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HCW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OBHCAVdoub1.22Å1.22Å
CAVNAFsing1.35Å1.33Å
CAVNAEsing1.35Å1.33Å
NAFCAWsing1.40Å1.35Å
CAWCBBsing1.39Å1.39ÅAromatic
CAWCAXdoub1.39Å1.39ÅAromatic
CBBCBAdoub1.38Å1.39ÅAromatic
CBACAZsing1.40Å1.39ÅAromatic
CAXCAYsing1.38Å1.38ÅAromatic
CAYCAZdoub1.40Å1.39ÅAromatic
CAZCBCsing1.47Å1.50Å
CBCCBDsing1.51Å1.50Å
CBCNAGdoub1.30Å1.33Å
NAGNAHsing1.40Å1.32Å
NAHCBEsing1.38Å1.47Å
CBENAIsing1.37Å1.48Å
CBENAJdoub1.29Å1.46Å
NAICBFsing1.47Å1.27Å
CBFCBGsing1.54Å1.51Å
CBGNAJsing1.47Å1.45Å
NAECASsing1.40Å1.36Å
CASCARsing1.39Å1.39ÅAromatic
CASCATdoub1.39Å1.39ÅAromatic
CARCAQdoub1.38Å1.39ÅAromatic
CAQCAPsing1.40Å1.40ÅAromatic
CAPCAUdoub1.40Å1.39ÅAromatic
CAPCANsing1.47Å1.51Å
CAUCATsing1.38Å1.38ÅAromatic
CANCAOsing1.51Å1.50Å
CANNADdoub1.30Å1.33Å
NADNACsing1.40Å1.24Å
NACCAMsing1.38Å1.46Å
CAMNABdoub1.29Å1.44Å
CAMNAAsing1.37Å1.47Å
NABCALsing1.47Å1.45Å
CALCAKsing1.54Å1.52Å
CAKNAAsing1.47Å1.28Å
NAFHAFsing0.97Å1.00Å
NAEHAEsing0.97Å1.00Å
CBBHBBsing1.08Å1.08Å
CAXHAXsing1.08Å1.08Å
CBAHBAsing1.08Å1.08Å
CAYHAYsing1.08Å1.08Å
CBDHBD1sing1.09Å1.10Å
CBDHBD2sing1.09Å1.10Å
CBDHBD3sing1.09Å1.10Å
NAHHAHsing0.97Å1.00Å
NAIHAIsing0.97Å1.00Å
CBFHBF1sing1.09Å1.10Å
CBFHBF2sing1.09Å1.10Å
CBGHBG1sing1.09Å1.10Å
CBGHBG2sing1.09Å1.10Å
CARHARsing1.08Å1.08Å
CATHATsing1.08Å1.08Å
CAQHAQsing1.08Å1.08Å
CAUHAUsing1.08Å1.08Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CAOHAO3sing1.09Å1.10Å
NACHACsing0.97Å1.00Å
CALHAL1sing1.09Å1.10Å
CALHAL2sing1.09Å1.10Å
CAKHAK1sing1.09Å1.10Å
CAKHAK2sing1.09Å1.10Å
NAAHAAsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBHCAVNAF125.0°120.0°
OBHCAVNAE124.5°120.0°
NAFCAVNAE110.5°120.0°
CAVNAFCAW131.4°120.0°
CAVNAFHAF114.3°120.0°
CAVNAECAS132.2°120.0°
CAVNAEHAE113.9°120.0°
NAFCAWCBB124.4°120.0°
NAFCAWCAX115.7°119.9°
CAWNAFHAF114.3°120.0°
CBBCAWCAX120.0°120.2°
CAWCBBCBA119.3°120.1°
CAWCBBHBB120.4°119.9°
CAWCAXCAY120.5°120.0°
CAWCAXHAX119.8°120.0°
CBBCBACAZ120.9°119.9°
CBACBBHBB120.3°120.0°
CBBCBAHBA119.5°120.0°
CBACAZCAY119.6°119.9°
CBACAZCBC120.9°120.0°
CAZCBAHBA119.5°120.1°
CAXCAYCAZ119.7°119.9°
CAYCAXHAX119.7°120.0°
CAXCAYHAY120.2°120.1°
CAYCAZCBC119.5°120.1°
CAZCAYHAY120.1°120.0°
CAZCBCCBD121.7°120.0°
