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H86

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAFPBIdoub1.48Å1.61Å
OAGPBIsing1.61Å1.61Å
PBIOACsing1.61Å1.48Å
PBICBFsing1.82Å1.84Å
OABPBHdoub1.48Å1.48Å
OADPBHsing1.61Å1.61Å
CBFPBHsing1.82Å1.84Å
CBFCAYsing1.53Å1.53Å
PBHOAEsing1.61Å1.61Å
CAYNBGsing1.46Å1.48Å
NBGCANdoub1.32Å1.40ÅAromatic
NBGCAOsing1.32Å1.40ÅAromatic
CANCBCsing1.39Å1.39ÅAromatic
CAXCAWsing1.53Å1.53Å
CAXOAZsing1.43Å1.43Å
CAWCAVsing1.53Å1.53Å
CAUCATsing1.53Å1.53Å
CAUCAVsing1.53Å1.53Å
CATCASsing1.53Å1.53Å
CAOCBEdoub1.39Å1.39ÅAromatic
CBCOAZsing1.36Å1.36Å
CBCCAMdoub1.39Å1.39ÅAromatic
CASCARsing1.53Å1.53Å
CARCAQsing1.53Å1.53Å
CBECAMsing1.40Å1.39ÅAromatic
CBECBDsing1.48Å1.39ÅAromatic
CAQCAPsing1.53Å1.53Å
CAPCAAsing1.53Å1.53Å
CBDCAKdoub1.39Å1.39ÅAromatic
CBDCALsing1.39Å1.39ÅAromatic
CAKCBAsing1.38Å1.39ÅAromatic
CALCBBdoub1.38Å1.39ÅAromatic
CBAFAHsing1.35Å1.35Å
CBACAJdoub1.39Å1.39ÅAromatic
CBBCAJsing1.39Å1.39ÅAromatic
CBBFAIsing1.35Å1.35Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CATHAT1sing1.09Å1.10Å
CATHAT2sing1.09Å1.10Å
CAUHAU1sing1.09Å1.10Å
CAUHAU2sing1.09Å1.10Å
CAVHAV1sing1.09Å1.10Å
CAVHAV2sing1.09Å1.10Å
CAWHAW1sing1.09Å1.10Å
CAWHAW2sing1.09Å1.10Å
CAXHAX1sing1.09Å1.10Å
CAXHAX2sing1.09Å1.10Å
CAMHAMsing1.08Å1.08Å
CANHANsing1.08Å1.08Å
CAYHAY1sing1.09Å1.10Å
CAYHAY2sing1.09Å1.10Å
CBFHBFsing1.09Å1.10Å
OAGHOAGsing0.97Å0.95Å
OACHOACsing0.97Å0.95Å
OADHOADsing0.97Å0.95Å
OAEHOAEsing0.97Å0.95Å
CAOHAOsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAFPBIOAG105.7°109.4°
OAFPBIOAC112.8°109.5°
OAFPBICBF106.5°109.5°
OAGPBIOAC113.6°109.5°
OAGPBICBF107.6°109.5°
PBIOAGHOAG109.5°114.0°
OACPBICBF110.3°109.5°
PBIOACHOAC109.5°114.0°
PBICBFPBH109.5°109.5°
PBICBFCAY110.6°109.4°
PBICBFHBF109.7°109.5°
OABPBHOAD113.0°109.5°
OABPBHCBF110.3°109.5°
OABPBHOAE112.4°109.4°
OADPBHCBF109.1°109.5°
OADPBHOAE103.9°109.5°
PBHOADHOAD109.5°114.0°
PBHCBFCAY112.5°109.5°
CBFPBHOAE107.9°109.5°
PBHCBFHBF107.8°109.5°
CBFCAYNBG112.7°109.5°
CBFCAYHAY1108.4°109.5°
CBFCAYHAY2107.7°109.5°
CAYCBFHBF106.6°109.5°
PBHOAEHOAE109.5°114.0°
CAYNBGCAN120.6°119.0°
CAYNBGCAO119.4°119.1°
NBGCAYHAY1108.4°109.5°
NBGCAYHAY2107.7°109.5°
CANNBGCAO120.0°121.9°
NBGCANCBC119.7°121.0°
NBGCANHAN120.2°119.5°
NBGCAOCBE119.7°120.8°
NBGCAOHAO120.1°119.6°
CANCBCOAZ121.2°120.5°
CANCBCCAM120.2°119.2°
