CAVH26sing1.09Å1.10Å
CAVH27sing1.09Å1.10Å
NAWH28sing0.97Å1.00Å
CAYH29sing1.09Å1.10Å
CBFH30sing1.08Å1.08Å
CBIH31sing1.08Å1.08Å
CBKH32sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBJCBINBH104.9°108.3°
CBICBJFBL124.2°126.0°
CBICBJCBK109.1°108.0°
CBJCBIH31127.5°125.8°
CBINBHNBG112.1°108.3°
NBHCBIH31127.5°125.9°
FBLCBJCBK126.7°126.0°
CBJCBKNBG105.8°107.5°
CBJCBKH32127.1°126.3°
NBHNBGCBK108.0°107.8°
NBHNBGCBD125.3°126.1°
CBKNBGCBD126.0°126.1°
NBGCBKH32127.1°126.2°
NBGCBDCBC120.1°119.7°
NBGCBDNBE120.6°119.7°
CBCCBDNBE119.1°120.6°
CBDCBCCBB119.6°119.1°
CBDCBCH6120.2°120.4°
CBDNBECBF122.0°121.6°
CBCCBBCAZ121.3°118.5°
CBCCBBH5119.3°120.8°
CBBCBCH6120.2°120.4°
NBECBFCAZ119.6°120.8°
NBECBFH30120.2°119.6°
CBBCAZCBF118.3°119.3°
CBBCAZCAY124.8°120.4°
CAZCBBH5119.3°120.8°
CBFCAZCAY116.9°120.3°
CAZCBFH30120.1°119.6°
CAZCAYCBA114.8°109.5°
CAZCAYNAW108.3°109.5°
CAZCAYH29108.7°109.4°
CBACAYNAW111.0°109.5°
CAYCBAH2109.5°109.4°
CAYCBAH3109.5°109.5°
CAYCBAH4109.5°109.5°
CBACAYH29106.7°109.4°
CAYNAWCAT119.3°120.0°
CAYNAWH28120.3°120.0°
NAWCAYH29107.0°109.5°
OAXCATNAW121.8°120.0°
OAXCATCAQ120.4°120.0°
NAWCATCAQ116.7°120.0°
CATNAWH28120.4°120.0°
CATCAQCAR103.3°109.5°
CATCAQCAP114.2°109.5°
CATCAQOAU110.4°109.4°
CAQCARCAS112.8°109.5°
CARCAQCAP109.1°109.5°
CARCAQOAU108.2°109.5°
CAQCARH19108.7°109.5°
CAQCARH20108.6°109.5°
CARCASCAN112.0°109.4°
CARCASH17108.9°109.5°
CARCASH18108.8°109.5°
CASCARH19108.6°109.5°
CASCARH20108.6°109.5°
CAPCAQOAU111.2°109.5°
CAQCAPCAO112.3°109.4°
CAQCAPH23108.7°109.5°
CAQCAPH24108.7°109.4°
CAQOAUCAV120.7°114.0°
CASCANCAO113.2°109.5°
CASCANC2118.3°109.4°
CASCANH16101.2°109.5°
CANCASH17108.9°109.5°
CANCASH18108.9°109.4°
CAPCAOCAN113.4°109.5°
CAPCAOH21108.5°109.5°
CAPCAOH22108.5°109.5°
CAOCAPH23108.8°109.5°
CAOCAPH24108.7°109.5°
CAOCANC2117.0°109.5°
CAOCANH16101.5°109.5°
CANCAOH21108.5°109.5°
CANCAOH22108.5°109.5°
OAUCAVH25109.5°109.4°
OAUCAVH26109.5°109.5°
OAUCAVH27109.5°109.5°
CANC2N3127.5°119.1°
CANC2N1111.9°119.0°
C2CANH16101.6°109.4°
N3C2N1119.4°121.9°
C2N3C4119.7°121.0°
C2N1C6123.9°120.6°
N3C4CAM120.8°120.4°
N3C4C5120.1°119.2°
CBMCABCAA129.0°126.1°
CBMCABNAC120.1°126.0°
CABCBMH7109.5°109.4°
CABCBMH8109.5°109.5°
CABCBMH9109.5°109.4°
N1C6C5117.2°119.0°
N1C6NAF121.5°120.5°
CABCAACAE106.3°107.8°
CAACABNAC110.8°107.9°