CAZCBCNAG118.6°120.0°
CBDCBCNAG119.7°119.9°
CBCCBDHBD1109.5°109.4°
CBCCBDHBD2109.4°109.5°
CBCCBDHBD3109.5°109.4°
CBCNAGNAH126.0°120.0°
NAGNAHCBE119.0°120.0°
NAGNAHHAH120.5°119.9°
NAHCBENAI113.6°122.9°
NAHCBENAJ112.7°122.9°
CBENAHHAH120.5°120.0°
NAICBENAJ101.2°114.2°
CBENAICBF112.8°108.3°
CBENAIHAI123.7°125.8°
CBENAJCBG112.9°110.1°
NAICBFCBG112.7°103.3°
CBFNAIHAI123.6°125.9°
NAICBFHBF1108.4°110.7°
NAICBFHBF2108.4°110.7°
CBFCBGNAJ100.0°104.0°
CBGCBFHBF1108.4°110.7°
CBGCBFHBF2108.4°110.6°
CBFCBGHBG1112.8°110.5°
CBFCBGHBG2112.8°110.5°
NAJCBGHBG1112.8°110.7°
NAJCBGHBG2112.7°110.4°
NAECASCAR126.5°119.9°
NAECASCAT113.9°119.9°
CASNAEHAE113.9°120.0°
CARCASCAT119.6°120.2°
CASCARCAQ119.1°120.1°
CASCARHAR120.5°119.9°
CASCATCAU120.9°120.0°
CASCATHAT119.6°120.0°
CARCAQCAP121.5°119.9°
CAQCARHAR120.4°120.0°
CARCAQHAQ119.3°120.0°
CAQCAPCAU118.5°119.8°
CAQCAPCAN124.6°120.1°
CAPCAQHAQ119.3°120.1°
CAUCAPCAN116.9°120.1°
CAPCAUCAT120.4°120.0°
CAPCAUHAU119.8°120.0°
CAPCANCAO124.8°120.0°
CAPCANNAD116.1°120.0°
CAUCATHAT119.6°119.9°
CATCAUHAU119.8°120.0°
CAOCANNAD119.2°120.0°
CANCAOHAO1109.5°109.5°
CANCAOHAO2109.5°109.5°
CANCAOHAO3109.5°109.5°
CANNADNAC126.5°120.0°
NADNACCAM117.0°120.0°
NADNACHAC121.5°120.0°
NACCAMNAB122.9°122.9°
NACCAMNAA122.5°122.9°
CAMNACHAC121.5°120.0°
NABCAMNAA103.4°114.2°
CAMNABCAL108.3°110.1°
CAMNAACAK108.1°108.4°
CAMNAAHAA126.0°125.8°
NABCALCAK99.0°104.1°
NABCALHAL1113.1°110.5°
NABCALHAL2113.2°110.5°
CALCAKNAA113.4°103.2°
CAKCALHAL1113.2°110.5°
CAKCALHAL2113.1°110.5°
CALCAKHAK1108.2°110.6°
CALCAKHAK2108.2°110.7°
NAACAKHAK1108.2°110.8°
NAACAKHAK2108.2°110.5°
CAKNAAHAA125.9°125.8°
HBD1CBDHBD2109.5°109.5°
HBD1CBDHBD3109.4°109.5°
HBD2CBDHBD3109.5°109.4°
HBF1CBFHBF2110.6°110.7°
HBG1CBGHBG2106.0°110.6°
HAO1CAOHAO2109.5°109.5°
HAO1CAOHAO3109.5°109.5°
HAO2CAOHAO3109.5°109.4°
HAL1CALHAL2105.5°110.6°
HAK1CAKHAK2110.7°110.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBHCAVNAFNAE179.6°179.7°
OBHCAVNAFCAW0.7°5.1°
OBHCAVNAECAS0.6°4.7°
OBHCAVNAFHAF179.3°174.8°
OBHCAVNAEHAE179.4°175.3°
CAVNAFCAWHAF180.0°180.0°
CAVNAFCAWCBB0.4°146.6°
CAVNAFCAWCAX179.6°33.7°
NAFCAVNAECAS179.1°175.6°
NAFCAVNAEHAE0.9°4.3°
NAECAVNAFCAW179.7°175.2°
CAVNAECASHAE180.0°180.0°
CAVNAECASCAR1.3°144.3°
CAVNAECASCAT178.7°36.0°
NAECAVNAFHAF0.3°4.8°