CBCCANHAN120.2°119.5°
CAWCAXOAZ107.6°109.5°
CAXCAWCAV111.6°109.5°
CAXCAWHAW1108.8°109.5°
CAXCAWHAW2108.3°109.5°
CAWCAXHAX1110.1°109.5°
CAWCAXHAX2110.5°109.4°
CAXOAZCBC110.6°117.0°
OAZCAXHAX1110.1°109.5°
OAZCAXHAX2110.5°109.5°
CAWCAVCAU110.9°109.5°
CAWCAVHAV1109.0°109.5°
CAWCAVHAV2108.7°109.4°
CAVCAWHAW1108.8°109.5°
CAVCAWHAW2108.3°109.5°
CATCAUCAV109.7°109.5°
CAUCATCAS111.0°109.5°
CAUCATHAT1109.0°109.5°
CAUCATHAT2108.6°109.5°
CATCAUHAU1109.4°109.5°
CATCAUHAU2109.3°109.5°
CAVCAUHAU1109.4°109.5°
CAVCAUHAU2109.3°109.5°
CAUCAVHAV1109.0°109.5°
CAUCAVHAV2108.7°109.5°
CATCASCAR110.5°109.5°
CATCASHAS1109.2°109.5°
CATCASHAS2108.9°109.4°
CASCATHAT1108.9°109.5°
CASCATHAT2108.6°109.5°
CAOCBECAM120.2°118.9°
CAOCBECBD119.8°120.5°
CBECAOHAO120.2°119.6°
OAZCBCCAM118.5°120.4°
CBCCAMCBE120.2°118.3°
CBCCAMHAM119.9°120.9°
CASCARCAQ111.2°109.5°
CASCARHAR1108.9°109.4°
CASCARHAR2108.5°109.4°
CARCASHAS1109.1°109.5°
CARCASHAS2108.9°109.5°
CARCAQCAP110.9°109.5°
CARCAQHAQ1109.0°109.4°
CARCAQHAQ2108.7°109.5°
CAQCARHAR1108.9°109.5°
CAQCARHAR2108.5°109.5°
CAMCBECBD119.8°120.5°
CBECAMHAM119.9°120.8°
CBECBDCAK118.8°120.1°
CBECBDCAL120.5°120.1°
CAQCAPCAA111.1°109.5°
CAQCAPHAP1108.9°109.5°
CAQCAPHAP2108.6°109.5°
CAPCAQHAQ1109.0°109.5°
CAPCAQHAQ2108.6°109.5°
CAPCAAHAA1109.5°109.5°
CAPCAAHAA2109.5°109.5°
CAPCAAHAA3109.4°109.5°
CAACAPHAP1108.9°109.5°
CAACAPHAP2108.5°109.4°
CAKCBDCAL120.4°119.8°
CBDCAKCBA119.8°119.9°
CBDCAKHAK120.1°120.1°
CBDCALCBB119.4°119.9°
CBDCALHAL120.3°120.0°
CAKCBAFAH119.8°119.9°
CAKCBACAJ120.1°120.1°
CBACAKHAK120.1°120.1°
CALCBBCAJ120.4°120.1°
CALCBBFAI120.1°120.0°
CBBCALHAL120.3°120.1°
FAHCBACAJ120.1°119.9°
CBACAJCBB119.8°120.1°
CBACAJHAJ120.1°119.9°
CAJCBBFAI119.4°119.9°
CBBCAJHAJ120.1°120.0°
HAA1CAAHAA2109.5°109.5°
HAA1CAAHAA3109.4°109.5°
HAA2CAAHAA3109.5°109.5°
HAP1CAPHAP2110.8°109.5°
HAQ1CAQHAQ2110.6°109.5°
HAR1CARHAR2110.8°109.5°
HAS1CASHAS2110.2°109.5°
HAT1CATHAT2110.7°109.5°
HAU1CAUHAU2109.7°109.5°
HAV1CAVHAV2110.6°109.5°
HAW1CAWHAW2111.2°109.5°
HAX1CAXHAX2108.0°109.5°
HAY1CAYHAY2112.0°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAFPBIOAGOAC124.1°120.0°
OAFPBIOAGCBF113.4°119.9°
OAFPBIOACCBF118.9°120.0°
OAFPBICBFPBH46.0°60.0°
OAFPBICBFCAY170.5°60.1°
OAFPBICBFHBF72.1°180.0°
OAFPBIOAGHOAG29.3°60.1°
OAFPBIOACHOAC39.8°180.0°
OAGPBIOACCBF120.9°120.0°