CABCAAH1126.8°126.0°
CAACAENAF134.5°125.9°
CAACAENAD106.0°108.1°
CAECAAH1126.8°126.1°
CAMC4C5119.0°120.4°
C4CAMH13109.5°109.5°
C4CAMH14109.5°109.5°
C4CAMH15109.5°109.4°
C4C5C6119.5°118.3°
C4C5H12120.3°120.8°
CABNACNAD106.1°108.0°
CABNACH10127.0°126.0°
C5C6NAF121.3°120.5°
C6C5H12120.3°120.8°
C6NAFCAE126.9°120.0°
C6NAFH11116.5°120.0°
NAFCAENAD119.5°126.0°
CAENAFH11116.6°120.0°
CAENADNAC110.8°108.2°
NADNACH10127.0°126.0°
H2CBAH3109.4°109.5°
H2CBAH4109.5°109.4°
H3CBAH4109.5°109.5°
H7CBMH8109.4°109.5°
H7CBMH9109.5°109.5°
H8CBMH9109.4°109.5°
H13CAMH14109.5°109.5°
H13CAMH15109.5°109.5°
H14CAMH15109.5°109.5°
H17CASH18109.4°109.5°
H19CARH20109.5°109.4°
H21CAOH22109.5°109.4°
H23CAPH24109.5°109.5°
H25CAVH26109.4°109.4°
H25CAVH27109.4°109.5°
H26CAVH27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBJCBINBHH31180.0°180.0°
CBICBJFBLCBK179.6°179.9°
CBJCBINBHNBG0.3°0.0°
CBICBJCBKNBG3.4°0.0°
CBICBJCBKH32176.6°179.7°
NBHCBICBJFBL178.4°180.0°
NBHCBICBJCBK2.0°0.0°
CBINBHNBGCBK2.4°0.0°
CBINBHNBGCBD172.8°179.7°
FBLCBJCBKNBG176.9°180.0°
FBLCBJCBIH311.6°0.1°
FBLCBJCBKH323.1°0.3°
CBJCBKNBGNBH3.5°0.0°
CBJCBKNBGH32180.0°179.7°
CBJCBKNBGCBD173.8°179.7°
CBKCBJCBIH31178.0°180.0°
NBHNBGCBKCBD170.2°179.7°
NBHNBGCBDCBC4.1°0.3°
NBHNBGCBDNBE179.2°179.7°
NBGNBHCBIH31179.7°180.0°
NBHNBGCBKH32176.5°179.7°
CBKNBGCBDCBC164.5°180.0°
CBKNBGCBDNBE10.6°0.0°
NBGCBDCBCNBE175.1°180.0°
NBGCBDCBCCBB176.8°180.0°
NBGCBDNBECBF176.6°179.7°
NBGCBDCBCH63.2°0.0°
CBDNBGCBKH326.2°0.0°
CBDCBCCBBH6180.0°180.0°
CBCCBDNBECBF1.5°0.3°
CBDCBCCBBCAZ2.5°0.0°
CBDCBCCBBH5177.5°179.7°
NBECBDCBCCBB1.7°0.0°
CBDNBECBFCAZ2.1°0.6°
NBECBDCBCH6178.3°180.0°
CBDNBECBFH30177.9°180.0°
CBCCBBCAZH5180.0°179.7°
CBCCBBCAZCBF3.0°0.3°
CBCCBBCAZCAY179.9°179.8°
NBECBFCAZCBB2.7°0.6°
NBECBFCAZH30180.0°179.4°
NBECBFCAZCAY180.0°179.5°
CBBCAZCBFCAY177.3°180.0°
CBBCAZCAYCBA1.5°100.0°
CBBCAZCAYNAW126.1°140.0°
CAZCBBCBCH6177.5°180.0°
CBBCAZCAYH29117.9°20.0°
CBBCAZCBFH30177.3°180.0°
CBFCAZCAYCBA178.6°80.1°
CBFCAZCAYNAW56.7°40.0°
CBFCAZCBBH5177.0°179.9°
CBFCAZCAYH2959.3°160.0°
CAZCAYCBANAW123.2°120.1°
CAZCAYCBAH29120.5°119.9°
CAZCAYNAWH29117.1°120.0°
CAZCAYNAWCAT152.4°155.0°
CAZCAYCBAH2180.0°60.1°
CAZCAYCBAH360.0°60.0°
CAZCAYCBAH460.0°180.0°
CAYCAZCBBH50.1°0.1°
CAZCAYNAWH2827.6°25.0°
CAYCAZCBFH300.0°0.1°