NAFCAWCBBCAX180.0°179.7°
NAFCAWCBBCBA179.9°180.0°
NAFCAWCAXCAY179.8°180.0°
NAFCAWCBBHBB0.1°0.0°
NAFCAWCAXHAX0.1°0.0°
CAWCBBCBAHBB180.0°180.0°
CAWCBBCBACAZ0.1°0.0°
CBBCAWCAXCAY0.2°0.3°
CBBCAWNAFHAF179.6°33.4°
CBBCAWCAXHAX179.9°179.7°
CAWCBBCBAHBA179.9°180.0°
CAXCAWCBBCBA0.1°0.3°
CAWCAXCAYHAX180.0°180.0°
CAWCAXCAYCAZ0.3°0.0°
CAXCAWNAFHAF0.4°146.3°
CAXCAWCBBHBB179.9°179.7°
CAWCAXCAYHAY179.7°180.0°
CBBCBACAZHBA180.0°180.0°
CBBCBACAZCAY0.3°0.3°
CBBCBACAZCBC179.9°180.0°
CBACAZCAYCAX0.4°0.3°
CBACAZCAYCBC179.8°179.7°
CBACAZCBCCBD0.5°180.0°
CBACAZCBCNAG179.4°0.0°
CAZCBACBBHBB179.9°180.0°
CBACAZCAYHAY179.6°179.7°
CAXCAYCAZHAY180.0°180.0°
CAXCAYCAZCBC179.9°180.0°
CAYCAZCBCCBD179.3°0.2°
CAYCAZCBCNAG0.4°179.8°
CAZCAYCAXHAX179.7°180.0°
CAYCAZCBAHBA179.7°179.7°
CAZCBCCBDNAG178.9°180.0°
CAZCBCNAGNAH177.1°180.0°
CBCCAZCBAHBA0.1°0.0°
CBCCAZCAYHAY0.2°0.1°
CAZCBCCBDHBD1180.0°90.0°
CAZCBCCBDHBD260.0°150.0°
CAZCBCCBDHBD360.0°30.0°
CBDCBCNAGNAH4.0°0.0°
CBCCBDHBD1HBD2120.0°120.1°
CBCCBDHBD1HBD3120.0°120.0°
CBCCBDHBD2HBD3120.0°119.9°
CBCNAGNAHCBE162.5°180.0°
NAGCBCCBDHBD11.1°90.0°
NAGCBCCBDHBD2121.1°30.1°
NAGCBCCBDHBD3118.9°150.0°
CBCNAGNAHHAH17.6°0.0°
NAGNAHCBEHAH180.0°180.0°
NAGNAHCBENAI19.7°180.0°
NAGNAHCBENAJ134.1°0.3°
NAHCBENAINAJ121.1°179.7°
NAHCBENAICBF125.3°180.0°
NAHCBENAJCBG127.8°179.9°
NAHCBENAIHAI54.7°0.1°
CBENAICBFHAI180.0°179.9°
CBENAICBFCBG1.0°0.0°
NAICBENAJCBG6.1°0.4°
NAICBENAHHAH160.3°0.0°
CBENAICBFHBF1119.0°118.5°
CBENAICBFHBF2121.0°118.4°
NAJCBENAICBF4.2°0.3°
CBENAJCBGCBF5.5°0.3°
NAJCBENAHHAH45.9°179.7°
NAJCBENAIHAI175.8°179.8°
CBENAJCBGHBG1114.5°118.3°
CBENAJCBGHBG2125.5°118.9°
NAICBFCBGHBF1120.0°118.5°
NAICBFCBGHBF2120.0°118.4°
NAICBFCBGNAJ2.7°0.2°
NAICBFHBF1HBF2118.7°123.1°
NAICBFCBGHBG1117.3°118.6°
NAICBFCBGHBG2122.7°118.6°
CBFCBGNAJHBG1120.0°118.7°
CBFCBGNAJHBG2120.0°118.6°
CBGCBFNAIHAI179.0°180.0°
CBGCBFHBF1HBF2118.7°123.0°
CBFCBGHBG1HBG2123.8°122.7°
NAJCBGCBFHBF1122.7°118.7°
NAJCBGCBFHBF2117.3°118.3°
NAJCBGHBG1HBG2123.8°122.6°
NAECASCARCAT179.9°179.7°
NAECASCARCAQ180.0°180.0°
NAECASCATCAU179.2°179.8°
NAECASCARHAR0.0°0.1°
NAECASCATHAT0.8°0.0°
CASCARCAQHAR180.0°179.9°
CASCARCAQCAP0.7°0.0°
CARCASCATCAU0.9°0.6°
CARCASNAEHAE178.7°35.6°
CARCASCATHAT179.1°179.7°
CASCARCAQHAQ179.3°179.9°