OAGPBICBFPBH158.9°60.0°
OAGPBICBFCAY76.6°180.0°
OAGPBICBFHBF40.8°60.0°
OAGPBIOACHOAC80.3°60.0°
OACPBICBFPBH76.6°180.0°
OACPBICBFCAY47.9°60.0°
OACPBICBFHBF165.2°60.0°
OACPBIOAGHOAG94.9°60.0°
PBICBFPBHOAB71.2°60.2°
PBICBFPBHOAD53.4°179.7°
PBICBFPBHCAY123.4°120.0°
PBICBFPBHHBF119.3°120.0°
PBICBFCAYHBF119.3°120.0°
PBICBFPBHOAE165.6°59.8°
PBICBFCAYNBG165.9°65.9°
PBICBFCAYHAY174.1°54.1°
PBICBFCAYHAY247.2°174.0°
CBFPBIOAGHOAG142.7°180.0°
CBFPBIOACHOAC158.7°60.0°
OABPBHOADCBF123.0°120.0°
OABPBHOADOAE122.1°120.0°
OABPBHCBFOAE123.1°120.0°
OABPBHCBFCAY165.4°59.8°
OABPBHCBFHBF48.1°179.8°
OABPBHOADHOAD34.3°53.8°
OABPBHOAEHOAE124.3°60.0°
OADPBHCBFOAE112.3°120.0°
OADPBHCBFCAY70.0°60.3°
OADPBHCBFHBF172.7°59.7°
OADPBHOAEHOAE113.3°180.0°
PBHCBFCAYHBF117.9°120.0°
PBHCBFCAYNBG71.3°174.0°
PBHCBFCAYHAY148.7°66.0°
PBHCBFCAYHAY2170.0°54.0°
CBFPBHOADHOAD88.8°66.2°
CBFPBHOAEHOAE2.4°60.0°
CAYCBFPBHOAE42.2°179.7°
CBFCAYNBGHAY1120.0°120.0°
CBFCAYNBGHAY2118.6°120.0°
CBFCAYNBGCAN62.4°82.0°
CBFCAYNBGCAO120.7°97.9°
CBFCAYHAY1HAY2118.7°120.0°
OAEPBHCBFHBF75.0°60.3°
OAEPBHOADHOAD156.3°173.8°
CAYNBGCANCAO176.9°179.9°
CAYNBGCANCBC177.3°180.0°
CAYNBGCAOCBE176.7°179.8°
CAYNBGCANHAN2.7°0.1°
NBGCAYHAY1HAY2118.7°120.0°
NBGCAYCBFHBF46.6°54.0°
CAYNBGCAOHAO3.3°0.1°
NBGCANCBCHAN180.0°179.9°
CANNBGCAOCBE0.2°0.3°
NBGCANCBCOAZ177.3°180.0°
NBGCANCBCCAM0.3°0.2°
CANNBGCAYHAY1177.6°158.0°
CANNBGCAYHAY256.2°38.1°
CANNBGCAOHAO179.8°180.0°
CAONBGCANCBC0.4°0.1°
NBGCAOCBEHAO180.0°179.7°
NBGCAOCBECAM0.9°0.3°
NBGCAOCBECBD174.1°180.0°
CAONBGCANHAN179.6°180.0°
CAONBGCAYHAY10.7°22.1°
CAONBGCAYHAY2120.7°142.0°
CANCBCOAZCAX24.3°179.7°
CANCBCOAZCAM177.0°179.7°
CANCBCCAMCBE0.4°0.3°
CANCBCCAMHAM179.6°179.8°
CAWCAXOAZHAX1120.0°120.0°
CAWCAXOAZHAX2120.8°120.0°
CAXCAWCAVHAW1120.0°120.0°
CAXCAWCAVHAW2119.1°120.0°
CAXCAWCAVCAU56.6°NaN°
CAWCAXOAZCBC166.2°180.0°
CAXCAWCAVHAV1176.6°60.0°
CAXCAWCAVHAV262.8°60.0°
CAXCAWHAW1HAW2119.1°120.0°
CAWCAXHAX1HAX2120.8°120.0°
OAZCAXCAWCAV57.8°180.0°
CAXOAZCBCCAM158.7°0.0°
OAZCAXCAWHAW1177.7°60.0°
OAZCAXCAWHAW261.4°60.0°
OAZCAXHAX1HAX2120.8°120.0°
CAWCAVCAUCAT133.8°180.0°
CAWCAVCAUHAV1120.0°120.0°
CAWCAVCAUHAV2119.4°120.0°
CAWCAVCAUHAU113.8°60.0°
CAWCAVCAUHAU2106.3°60.0°
CAWCAVHAV1HAV2119.4°119.9°
CAVCAWHAW1HAW2119.2°120.0°
CAVCAWCAXHAX1177.8°60.0°
CAVCAWCAXHAX263.0°60.0°
