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RX4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAPCANsing1.38Å1.39ÅAromatic
CAPCBCdoub1.38Å1.42ÅAromatic
CANCAMdoub1.38Å1.41ÅAromatic
CAMCAOsing1.38Å1.41ÅAromatic
CAOCAQdoub1.38Å1.40ÅAromatic
CAQCBCsing1.38Å1.39ÅAromatic
CBCCASsing1.51Å1.55Å
CASCBGsing1.53Å1.58Å
CBGNAWsing1.46Å1.46Å
CBGP1sing1.82Å1.81Å
NAWCBBsing1.35Å1.34Å
CBBOAIdoub1.21Å1.24Å
CBBCBFsing1.51Å1.54Å
CBFCARsing1.53Å1.50Å
CBFNAUsing1.46Å1.51Å
CARCAZsing1.51Å1.55Å
CAZOAKsing1.34Å1.26Å
CAZOAGdoub1.21Å1.23Å
NAUCAXsing1.35Å1.35Å
CAXCAAsing1.51Å1.56Å
CAXOAEdoub1.21Å1.25Å
P1O4sing1.61Å1.52Å
P1O3doub1.48Å1.51Å
P1CATsing1.82Å1.79Å
CATCBDsing1.53Å1.53Å
CBDCABsing1.53Å1.61Å
CBDCBAsing1.51Å1.58Å
CBAOAHdoub1.21Å1.24Å
CBANsing1.35Å1.33Å
NCAsing1.46Å1.51Å
CACBsing1.53Å1.54Å
CACsing1.51Å1.57Å
COdoub1.21Å1.28Å
CNADsing1.35Å1.32Å
CAPHAPsing1.08Å1.08Å
CANHANsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CAQHAQsing1.08Å1.08Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CBGHBGsing1.09Å1.10Å
NAWHAWsing0.97Å1.00Å
CBFHBFsing1.09Å1.10Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
NAUHAUsing0.97Å1.00Å
OAKHAKsing0.97Å0.95Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
O4HALsing0.97Å0.95Å
CATHAT1sing1.09Å1.10Å
CATHAT2sing1.09Å1.10Å
CBDHBDsing1.09Å1.10Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
NHsing0.97Å1.00Å
CAHAsing1.09Å1.10Å
CBHB1Csing1.09Å1.10Å
CBHB2Csing1.09Å1.10Å
CBHB3Csing1.09Å1.10Å
NADHAD1sing0.97Å1.00Å
NADHAD2sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANCAPCBC123.3°120.0°
CAPCANCAM114.3°120.0°
CANCAPHAP118.4°120.0°
CAPCANHAN122.8°120.0°
CAPCBCCAQ121.4°120.0°
CAPCBCCAS115.9°120.0°
CBCCAPHAP118.4°120.0°
CANCAMCAO123.7°120.0°
CAMCANHAN122.8°120.0°
CANCAMHAM118.1°120.0°
CAMCAOCAQ120.1°120.0°
CAOCAMHAM118.2°120.0°
CAMCAOHAO119.9°120.0°
CAOCAQCBC117.1°120.0°
CAQCAOHAO119.9°120.0°
CAOCAQHAQ121.4°120.0°
CAQCBCCAS122.5°120.0°
CBCCAQHAQ121.4°120.0°
CBCCASCBG105.7°109.5°
CBCCASHAS1110.7°109.5°
CBCCASHAS2110.8°109.5°
CASCBGNAW110.9°109.5°
CASCBGP1113.0°109.5°
CBGCASHAS1110.8°109.5°
CBGCASHAS2110.8°109.4°
CASCBGHBG104.8°109.4°
NAWCBGP1105.4°109.5°
CBGNAWCBB117.6°120.0°
NAWCBGHBG112.5°109.5°
CBGNAWHAW121.2°120.0°
CBGP1O4110.7°109.5°
CBGP1O3113.7°109.5°
CBGP1CAT107.2°109.5°
P1CBGHBG110.4°109.5°
NAWCBBOAI122.3°120.0°
NAWCBBCBF119.4°120.0°
