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WP7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CADCAAsing1.38Å1.39ÅAromatic
CADCAEdoub1.38Å1.41ÅAromatic
CAACABdoub1.38Å1.42ÅAromatic
CABCACsing1.38Å1.40ÅAromatic
CACCAFdoub1.38Å1.42ÅAromatic
CAFCAEsing1.38Å1.41ÅAromatic
CAECANsing1.51Å1.55Å
CANCAMsing1.51Å1.54Å
CANNAOsing1.47Å1.50Å
CAMCALsing1.38Å1.36ÅAromatic
CAMCAZdoub1.40Å1.39ÅAromatic
CALCAKdoub1.39Å1.38ÅAromatic
CAKCLAsing1.74Å1.69Å
CAKCAXsing1.38Å1.40ÅAromatic
CAXCAYdoub1.38Å1.38ÅAromatic
CAYCAZsing1.39Å1.41ÅAromatic
CAZNBAsing1.37Å1.40Å
NBACBBdoub1.30Å1.41Å
CBBCBCsing1.51Å1.57Å
CBBNAOsing1.37Å1.45Å
NAOCAPsing1.47Å1.50Å
CAPCAQsing1.53Å1.54Å
CAQNARsing1.47Å1.46Å
NARCAGsing1.47Å1.50Å
NARCBDsing1.47Å1.47Å
CAGCAHsing1.53Å1.58Å
CAHNASsing1.47Å1.51Å
CBDCBEsing1.53Å1.55Å
CBENASsing1.47Å1.49Å
NASCATsing1.35Å1.36Å
CATOAIdoub1.22Å1.24Å
CATCAUsing1.47Å1.58Å
CAUCBFdoub1.37Å1.33ÅAromatic
CAUOAVsing1.35Å1.37ÅAromatic
CBFCBGsing1.40Å1.34ÅAromatic
CBGCAWdoub1.35Å1.34ÅAromatic
CAWOAVsing1.34Å1.37ÅAromatic
CADHADsing1.08Å1.08Å
CAAHAAsing1.08Å1.08Å
CABHABsing1.08Å1.08Å
CACHACsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CANHANsing1.09Å1.10Å
CALHALsing1.08Å1.08Å
CAXHAXsing1.08Å1.08Å
CAYHAYsing1.08Å1.08Å
CBCHBC1sing1.09Å1.10Å
CBCHBC2sing1.09Å1.10Å
CBCHBC3sing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CAGHAG1sing1.09Å1.10Å
CAGHAG2sing1.09Å1.10Å
CBDHBD1sing1.09Å1.10Å
CBDHBD2sing1.09Å1.10Å
CAHHAH1sing1.09Å1.10Å
CAHHAH2sing1.09Å1.10Å
CBEHBE1sing1.09Å1.10Å
CBEHBE2sing1.09Å1.10Å
CBFHBFsing1.08Å1.08Å
CBGHBGsing1.08Å1.08Å
CAWHAWsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACADCAE120.6°120.0°
CADCAACAB119.8°120.0°
CAACADHAD119.7°120.0°
CADCAAHAA120.1°120.0°
CADCAECAF119.9°120.0°
CADCAECAN120.7°120.0°
CAECADHAD119.7°120.0°
CAACABCAC119.9°120.0°
CABCAAHAA120.1°120.0°
CAACABHAB120.0°120.0°
CABCACCAF120.3°119.9°
CACCABHAB120.1°120.0°
CABCACHAC119.9°120.0°
CACCAFCAE119.5°120.0°
CAFCACHAC119.9°120.0°
CACCAFHAF120.2°119.9°
CAFCAECAN119.3°120.0°
CAECAFHAF120.3°120.1°
CAECANCAM116.2°109.8°
CAECANNAO108.1°109.9°
CAECANHAN106.5°109.8°
CAMCANNAO111.5°107.7°
CANCAMCAL117.1°120.8°
CANCAMCAZ123.8°119.0°
CAMCANHAN102.7°109.8°
CANNAOCBB122.3°118.7°
CANNAOCAP116.5°120.7°
NAOCANHAN111.6°109.8°
CALCAMCAZ119.0°120.2°
CAMCALCAK119.4°119.9°
CAMCALHAL120.3°120.0°
CAMCAZCAY120.7°119.5°
CAMCAZNBA118.9°120.0°
CALCAKCLA113.0°119.9°
CALCAKCAX124.0°120.2°
CAKCALHAL120.3°120.1°