CATCASCARCAQ0.0°0.3°
CASCATCAUCAP1.0°0.5°
CASCATCAUHAT180.0°179.8°
CATCASNAEHAE1.3°144.0°
CATCASCARHAR180.0°179.8°
CASCATCAUHAU179.0°179.7°
CARCAQCAPHAQ180.0°180.0°
CARCAQCAPCAU0.6°0.0°
CARCAQCAPCAN179.7°180.0°
CAQCAPCAUCAN179.7°180.0°
CAQCAPCAUCAT0.2°0.2°
CAQCAPCANCAO1.0°180.0°
CAQCAPCANNAD179.1°0.0°
CAPCAQCARHAR179.3°180.0°
CAQCAPCAUHAU179.8°180.0°
CAPCAUCATHAU180.0°179.7°
CAUCAPCANCAO179.4°0.0°
CAUCAPCANNAD0.6°180.0°
CAPCAUCATHAT179.0°179.7°
CAUCAPCAQHAQ179.4°180.0°
CANCAPCAUCAT179.5°179.8°
CAPCANCAONAD179.9°180.0°
CAPCANNADNAC177.6°180.0°
CANCAPCAQHAQ0.3°0.0°
CANCAPCAUHAU0.5°0.1°
CAPCANCAOHAO1180.0°90.0°
CAPCANCAOHAO260.0°150.0°
CAPCANCAOHAO360.0°30.0°
CAOCANNADNAC2.4°0.0°
CANCAOHAO1HAO2120.0°120.0°
CANCAOHAO1HAO3120.0°120.0°
CANCAOHAO2HAO3120.0°120.0°
CANNADNACCAM174.1°180.0°
NADCANCAOHAO10.1°90.0°
NADCANCAOHAO2119.9°30.0°
NADCANCAOHAO3120.1°150.0°
CANNADNACHAC6.0°0.0°
NADNACCAMHAC180.0°180.0°
NADNACCAMNAB168.4°0.0°
NADNACCAMNAA30.6°179.7°
NACCAMNABNAA144.3°179.7°
NACCAMNABCAL173.2°180.0°
NACCAMNAACAK166.1°179.9°
NACCAMNAAHAA13.9°0.0°
CAMNABCALCAK23.8°0.0°
NABCAMNAACAK21.6°0.4°
NABCAMNACHAC11.6°180.0°
CAMNABCALHAL1143.8°118.6°
CAMNABCALHAL296.2°118.6°
NABCAMNAAHAA158.4°179.7°
NAACAMNABCAL28.8°0.3°
CAMNAACAKCAL6.8°0.3°
CAMNAACAKHAA180.0°179.9°
NAACAMNACHAC149.3°0.3°
CAMNAACAKHAK1126.8°118.1°
CAMNAACAKHAK2113.2°118.7°
NABCALCAKHAL1120.0°118.7°
NABCALCAKHAL2120.0°118.6°
NABCALCAKNAA10.5°0.2°
NABCALHAL1HAL2124.3°122.7°
NABCALCAKHAK1109.5°118.4°
NABCALCAKHAK2130.5°118.4°
CALCAKNAAHAK1120.0°118.5°
CALCAKNAAHAK2120.0°118.4°
CAKCALHAL1HAL2124.2°122.6°
CALCAKHAK1HAK2118.4°123.1°
CALCAKNAAHAA173.2°179.7°
NAACAKCALHAL1130.5°118.9°
NAACAKCALHAL2109.5°118.4°
NAACAKHAK1HAK2118.4°123.0°
HBBCBBCBAHBA0.1°0.0°
HAXCAXCAYHAY0.3°0.1°
HBD1CBDHBD2HBD3120.0°120.0°
HAINAICBFHBF161.0°61.5°
HAINAICBFHBF259.0°61.6°
HBF1CBFCBGHBG12.7°0.1°
HBF1CBFCBGHBG2117.3°122.9°
HBF2CBFCBGHBG1122.7°123.0°
HBF2CBFCBGHBG22.7°0.2°
HARCARCAQHAQ0.7°0.0°
HATCATCAUHAU1.0°0.0°
HAO1CAOHAO2HAO3120.0°120.0°
HAL1CALCAKHAK110.5°0.2°
HAL1CALCAKHAK2109.5°122.9°
HAL2CALCAKHAK1130.5°122.9°
HAL2CALCAKHAK210.5°0.2°
HAK1CAKNAAHAA53.2°61.8°
HAK2CAKNAAHAA66.9°61.3°

222415

PDB entries from 2024-07-10

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