CBBNAWHAW121.2°120.0°
OAICBBCBF117.6°120.0°
CBBCBFCAR111.9°109.5°
CBBCBFNAU104.3°109.5°
CBBCBFHBF112.6°109.4°
CARCBFNAU113.1°109.5°
CBFCARCAZ106.1°109.5°
CARCBFHBF103.7°109.5°
CBFCARHAR1110.6°109.4°
CBFCARHAR2110.6°109.5°
CBFNAUCAX122.8°120.0°
NAUCBFHBF111.5°109.5°
CBFNAUHAU118.6°120.0°
CARCAZOAK119.6°120.0°
CARCAZOAG115.8°120.0°
CAZCARHAR1110.6°109.4°
CAZCARHAR2110.6°109.5°
OAKCAZOAG124.5°120.0°
CAZOAKHAK109.5°117.0°
NAUCAXCAA115.6°120.0°
NAUCAXOAE123.9°120.0°
CAXNAUHAU118.6°120.0°
CAACAXOAE120.5°120.0°
CAXCAAHAA1109.5°109.5°
CAXCAAHAA2109.5°109.5°
CAXCAAHAA3109.5°109.5°
O4P1O3101.2°109.5°
O4P1CAT110.9°109.5°
P1O4HAL109.5°114.0°
O3P1CAT113.1°109.4°
P1CATCBD116.9°109.5°
P1CATHAT1107.0°109.4°
P1CATHAT2107.1°109.5°
CATCBDCAB113.3°109.4°
CATCBDCBA106.2°109.5°
CBDCATHAT1107.1°109.5°
CBDCATHAT2107.1°109.4°
CATCBDHBD107.5°109.4°
CABCBDCBA103.7°109.5°
CABCBDHBD109.8°109.5°
CBDCABHAB1109.5°109.5°
CBDCABHAB2109.5°109.5°
CBDCABHAB3109.4°109.4°
CBDCBAOAH120.3°120.0°
CBDCBAN117.2°120.0°
CBACBDHBD116.5°109.5°
OAHCBAN122.4°120.0°
CBANCA118.4°120.0°
CBANH120.8°120.0°
NCACB109.7°109.5°
NCAC105.1°109.5°
CANH120.8°120.0°
NCAHA112.2°109.4°
CBCAC109.6°109.5°
CBCAHA108.0°109.5°
CACBHB1C109.5°109.5°
CACBHB2C109.5°109.5°
CACBHB3C109.5°109.5°
CACO119.3°120.0°
CACNAD118.0°120.0°
CCAHA112.3°109.5°
OCNAD122.7°120.0°
CNADHAD1120.0°120.0°
CNADHAD2120.0°120.0°
HAS1CASHAS2108.2°109.5°
HAR1CARHAR2108.3°109.5°
HAA1CAAHAA2109.4°109.4°
HAA1CAAHAA3109.4°109.5°
HAA2CAAHAA3109.5°109.5°
HAT1CATHAT2111.7°109.5°
HAB1CABHAB2109.5°109.5°
HAB1CABHAB3109.5°109.4°
HAB2CABHAB3109.5°109.5°
HB1CCBHB2C109.5°109.5°
HB1CCBHB3C109.5°109.4°
HB2CCBHB3C109.5°109.4°
HAD1NADHAD2120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANCAPCBCHAP180.0°179.7°
CAPCANCAMHAN180.0°180.0°
CAPCANCAMCAO0.0°0.1°
CANCAPCBCCAQ2.7°0.0°
CANCAPCBCCAS177.6°180.0°
CAPCANCAMHAM180.0°180.0°
CBCCAPCANCAM1.6°0.0°
CAPCBCCAQCAO2.0°0.1°
CAPCBCCAQCAS174.6°180.0°
CAPCBCCASCBG95.5°86.3°
CBCCAPCANHAN178.4°180.0°
CAPCBCCAQHAQ178.1°180.0°
CAPCBCCASHAS1144.5°153.7°
CAPCBCCASHAS224.5°33.6°
CANCAMCAOHAM180.0°180.0°
CANCAMCAOCAQ0.6°0.0°
CAMCANCAPHAP178.4°179.7°
CANCAMCAOHAO179.4°179.9°
CAMCAOCAQHAO180.0°179.9°
CAMCAOCAQCBC0.4°0.0°
CAOCAMCANHAN180.0°180.0°
CAMCAOCAQHAQ179.6°179.9°
CAOCAQCBCHAQ180.0°179.9°
CAOCAQCBCCAS176.6°180.0°
CAQCAOCAMHAM179.4°180.0°
CAQCBCCASCBG79.3°93.7°
