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QNS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAAOABsing1.43Å1.47Å
OABCACsing1.36Å1.40Å
CACCADdoub1.39Å1.39ÅAromatic
CACCAHsing1.39Å1.40ÅAromatic
CADCAEsing1.38Å1.41ÅAromatic
CAECAFdoub1.38Å1.42ÅAromatic
CAFCAGsing1.38Å1.41ÅAromatic
CAFCAIsing1.51Å1.48Å
CAGCAHdoub1.38Å1.40ÅAromatic
CAICAJsing1.53Å1.55Å
CAICBCsing1.53Å1.50Å
CAICBGsing1.53Å1.59Å
CAJNAKsing1.47Å1.48Å
NAKCALsing1.35Å1.33Å
CALOAMdoub1.22Å1.23Å
CALCANsing1.48Å1.43Å
CANCAOdoub1.40Å1.41ÅAromatic
CANCBBsing1.40Å1.38ÅAromatic
CAOCLAsing1.74Å1.87Å
CAOCAQsing1.38Å1.41ÅAromatic
CAQCARdoub1.39Å1.39ÅAromatic
CARNASsing1.39Å1.34Å
CARCBAsing1.39Å1.39ÅAromatic
NASCATsing1.35Å1.34Å
CATOAUdoub1.22Å1.23Å
CATCAVsing1.47Å1.35Å
CAVCAWdoub1.37Å1.32ÅAromatic
CAVOAZsing1.35Å1.39ÅAromatic
CAWCAXsing1.40Å1.34ÅAromatic
CAXCAYdoub1.35Å1.34ÅAromatic
CAYOAZsing1.34Å1.40ÅAromatic
CBACBBdoub1.38Å1.38ÅAromatic
CBCCBDsing1.53Å1.55Å
CBDOBEsing1.43Å1.44Å
OBECBFsing1.43Å1.45Å
CBFCBGsing1.53Å1.48Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CADHADsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAJHAJsing1.09Å1.10Å
CAJHAJAsing1.09Å1.10Å
NAKHNAKsing0.97Å1.00Å
CAQHAQsing1.08Å1.08Å
NASHNASsing0.97Å1.00Å
CAWHAWsing1.08Å1.08Å
CAXHAXsing1.08Å1.08Å
CAYHAYsing1.08Å1.08Å
CBAHBAsing1.08Å1.08Å
CBBHBBsing1.08Å1.08Å
CBCHBCsing1.09Å1.10Å
CBCHBCAsing1.09Å1.10Å
CBDHBDsing1.09Å1.10Å
CBDHBDAsing1.09Å1.10Å
CBFHBFsing1.09Å1.10Å
CBFHBFAsing1.09Å1.10Å
CBGHBGsing1.09Å1.10Å
CBGHBGAsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAAOABCAC114.7°117.0°
OABCAAHAA109.5°109.4°
OABCAAHAAA109.5°109.5°
OABCAAHAAB109.5°109.5°
OABCACCAD119.2°120.1°
OABCACCAH123.6°120.1°
CADCACCAH117.2°119.9°
CACCADCAE121.9°120.0°
CACCADHAD119.1°120.0°
CACCAHCAG121.6°119.9°
CACCAHHAH119.2°120.0°
CADCAECAF121.2°120.0°
CAECADHAD119.0°120.0°
CADCAEHAE119.4°120.0°
CAECAFCAG116.3°120.1°
CAECAFCAI119.7°119.9°
CAFCAEHAE119.4°120.0°
CAGCAFCAI124.0°119.9°
CAFCAGCAH121.8°120.0°
CAFCAGHAG119.1°120.0°
CAFCAICAJ108.2°109.6°
CAFCAICBC106.0°109.5°
CAFCAICBG113.7°109.6°
CAHCAGHAG119.1°120.0°
CAGCAHHAH119.2°120.0°
CAJCAICBC106.7°109.5°
CAJCAICBG106.6°109.5°
CAICAJNAK113.4°109.4°
CAICAJHAJ108.5°109.5°
CAICAJHAJA108.5°109.5°