CLACAKCAX122.7°119.9°
CAKCAXCAY115.6°120.2°
CAKCAXHAX122.2°119.9°
CAXCAYCAZ121.0°119.9°
CAYCAXHAX122.2°119.9°
CAXCAYHAY119.5°120.1°
CAYCAZNBA119.8°120.5°
CAZCAYHAY119.5°120.1°
CAZNBACBB123.4°121.1°
NBACBBCBC117.9°119.7°
NBACBBNAO118.6°120.6°
CBCCBBNAO123.5°119.7°
CBBCBCHBC1109.5°109.5°
CBBCBCHBC2109.4°109.5°
CBBCBCHBC3109.5°109.5°
CBBNAOCAP121.2°120.7°
NAOCAPCAQ108.5°109.5°
NAOCAPHAP1109.8°109.5°
NAOCAPHAP2110.0°109.5°
CAPCAQNAR112.3°109.5°
CAQCAPHAP1109.8°109.5°
CAQCAPHAP2110.0°109.5°
CAPCAQHAQ1108.6°109.5°
CAPCAQHAQ2107.9°109.5°
CAQNARCAG117.4°111.0°
CAQNARCBD113.2°111.0°
NARCAQHAQ1108.5°109.5°
NARCAQHAQ2107.9°109.5°
CAGNARCBD113.6°111.3°
NARCAGCAH111.6°109.4°
NARCAGHAG1108.8°109.5°
NARCAGHAG2108.3°109.5°
NARCBDCBE108.4°109.3°
NARCBDHBD1109.8°109.6°
NARCBDHBD2110.1°109.5°
CAGCAHNAS109.3°108.5°
CAHCAGHAG1108.8°109.5°
CAHCAGHAG2108.3°109.5°
CAGCAHHAH1109.5°109.7°
CAGCAHHAH2109.6°109.6°
CAHNASCBE117.2°118.2°
CAHNASCAT121.0°120.9°
NASCAHHAH1109.5°109.6°
NASCAHHAH2109.6°109.6°
CBDCBENAS108.9°108.5°
CBECBDHBD1109.8°109.5°
CBECBDHBD2110.1°109.4°
CBDCBEHBE1109.7°109.6°
CBDCBEHBE2109.8°109.6°
CBENASCAT121.5°120.9°
NASCBEHBE1109.7°109.6°
NASCBEHBE2109.8°109.6°
NASCATOAI116.6°120.0°
NASCATCAU123.5°120.0°
OAICATCAU119.8°120.0°
CATCAUCBF126.8°126.0°
CATCAUOAV125.1°126.0°
CBFCAUOAV108.0°108.0°
CAUCBFCBG108.3°106.7°
CAUCBFHBF125.8°126.7°
CAUOAVCAW107.0°109.4°
CBFCBGCAW109.4°107.1°
CBGCBFHBF125.8°126.6°
CBFCBGHBG125.3°126.4°
CBGCAWOAV107.3°108.8°
CAWCBGHBG125.3°126.4°
CBGCAWHAW126.4°125.7°
OAVCAWHAW126.4°125.6°
HBC1CBCHBC2109.5°109.5°
HBC1CBCHBC3109.4°109.4°
HBC2CBCHBC3109.5°109.4°
HAP1CAPHAP2108.7°109.5°
HAQ1CAQHAQ2111.7°109.4°
HAG1CAGHAG2111.1°109.5°
HBD1CBDHBD2108.7°109.5°
HAH1CAHHAH2109.4°109.8°
HBE1CBEHBE2109.0°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACADCAEHAD180.0°179.8°
CADCAACABHAA180.0°179.9°
CADCAACABCAC1.2°0.0°
CAACADCAECAF0.7°0.1°
CAACADCAECAN176.5°180.0°
CADCAACABHAB178.8°180.0°
CAECADCAACAB1.2°0.0°
CADCAECAFCAC0.1°0.2°
CADCAECAFCAN175.9°179.8°
CADCAECANCAM68.4°100.0°
CADCAECANNAO57.9°141.7°
CAECADCAAHAA178.7°179.9°
CADCAECAFHAF179.9°179.9°
CADCAECANHAN177.9°20.8°
CAACABCACHAB180.0°180.0°
CAACABCACCAF0.7°0.0°
CABCAACADHAD178.8°179.8°
CAACABCACHAC179.3°180.0°
CABCACCAFHAC180.0°180.0°
CABCACCAFCAE0.1°0.1°
CACCABCAAHAA178.7°180.0°
CABCACCAFHAF179.9°180.0°
CACCAFCAEHAF180.0°179.9°
CACCAFCAECAN176.0°180.0°
CAFCACCABHAB179.3°180.0°
CAFCAECANCAM115.7°80.1°