CBACAYNAWH29116.0°120.0°
CBACAYNAWCAT80.7°85.0°
CAYCBAH2H3120.0°120.0°
CAYCBAH2H4120.0°120.0°
CAYCBAH3H4120.0°120.0°
CBACAYNAWH2899.4°95.0°
CAYNAWCATOAX3.2°5.1°
CAYNAWCATH28180.0°180.0°
CAYNAWCATCAQ170.8°175.0°
NAWCAYCBAH256.7°60.0°
NAWCAYCBAH363.2°180.0°
NAWCAYCBAH4176.8°59.9°
OAXCATNAWCAQ167.6°179.9°
OAXCATCAQCAR87.3°100.5°
OAXCATCAQCAP31.0°19.6°
OAXCATCAQOAU157.3°139.5°
OAXCATNAWH28176.8°175.0°
NAWCATCAQCAR80.5°79.5°
NAWCATCAQCAP161.2°160.5°
NAWCATCAQOAU34.9°40.6°
CATNAWCAYH2935.4°35.0°
CATCAQCARCAP121.8°120.0°
CATCAQCAROAU117.0°120.0°
CATCAQCARCAS180.0°60.0°
CATCAQCAPOAU125.8°119.9°
CATCAQCAPCAO127.6°60.1°
CATCAQOAUCAV67.1°65.0°
CATCAQCARH1959.5°180.0°
CATCAQCARH2059.5°60.0°
CATCAQCAPH23111.9°59.9°
CATCAQCAPH247.2°180.0°
CAQCATNAWH289.2°5.0°
CAQCARCASH19120.5°120.1°
CAQCARCASH20120.5°120.0°
CARCAQCAPOAU119.2°120.0°
CAQCARCASCAN46.8°60.0°
CARCAQCAPCAO12.7°60.0°
CARCAQOAUCAV179.4°175.0°
CAQCARCASH17167.2°180.0°
CAQCARCASH1873.6°59.9°
CAQCARH19H20118.5°120.0°
CARCAQCAPH23133.1°180.0°
CARCAQCAPH24107.8°60.0°
CASCARCAQCAP58.1°60.0°
CASCARCAQOAU63.0°180.0°
CARCASCANH17120.4°120.0°
CARCASCANH18120.4°119.9°
CARCASCANCAO11.7°60.0°
CARCASCANC2154.0°180.0°
CARCASCANH1696.2°60.1°
CARCASH17H18118.8°120.0°
CASCARH19H20118.5°120.0°
CAQCAPCAOH23120.4°120.0°
CAQCAPCAOH24120.4°119.9°
CAQCAPCAOCAN44.4°60.0°
CAPCAQOAUCAV60.8°54.9°
CAPCAQCARH1962.4°60.0°
CAPCAQCARH20178.6°180.0°
CAQCAPCAOH21165.0°60.1°
CAQCAPCAOH2276.1°180.0°
CAQCAPH23H24118.7°120.0°
OAUCAQCAPCAO106.6°180.0°
OAUCAQCARH19176.5°60.0°
OAUCAQCARH2057.5°59.9°
OAUCAQCAPH2313.9°60.0°
OAUCAQCAPH24133.0°60.0°
CAQOAUCAVH25180.0°54.4°
CAQOAUCAVH2660.0°65.6°
CAQOAUCAVH2760.0°174.4°
CASCANCAOCAP58.1°60.0°
CASCANCAOC2142.8°120.0°
CASCANCAOH16107.6°120.0°
CASCANC2H16109.6°119.9°
CASCANC2N3141.8°120.0°
CASCANC2N150.7°59.2°
CANCASH17H18118.9°120.0°
CANCASCARH1973.7°60.1°
CANCASCARH20167.3°180.0°
CASCANCAOH21178.7°60.0°
CASCANCAOH2262.5°180.0°
CAPCAOCANH21120.6°120.1°
CAPCAOCANH22120.6°120.0°
CAPCAOCANC2159.1°180.0°
CAPCAOCANH1649.5°60.0°
CAPCAOH21H22118.2°120.0°
CAOCAPH23H24118.7°120.1°
CAOCANC2H16109.5°120.0°
CAOCANC2N30.9°120.0°
CAOCANC2N1168.4°60.8°
CAOCANCASH17108.7°180.0°
CAOCANCASH18132.1°59.9°
CANCAOH21H22118.2°120.0°
CANCAOCAPH2376.0°180.0°
CANCAOCAPH24164.8°59.9°