CBCCAICBG115.3°109.1°
CAICBCCBD117.0°109.2°
CAICBCHBC107.6°109.5°
CAICBCHBCA107.6°109.5°
CAICBGCBF114.0°109.2°
CAICBGHBG108.4°109.5°
CAICBGHBGA108.3°109.5°
CAJNAKCAL121.8°120.0°
NAKCAJHAJ108.5°109.4°
NAKCAJHAJA108.4°109.5°
CAJNAKHNAK119.1°120.0°
NAKCALOAM116.9°120.0°
NAKCALCAN118.6°120.0°
CALNAKHNAK119.1°120.0°
OAMCALCAN122.3°120.0°
CALCANCAO126.6°120.1°
CALCANCBB118.8°120.1°
CAOCANCBB114.4°119.8°
CANCAOCLA121.7°120.0°
CANCAOCAQ121.0°119.9°
CANCBBCBA124.7°119.9°
CANCBBHBB117.7°120.0°
CLACAOCAQ117.3°120.0°
CAOCAQCAR122.9°120.1°
CAOCAQHAQ118.5°120.0°
CAQCARNAS118.2°119.9°
CAQCARCBA115.7°120.1°
CARCAQHAQ118.6°119.9°
NASCARCBA125.8°120.0°
CARNASCAT126.0°120.0°
CARNASHNAS117.0°119.9°
CARCBACBB121.2°120.1°
CARCBAHBA119.4°119.9°
NASCATOAU125.9°120.0°
NASCATCAV112.1°120.0°
CATNASHNAS117.0°120.0°
OAUCATCAV121.7°120.0°
CATCAVCAW126.9°126.0°
CATCAVOAZ124.5°126.0°
CAWCAVOAZ108.5°108.0°
CAVCAWCAX109.4°106.7°
CAVCAWHAW125.3°126.6°
CAVOAZCAY105.2°109.4°
CAWCAXCAY109.2°107.1°
CAXCAWHAW125.3°126.6°
CAWCAXHAX125.4°126.4°
CAXCAYOAZ107.7°108.8°
CAYCAXHAX125.4°126.5°
CAXCAYHAY126.1°125.6°
OAZCAYHAY126.2°125.6°
CBBCBAHBA119.4°120.0°
CBACBBHBB117.7°120.0°
CBCCBDOBE112.1°109.4°
CBDCBCHBC107.6°109.5°
CBDCBCHBCA107.6°109.5°
CBCCBDHBD108.8°109.5°
CBCCBDHBDA108.8°109.4°
CBDOBECBF103.0°114.1°
OBECBDHBD108.8°109.5°
OBECBDHBDA108.8°109.5°
OBECBFCBG110.4°109.5°
OBECBFHBF109.3°109.5°
OBECBFHBFA109.3°109.5°
CBGCBFHBF109.2°109.5°
CBGCBFHBFA109.2°109.4°
CBFCBGHBG108.3°109.6°
CBFCBGHBGA108.4°109.4°
HAACAAHAAA109.5°109.4°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.5°109.5°
HAJCAJHAJA109.5°109.5°
HBCCBCHBCA109.5°109.6°
HBDCBDHBDA109.5°109.4°
HBFCBFHBFA109.4°109.5°
HBGCBGHBGA109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAAOABCACCAD172.1°180.0°
CAAOABCACCAH7.4°0.3°
OABCAAHAAHAAA120.0°120.0°
OABCAAHAAHAAB120.0°120.0°
OABCAAHAAAHAAB120.0°120.0°
OABCACCADCAH179.6°179.7°
OABCACCADCAE178.5°180.0°
OABCACCAHCAG178.2°179.6°
CACOABCAAHAA180.0°180.0°
CACOABCAAHAAA60.0°60.1°
CACOABCAAHAAB60.0°60.0°
OABCACCADHAD1.5°0.0°
OABCACCAHHAH1.8°0.0°
CACCADCAEHAD180.0°179.9°
CACCADCAECAF1.6°0.0°
CADCACCAHCAG2.2°0.6°
CACCADCAEHAE178.4°180.0°
CADCACCAHHAH177.7°179.8°
CAHCACCADCAE2.0°0.3°
CACCAHCAGCAF2.2°0.7°