CAFCAECANNAO118.0°38.2°
CAFCAECADHAD179.3°179.7°
CAECAFCACHAC179.9°179.9°
CAFCAECANHAN2.1°159.1°
CAECANCAMNAO124.5°119.6°
CAECANCAMHAN115.8°120.8°
CAECANNAOHAN116.8°120.9°
CAECANCAMCAL69.5°86.6°
CAECANCAMCAZ113.8°93.5°
CAECANNAOCBB120.4°78.3°
CAECANNAOCAP58.8°101.7°
CANCAECADHAD3.5°0.1°
CANCAECAFHAF3.9°0.1°
CAMCANNAOHAN114.3°119.6°
CANCAMCALCAZ176.9°180.0°
CANCAMCALCAK176.7°179.9°
CANCAMCAZCAY174.6°179.9°
CANCAMCAZNBA2.9°0.2°
CAMCANNAOCBB8.5°41.3°
CAMCANNAOCAP172.3°138.7°
CANCAMCALHAL3.3°0.0°
NAOCANCAMCAL166.0°153.8°
NAOCANCAMCAZ10.8°26.1°
CANNAOCBBNBA1.1°30.7°
CANNAOCBBCBC178.0°149.2°
CANNAOCBBCAP179.2°180.0°
CANNAOCAPCAQ96.7°90.0°
CANNAOCAPHAP1143.3°150.0°
CANNAOCAPHAP223.7°29.9°
CAMCALCAKHAL180.0°179.9°
CAMCALCAKCLA176.3°180.0°
CAMCALCAKCAX1.2°0.1°
CALCAMCAZCAY2.0°0.2°
CALCAMCAZNBA173.7°179.7°
CALCAMCANHAN46.3°34.2°
CAZCAMCALCAK0.2°0.2°
CAMCAZCAYCAX5.0°0.1°
CAMCAZCAYNBA171.6°179.9°
CAMCAZNBACBB8.5°15.2°
CAZCAMCANHAN130.5°145.7°
CAZCAMCALHAL179.8°179.9°
CAMCAZCAYHAY175.0°179.9°
CALCAKCLACAX175.1°180.0°
CALCAKCAXCAY3.9°0.0°
CALCAKCAXHAX176.1°180.0°
CLACAKCAXCAY178.5°180.0°
CLACAKCALHAL3.7°0.0°
CLACAKCAXHAX1.5°0.1°
CAKCAXCAYHAX180.0°180.0°
CAKCAXCAYCAZ5.6°0.0°
CAXCAKCALHAL178.8°180.0°
CAKCAXCAYHAY174.4°179.9°
CAXCAYCAZHAY180.0°180.0°
CAXCAYCAZNBA176.6°179.8°
CAYCAZNBACBB163.3°164.7°
CAZCAYCAXHAX174.4°180.0°
CAZNBACBBCBC168.6°180.0°
CAZNBACBBNAO10.5°0.1°
NBACAZCAYHAY3.4°0.3°
NBACBBCBCNAO179.1°179.9°
NBACBBNAOCAP178.1°149.3°
NBACBBCBCHBC169.6°0.0°
NBACBBCBCHBC2170.4°120.0°
NBACBBCBCHBC350.4°120.0°
CBCCBBNAOCAP2.9°30.8°
CBBCBCHBC1HBC2120.0°120.1°
CBBCBCHBC1HBC3120.0°120.0°
CBBCBCHBC2HBC3120.0°120.0°
CBBNAOCAPCAQ84.1°90.0°
CBBNAOCANHAN122.8°160.8°
NAOCBBCBCHBC1111.3°179.9°
NAOCBBCBCHBC28.7°59.9°
NAOCBBCBCHBC3128.7°60.1°
CBBNAOCAPHAP135.9°30.0°
CBBNAOCAPHAP2155.5°150.0°
NAOCAPCAQHAP1120.0°120.0°
NAOCAPCAQHAP2120.4°120.0°
NAOCAPCAQNAR165.5°180.0°
CAPNAOCANHAN58.0°19.2°
NAOCAPHAP1HAP2120.4°120.0°
NAOCAPCAQHAQ174.5°60.0°
NAOCAPCAQHAQ246.7°60.0°
CAPCAQNARHAQ1120.0°120.0°
CAPCAQNARHAQ2118.8°120.0°
CAPCAQNARCAG54.6°170.0°
CAPCAQNARCBD80.8°65.7°
CAQCAPHAP1HAP2120.4°120.0°
CAPCAQHAQ1HAQ2118.8°120.0°
CAQNARCAGCBD135.3°124.2°
CAQNARCAGCAH168.7°172.7°
CAQNARCBDCBE160.9°172.7°
NARCAQCAPHAP145.5°60.0°
NARCAQCAPHAP274.1°60.0°
NARCAQHAQ1HAQ2118.8°120.0°
CAQNARCAGHAG171.3°67.3°
CAQNARCAGHAG249.6°52.7°
CAQNARCBDHBD140.9°52.7°
CAQNARCBDHBD278.7°67.4°
NARCAGCAHHAG1120.0°120.0°