OAUCAVH25H26120.0°120.0°
OAUCAVH25H27120.0°120.0°
OAUCAVH26H27120.0°120.0°
CANC2N3N1166.6°179.2°
CANC2N3C4168.8°180.0°
CANC2N1C6172.3°179.7°
C2CANCASH1733.6°60.0°
C2CANCASH1885.6°60.1°
C2CANCAOH2138.5°60.0°
C2CANCAOH2280.4°59.9°
N3C2N1C63.7°0.6°
C2N3C4CAM177.2°179.4°
C2N3C4C51.9°0.5°
N3C2CANH16108.6°0.0°
N1C2N3C42.2°0.9°
C2N1C6C50.9°0.0°
C2N1C6NAF179.7°179.7°
N1C2CANH1658.9°179.2°
N3C4CAMC5175.3°180.0°
N3C4C5C64.6°0.0°
N3C4C5H12175.4°180.0°
N3C4CAMH130.0°90.0°
N3C4CAMH14120.0°30.0°
N3C4CAMH15120.0°150.0°
CBMCABCAANAC178.4°180.0°
CBMCABCAACAE179.4°180.0°
CBMCABNACNAD179.3°180.0°
CBMCABCAAH10.6°0.2°
CABCBMH7H8120.0°120.0°
CABCBMH7H9120.0°119.9°
CABCBMH8H9120.0°119.9°
CBMCABNACH100.7°0.0°
N1C6C5C43.2°0.3°
N1C6C5NAF179.4°179.8°
N1C6NAFCAE7.0°5.6°
N1C6NAFH11173.1°174.4°
N1C6C5H12176.8°179.7°
CABCAACAEH1180.0°179.8°
CABCAACAENAF179.1°180.0°
CABCAACAENAD0.8°0.0°
CAACABNACNAD0.8°0.0°
CAACABCBMH789.0°90.0°
CAACABCBMH8151.0°150.0°
CAACABCBMH931.0°30.0°
CAACABNACH10179.2°180.0°
CAECAACABNAC1.0°0.0°
CAACAENAFC61.9°174.9°
CAACAENAFNAD179.8°179.9°
CAACAENADNAC0.3°0.1°
CAACAENAFH11178.1°5.1°
CAMC4C5C6180.0°180.0°
CAMC4C5H120.0°0.0°
C4CAMH13H14120.0°120.1°
C4CAMH13H15120.0°120.0°
C4CAMH14H15120.0°120.0°
C4C5C6H12180.0°180.0°
C4C5C6NAF176.2°180.0°
C5C4CAMH13175.3°90.0°
C5C4CAMH1455.3°149.9°
C5C4CAMH1564.7°30.0°
CABNACNADCAE0.3°0.1°
CABNACNADH10180.0°179.9°
NACCABCAAH1179.0°179.8°
NACCABCBMH789.3°90.0°
NACCABCBMH830.7°30.0°
NACCABCBMH9150.7°150.0°
C5C6NAFCAE173.7°174.7°
C5C6NAFH116.3°5.3°
C6NAFCAEH11180.0°180.0°
C6NAFCAENAD178.3°5.2°
NAFC6C5H123.8°0.1°
NAFCAENADNAC179.5°180.0°
NAFCAECAAH10.9°0.2°
NADCAECAAH1179.2°179.7°
CAENADNACH10179.8°180.0°
NADCAENAFH111.7°174.8°
H2CBAH3H4120.0°120.0°
H2CBACAYH2959.5°180.0°
H3CBACAYH29179.5°60.0°
H4CBACAYH2960.5°60.1°
H5CBBCBCH62.5°0.3°
H7CBMH8H9120.0°120.1°
H13CAMH14H15120.0°120.0°
H16CANCASH17143.5°59.9°
H16CANCASH1824.2°180.0°
H16CANCAOH2171.0°179.9°
H16CANCAOH22170.1°60.0°
H17CASCARH1946.7°59.9°
H17CASCARH2072.3°60.0°
H18CASCARH19165.9°180.0°
H18CASCARH2046.9°60.1°
H21CAOCAPH2344.6°59.9°
H21CAOCAPH2474.6°180.0°
H22CAOCAPH23163.4°60.0°
H22CAOCAPH2444.3°60.1°
H25CAVH26H27119.9°120.0°
H28NAWCAYH29144.6°145.0°

222415

PDB entries from 2024-07-10

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