CACCAHCAGHAH180.0°179.6°
CAHCACCADHAD178.0°179.8°
CACCAHCAGHAG177.8°179.7°
CADCAECAFHAE180.0°180.0°
CADCAECAFCAG1.4°0.1°
CADCAECAFCAI179.3°180.0°
CAECAFCAGCAI179.3°179.9°
CAECAFCAGCAH1.7°0.4°
CAECAFCAICAJ66.5°57.3°
CAECAFCAICBC47.7°62.9°
CAECAFCAICBG175.3°177.5°
CAFCAECADHAD178.4°180.0°
CAECAFCAGHAG178.4°179.9°
CAFCAGCAHHAG180.0°179.7°
CAGCAFCAICAJ114.2°122.8°
CAGCAFCAICBC131.7°117.1°
CAGCAFCAICBG4.0°2.6°
CAGCAFCAEHAE178.6°179.9°
CAFCAGCAHHAH177.8°179.7°
CAICAFCAGCAH179.0°179.7°
CAFCAICAJCBC113.7°120.2°
CAFCAICAJCBG122.6°120.2°
CAFCAICBCCBG126.7°119.9°
CAFCAICAJNAK53.2°56.4°
CAFCAICBCCBD121.6°176.8°
CAFCAICBGCBF126.3°176.7°
CAICAFCAEHAE0.7°0.0°
CAICAFCAGHAG1.0°0.0°
CAFCAICAJHAJ173.8°176.4°
CAFCAICAJHAJA67.4°63.6°
CAFCAICBCHBC0.5°57.0°
CAFCAICBCHBCA117.4°63.2°
CAFCAICBGHBG113.1°63.2°
CAFCAICBGHBGA5.6°56.9°
CAJCAICBCCBG118.1°119.9°
CAICAJNAKHAJ120.6°120.0°
CAICAJNAKHAJA120.6°120.0°
CAICAJNAKCAL164.3°176.8°
CAJCAICBCCBD123.3°63.0°
CAJCAICBGCBF114.6°63.1°
CAICAJHAJHAJA118.2°120.1°
CAICAJNAKHNAK15.7°3.1°
CAJCAICBCHBC115.6°177.2°
CAJCAICBCHBCA2.2°57.0°
CAJCAICBGHBG6.1°57.0°
CAJCAICBGHBGA124.7°177.1°
CBCCAICAJNAK166.9°176.6°
CAICBCCBDHBC121.1°119.9°
CAICBCCBDHBCA121.1°119.9°
CAICBCCBDOBE27.2°57.6°
CBCCAICBGCBF3.6°56.8°
CBCCAICAJHAJ72.6°63.5°
CBCCAICAJHAJA46.3°56.6°
CAICBCHBCHBCA116.6°120.2°
CAICBCCBDHBD147.6°177.6°
CAICBCCBDHBDA93.2°62.4°
CBCCAICBGHBG124.2°176.9°
CBCCAICBGHBGA117.1°63.0°
CBGCAICAJNAK69.4°63.8°
CBGCAICBCCBD5.1°56.9°
CAICBGCBFOBE45.3°57.4°
CAICBGCBFHBG120.7°120.0°
CAICBGCBFHBGA120.6°119.9°
CBGCAICAJHAJ51.2°56.1°
CBGCAICAJHAJA170.0°176.2°
CBGCAICBCHBC126.2°63.0°
CBGCAICBCHBCA115.9°176.8°
CAICBGCBFHBF165.4°177.5°
CAICBGCBFHBFA74.9°62.5°
CAICBGHBGHBGA117.9°120.1°
CAJNAKCALHNAK180.0°180.0°
CAJNAKCALOAM8.7°0.0°
CAJNAKCALCAN172.2°180.0°
NAKCAJHAJHAJA118.2°120.0°
NAKCALOAMCAN162.9°180.0°
NAKCALCANCAO13.1°180.0°
NAKCALCANCBB161.0°0.3°
CALNAKCAJHAJ43.7°63.1°
CALNAKCAJHAJA75.1°56.8°
OAMCALCANCAO175.7°0.0°
OAMCALCANCBB1.6°179.8°
OAMCALNAKHNAK171.3°180.0°
CALCANCAOCBB174.3°179.8°
CALCANCAOCLA4.4°0.0°
CALCANCAOCAQ176.4°180.0°
CALCANCBBCBA177.0°179.8°
CANCALNAKHNAK7.8°0.0°
CALCANCBBHBB3.0°0.1°
CANCAOCLACAQ179.3°179.9°
CANCAOCAQCAR0.0°0.0°
CAOCANCBBCBA2.2°0.4°
CANCAOCAQHAQ180.0°180.0°