NARCAGCAHHAG2119.1°120.0°
NARCAGCAHNAS45.6°53.8°
CAGNARCBDCBE61.9°63.1°
CAGNARCAQHAQ165.4°70.0°
CAGNARCAQHAQ2173.4°49.9°
NARCAGHAG1HAG2119.1°120.0°
CAGNARCBDHBD1178.1°176.9°
CAGNARCBDHBD258.5°56.8°
NARCAGCAHHAH1165.5°173.5°
NARCAGCAHHAH274.5°65.9°
CBDNARCAGCAH56.1°63.1°
NARCBDCBEHBD1120.0°120.0°
NARCBDCBEHBD2120.4°119.9°
NARCBDCBENAS58.6°53.8°
CBDNARCAQHAQ1159.1°54.3°
CBDNARCAQHAQ238.0°174.3°
CBDNARCAGHAG163.9°56.9°
CBDNARCAGHAG2175.2°176.9°
NARCBDHBD1HBD2120.4°120.1°
NARCBDCBEHBE161.5°65.9°
NARCBDCBEHBE2178.8°173.5°
CAGCAHNASHAH1120.0°119.8°
CAGCAHNASHAH2120.1°119.7°
CAGCAHNASCBE48.1°51.1°
CAGCAHNASCAT125.5°128.8°
CAHCAGHAG1HAG2119.1°120.1°
CAGCAHHAH1HAH2120.1°120.5°
CAHNASCBECBD55.0°51.2°
CAHNASCBECAT173.6°179.9°
CAHNASCATOAI5.0°176.2°
CAHNASCATCAU178.8°3.7°
NASCAHCAGHAG174.4°66.2°
NASCAHCAGHAG2164.7°173.8°
NASCAHHAH1HAH2120.1°120.5°
CAHNASCBEHBE165.0°68.5°
CAHNASCBEHBE2175.3°170.9°
CBDCBENASHBE1120.0°119.7°
CBDCBENASHBE2120.2°119.7°
CBDCBENASCAT118.6°128.8°
CBECBDHBD1HBD2120.4°120.0°
CBDCBEHBE1HBE2120.2°120.5°
CBENASCATOAI178.4°3.9°
CBENASCATCAU5.4°176.2°
NASCBECBDHBD1178.6°173.8°
NASCBECBDHBD261.9°66.1°
CBENASCAHHAH1168.1°170.9°
CBENASCAHHAH271.9°68.5°
NASCBEHBE1HBE2120.3°120.5°
NASCATOAICAU176.3°179.9°
NASCATCAUCBF41.3°173.2°
NASCATCAUOAV137.6°6.5°
CATNASCAHHAH15.5°9.0°
CATNASCAHHAH2114.4°111.5°
CATNASCBEHBE1121.4°111.6°
CATNASCBEHBE21.7°9.0°
OAICATCAUCBF142.6°6.9°
OAICATCAUOAV38.5°173.4°
CATCAUCBFOAV179.1°179.8°
CATCAUCBFCBG179.4°180.0°
CATCAUOAVCAW179.5°179.9°
CATCAUCBFHBF0.6°0.0°
CAUCBFCBGHBF180.0°180.0°
CAUCBFCBGCAW0.1°0.0°
CBFCAUOAVCAW0.4°0.4°
CAUCBFCBGHBG179.9°180.0°
OAVCAUCBFCBG0.3°0.2°
CAUOAVCAWCBG0.3°0.4°
OAVCAUCBFHBF179.6°179.8°
CAUOAVCAWHAW179.7°179.8°
CBFCBGCAWHBG180.0°180.0°
CBFCBGCAWOAV0.1°0.2°
CBFCBGCAWHAW179.9°180.0°
CBGCAWOAVHAW180.0°179.8°
CAWCBGCBFHBF179.8°180.0°
OAVCAWCBGHBG179.8°179.8°
HADCADCAAHAA1.2°0.3°
HAACAACABHAB1.3°0.0°
HABCABCACHAC0.7°0.0°
HACCACCAFHAF0.1°0.0°
HAXCAXCAYHAY5.6°0.0°
HBC1CBCHBC2HBC3120.0°119.9°
HAP1CAPCAQHAQ1165.5°180.0°
HAP1CAPCAQHAQ273.3°60.0°
HAP2CAPCAQHAQ145.9°60.0°
HAP2CAPCAQHAQ2167.1°180.0°
HAG1CAGCAHHAH145.5°53.5°
HAG1CAGCAHHAH2165.5°174.1°
HAG2CAGCAHHAH175.4°66.5°
HAG2CAGCAHHAH244.6°54.1°
HBD1CBDCBEHBE158.5°54.1°
HBD1CBDCBEHBE261.2°66.5°
HBD2CBDCBEHBE1178.1°174.2°
HBD2CBDCBEHBE258.4°53.6°
HBFCBFCBGHBG0.1°0.0°
HBGCBGCAWHAW0.2°0.0°

221051

PDB entries from 2024-06-12

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