CAQCBCCAPHAP177.3°179.7°
CBCCAQCAOHAO179.6°179.9°
CAQCBCCASHAS140.7°26.3°
CAQCBCCASHAS2160.7°146.3°
CBCCASCBGHAS1120.0°120.0°
CBCCASCBGHAS2120.0°120.0°
CBCCASCBGNAW61.6°65.5°
CBCCASCBGP1179.7°174.5°
CASCBCCAPHAP2.3°0.3°
CASCBCCAQHAQ3.5°0.1°
CBCCASHAS1HAS2121.5°120.0°
CBCCASCBGHBG60.1°54.5°
CASCBGNAWP1122.6°120.0°
CASCBGNAWHBG117.0°120.0°
CASCBGP1HBG117.0°119.9°
CASCBGNAWCBB117.7°135.0°
CASCBGP1O4176.3°175.3°
CASCBGP1O370.6°64.7°
CASCBGP1CAT55.2°55.3°
CBGCASHAS1HAS2121.5°120.0°
CASCBGNAWHAW62.3°45.0°
NAWCBGP1HBG121.7°120.1°
CBGNAWCBBHAW180.0°180.0°
CBGNAWCBBOAI3.4°0.0°
CBGNAWCBBCBF167.4°180.0°
NAWCBGP1O462.4°64.7°
NAWCBGP1O350.7°55.3°
NAWCBGP1CAT176.5°175.3°
NAWCBGCASHAS1178.4°174.5°
NAWCBGCASHAS258.4°54.4°
P1CBGNAWCBB119.7°105.0°
CBGP1O4O3120.9°120.0°
CBGP1O4CAT118.9°120.0°
CBGP1O3CAT122.6°120.0°
CBGP1CATCBD163.5°174.5°
P1CBGCASHAS160.4°54.5°
P1CBGCASHAS259.7°65.6°
P1CBGNAWHAW60.3°75.0°
CBGP1O4HAL120.8°60.0°
CBGP1CATHAT176.5°65.5°
CBGP1CATHAT243.5°54.5°
NAWCBBOAICBF170.9°179.9°
NAWCBBCBFCAR85.3°60.0°
NAWCBBCBFNAU152.1°180.0°
CBBNAWCBGHBG0.7°15.0°
NAWCBBCBFHBF31.1°60.0°
OAICBBCBFCAR103.5°120.0°
OAICBBCBFNAU19.1°0.0°
OAICBBNAWHAW176.7°180.0°
OAICBBCBFHBF140.0°120.0°
CBBCBFCARNAU117.4°120.0°
CBBCBFCARHBF121.7°120.0°
CBBCBFNAUHBF121.8°120.0°
CBBCBFCARCAZ161.2°62.9°
CBBCBFNAUCAX117.0°152.6°
CBFCBBNAWHAW12.6°0.0°
CBBCBFCARHAR178.9°57.1°
CBBCBFCARHAR241.2°177.1°
CBBCBFNAUHAU63.0°27.4°
CARCBFNAUHBF116.4°120.0°
CBFCARCAZHAR1120.0°120.0°
CBFCARCAZHAR2120.0°120.0°
CBFCARCAZOAK66.7°176.2°
CBFCARCAZOAG109.9°3.7°
CARCBFNAUCAX121.2°87.4°
CBFCARHAR1HAR2121.4°120.0°
CARCBFNAUHAU58.8°92.6°
NAUCBFCARCAZ81.4°57.1°
CBFNAUCAXHAU180.0°180.0°
CBFNAUCAXCAA177.8°174.8°
CBFNAUCAXOAE2.6°5.1°
NAUCBFCARHAR138.5°177.0°
NAUCBFCARHAR2158.5°63.0°
CARCAZOAKOAG176.4°179.9°
CAZCARCBFHBF39.5°177.1°
CAZCARHAR1HAR2121.4°120.0°
CARCAZOAKHAK176.3°180.0°
OAKCAZCARHAR1173.3°63.8°
OAKCAZCARHAR253.3°56.2°
OAGCAZCARHAR110.0°116.3°
OAGCAZCARHAR2130.0°123.7°
OAGCAZOAKHAK0.0°0.1°
NAUCAXCAAOAE179.6°180.0°
CAXNAUCBFHBF4.8°32.6°
NAUCAXCAAHAA1179.6°60.0°
NAUCAXCAAHAA260.4°180.0°
NAUCAXCAAHAA359.6°60.0°
CAACAXNAUHAU2.2°5.2°
CAXCAAHAA1HAA2120.0°120.0°
CAXCAAHAA1HAA3120.0°120.0°
CAXCAAHAA2HAA3120.0°120.0°
OAECAXNAUHAU177.4°174.8°
OAECAXCAAHAA10.0°120.0°
OAECAXCAAHAA2120.0°0.0°
OAECAXCAAHAA3120.0°120.0°
O4P1O3CAT118.7°120.0°