CAOCANCBBHBB177.8°179.7°
CBBCANCAOCLA178.7°179.7°
CBBCANCAOCAQ2.1°0.2°
CANCBBCBACAR0.3°0.4°
CANCBBCBAHBB180.0°179.9°
CANCBBCBAHBA179.6°179.7°
CLACAOCAQCAR179.3°180.0°
CLACAOCAQHAQ0.7°0.1°
CAOCAQCARHAQ180.0°179.9°
CAOCAQCARNAS176.4°180.0°
CAOCAQCARCBA1.9°0.0°
CAQCARNASCBA173.9°179.9°
CAQCARNASCAT174.5°33.2°
CAQCARCBACBB1.8°0.2°
CAQCARNASHNAS5.5°146.8°
CAQCARCBAHBA178.3°180.0°
CARNASCATHNAS180.0°180.0°
CARNASCATOAU13.7°5.1°
CARNASCATCAV172.5°174.9°
NASCARCBACBB175.8°179.7°
NASCARCAQHAQ3.6°0.1°
NASCARCBAHBA4.2°0.1°
CBACARNASCAT11.6°146.8°
CARCBACBBHBA180.0°179.8°
CBACARCAQHAQ178.1°180.0°
CBACARNASHNAS168.4°33.2°
CARCBACBBHBB179.7°179.7°
NASCATOAUCAV173.3°180.0°
NASCATCAVCAW174.1°180.0°
NASCATCAVOAZ7.9°0.3°
OAUCATCAVCAW0.0°0.0°
OAUCATCAVOAZ178.0°179.7°
OAUCATNASHNAS166.3°174.9°
CATCAVCAWOAZ178.3°179.8°
CATCAVCAWCAX178.6°180.0°
CATCAVOAZCAY178.9°179.9°
CAVCATNASHNAS7.5°5.2°
CATCAVCAWHAW1.3°0.0°
CAVCAWCAXHAW180.0°179.9°
CAVCAWCAXCAY0.0°0.0°
CAWCAVOAZCAY0.6°0.4°
CAVCAWCAXHAX179.9°179.9°
OAZCAVCAWCAX0.3°0.2°
CAVOAZCAYCAX0.6°0.4°
OAZCAVCAWHAW179.6°179.7°
CAVOAZCAYHAY179.4°179.8°
CAWCAXCAYHAX180.0°179.9°
CAWCAXCAYOAZ0.4°0.3°
CAWCAXCAYHAY179.6°179.9°
CAXCAYOAZHAY180.0°179.8°
CAYCAXCAWHAW180.0°180.0°
OAZCAYCAXHAX179.6°179.8°
CBCCBDOBEHBD120.4°120.1°
CBCCBDOBEHBDA120.4°119.9°
CBCCBDOBECBF67.2°61.1°
CBDCBCHBCHBCA116.6°120.1°
CBCCBDHBDHBDA118.8°120.0°
CBDOBECBFCBG78.0°61.1°
OBECBDCBCHBC93.9°62.3°
OBECBDCBCHBCA148.3°177.5°
OBECBDHBDHBDA118.8°120.0°
CBDOBECBFHBF161.9°178.9°
CBDOBECBFHBFA42.2°58.9°
OBECBFCBGHBF120.2°120.0°
OBECBFCBGHBFA120.2°120.0°
CBFOBECBDHBD172.4°178.8°
CBFOBECBDHBDA53.2°58.8°
OBECBFHBFHBFA119.6°120.0°
OBECBFCBGHBG165.9°177.5°
OBECBFCBGHBGA75.4°62.4°
CBGCBFHBFHBFA119.5°120.0°
CBFCBGHBGHBGA118.0°120.1°
HAACAAHAAAHAAB120.0°120.0°
HADCADCAEHAE1.6°0.0°
HAGCAGCAHHAH2.2°0.1°
HAJCAJNAKHNAK136.3°116.9°
HAJACAJNAKHNAK104.9°123.1°
HAWCAWCAXHAX0.0°0.1°
HAXCAXCAYHAY0.4°0.0°
HBACBACBBHBB0.4°0.1°
HBCCBCCBDHBD26.5°57.7°
HBCCBCCBDHBDA145.7°177.7°
HBCACBCCBDHBD91.3°62.4°
HBCACBCCBDHBDA27.9°57.5°
HBFCBFCBGHBG73.9°62.5°
HBFCBFCBGHBGA44.8°57.6°
HBFACBFCBGHBG45.8°57.5°
HBFACBFCBGHBGA164.4°177.6°

222624

PDB entries from 2024-07-17

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