O4P1CATCBD75.5°65.5°
O4P1CBGHBG59.3°55.4°
O4P1CATHAT144.5°54.5°
O4P1CATHAT2164.5°174.6°
O3P1CATCBD37.4°54.5°
O3P1CBGHBG172.4°175.4°
O3P1O4HAL0.0°180.0°
O3P1CATHAT1157.4°174.5°
O3P1CATHAT282.7°65.5°
P1CATCBDHAT1120.0°120.0°
P1CATCBDHAT2120.0°120.0°
P1CATCBDCAB154.2°75.0°
P1CATCBDCBA92.6°165.0°
CATP1CBGHBG61.8°64.6°
CATP1O4HAL120.3°60.0°
P1CATHAT1HAT2116.9°120.1°
P1CATCBDHBD32.8°45.0°
CATCBDCABCBA114.6°120.0°
CATCBDCABHBD120.2°119.9°
CATCBDCBAHBD119.6°120.0°
CATCBDCBAOAH24.7°0.0°
CATCBDCBAN159.9°180.0°
CBDCATHAT1HAT2116.9°119.9°
CATCBDCABHAB1180.0°60.0°
CATCBDCABHAB260.0°60.0°
CATCBDCABHAB360.0°180.0°
CABCBDCBAHBD120.7°120.1°
CABCBDCBAOAH94.9°120.0°
CABCBDCBAN80.5°60.0°
CABCBDCATHAT134.2°45.0°
CABCBDCATHAT285.8°165.0°
CBDCABHAB1HAB2120.0°120.1°
CBDCABHAB1HAB3120.0°120.0°
CBDCABHAB2HAB3120.0°120.0°
CBDCBAOAHN175.2°180.0°
CBDCBANCA177.0°180.0°
CBACBDCATHAT1147.4°75.0°
CBACBDCATHAT227.4°45.0°
CBACBDCABHAB165.3°180.0°
CBACBDCABHAB2174.6°60.0°
CBACBDCABHAB354.6°60.0°
CBDCBANH3.0°0.1°
OAHCBANCA1.7°0.1°
OAHCBACBDHBD144.3°120.0°
OAHCBANH178.3°180.0°
CBANCAH180.0°179.9°
CBANCACB174.8°84.9°
CBANCAC67.4°155.0°
NCBACBDHBD40.2°60.1°
CBANCAHA54.9°35.1°
NCACBC114.9°120.0°
NCACBHA122.5°119.9°
NCACHA122.2°119.9°
NCACO22.2°0.0°
NCACNAD156.0°180.0°
NCACBHB1C180.0°60.0°
NCACBHB2C60.0°60.0°
NCACBHB3C60.0°180.0°
CBCACHA119.9°120.0°
CBCACO95.7°120.0°
CBCACNAD86.2°60.0°
CBCANH5.2°95.0°
CACBHB1CHB2C120.0°120.1°
CACBHB1CHB3C120.0°120.0°
CACBHB2CHB3C120.0°120.0°
CACONAD178.0°180.0°
CCANH112.5°25.1°
CCACBHB1C65.0°180.0°
CCACBHB2C174.9°60.0°
CCACBHB3C55.0°60.0°
CACNADHAD1178.1°0.0°
CACNADHAD21.9°179.9°
OCCAHA144.4°120.0°
OCNADHAD10.0°180.0°
OCNADHAD2180.0°0.1°
NADCCAHA33.7°60.0°
CNADHAD1HAD2180.0°179.9°
HAPCAPCANHAN1.6°0.3°
HANCANCAMHAM0.0°0.0°
HAMCAMCAOHAO0.6°0.1°
HAOCAOCAQHAQ0.4°0.0°
HAS1CASCBGHBG59.9°65.5°
HAS2CASCBGHBG179.9°174.4°
HBGCBGNAWHAW179.3°165.0°
HBFCBFCARHAR1159.4°62.9°
HBFCBFCARHAR280.6°57.1°
HBFCBFNAUHAU175.2°147.4°
HAA1CAAHAA2HAA3119.9°120.0°
HAT1CATCBDHBD87.2°165.0°
HAT2CATCBDHBD152.8°75.0°
HBDCBDCABHAB159.9°59.9°
HBDCBDCABHAB260.2°179.9°
HBDCBDCABHAB3179.8°60.1°
HAB1CABHAB2HAB3120.0°120.0°
HNCAHA125.2°145.0°
HACACBHB1C57.5°59.9°
HACACBHB2C62.5°180.0°
HACACBHB3C177.5°60.0°
HB1CCBHB2CHB3C120.0°119.9°

223532

PDB entries from 2024-08-07

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