CATCAUCAVHAU1120.0°120.0°
CATCAUCAVHAU2119.9°120.0°
CAUCATCASHAT1120.0°120.0°
CAUCATCASHAT2119.3°120.0°
CAUCATCASCAR179.2°180.0°
CAUCATCASHAS160.8°60.0°
CAUCATCASHAS259.6°60.0°
CAUCATHAT1HAT2119.4°120.0°
CATCAUHAU1HAU2119.9°120.0°
CATCAUCAVHAV113.8°60.0°
CATCAUCAVHAV2106.8°60.0°
CAVCAUCATCAS46.5°180.0°
CAVCAUCATHAT1166.5°60.0°
CAVCAUCATHAT272.9°60.0°
CAVCAUHAU1HAU2119.9°120.0°
CAUCAVHAV1HAV2119.4°120.0°
CAUCAVCAWHAW163.3°60.0°
CAUCAVCAWHAW2175.7°60.0°
CATCASCARHAS1120.0°120.0°
CATCASCARHAS2119.6°120.0°
CATCASCARCAQ171.4°180.0°
CATCASCARHAR168.6°60.0°
CATCASCARHAR252.1°60.0°
CATCASHAS1HAS2119.6°120.0°
CASCATHAT1HAT2119.4°120.0°
CASCATCAUHAU1166.5°60.0°
CASCATCAUHAU273.4°60.0°
CAOCBECAMCBC1.1°0.1°
CAOCBECAMCBD175.1°179.8°
CAOCBECBDCAK29.5°180.0°
CAOCBECBDCAL155.9°0.3°
CAOCBECAMHAM178.9°179.9°
OAZCBCCAMCBE176.6°180.0°
CBCOAZCAXHAX146.2°60.0°
CBCOAZCAXHAX273.0°60.0°
OAZCBCCAMHAM3.4°0.1°
OAZCBCCANHAN2.7°0.1°
CBCCAMCBEHAM180.0°179.9°
CBCCAMCBECBD174.0°179.7°
CAMCBCCANHAN179.7°179.7°
CASCARCAQHAR1120.0°119.9°
CASCARCAQHAR2119.3°120.0°
CASCARCAQCAP178.5°180.0°
CASCARCAQHAQ161.5°60.0°
CASCARCAQHAQ259.1°60.0°
CASCARHAR1HAR2119.3°119.9°
CARCASHAS1HAS2119.6°120.0°
CARCASCATHAT159.1°60.0°
CARCASCATHAT261.5°60.0°
CARCAQCAPHAQ1120.0°119.9°
CARCAQCAPHAQ2119.4°120.0°
CARCAQCAPCAA67.5°180.0°
CARCAQCAPHAP152.5°60.0°
CARCAQCAPHAP2173.2°60.0°
CARCAQHAQ1HAQ2119.4°120.0°
CAQCARHAR1HAR2119.3°120.1°
CAQCARCASHAS151.4°60.0°
CAQCARCASHAS269.0°60.0°
CAMCBECBDCAK145.6°0.2°
CAMCBECBDCAL29.0°179.9°
CAMCBECAOHAO179.1°179.9°
CBECBDCAKCAL174.6°179.7°
CBECBDCAKCBA174.0°180.0°
CBECBDCALCBB174.1°179.7°
CBDCBECAMHAM6.0°0.1°
CBDCBECAOHAO5.9°0.3°
CBECBDCAKHAK6.0°0.0°
CBECBDCALHAL5.9°0.0°
CAQCAPCAAHAP1120.0°120.0°
CAQCAPCAAHAP2119.3°120.0°
CAQCAPCAAHAA195.0°60.0°
CAQCAPCAAHAA2145.0°60.0°
CAQCAPCAAHAA324.9°180.0°
CAQCAPHAP1HAP2119.4°120.0°
CAPCAQHAQ1HAQ2119.4°120.0°
CAPCAQCARHAR158.5°60.1°
CAPCAQCARHAR262.2°60.0°
CAPCAAHAA1HAA2120.0°120.0°
CAPCAAHAA1HAA3120.0°120.0°
CAPCAAHAA2HAA3120.0°120.0°
CAACAPHAP1HAP2119.3°120.0°
CAACAPCAQHAQ1172.5°60.0°
CAACAPCAQHAQ251.9°60.0°
CBDCAKCBAHAK180.0°180.0°
CAKCBDCALCBB0.3°0.6°
CBDCAKCBAFAH177.5°180.0°
CBDCAKCBACAJ0.5°0.0°
CAKCBDCALHAL179.6°179.7°
CALCBDCAKCBA0.6°0.3°
CBDCALCBBHAL180.0°179.7°
CBDCALCBBCAJ0.1°0.6°
CBDCALCBBFAI178.4°179.8°
CALCBDCAKHAK179.4°179.7°
CAKCBAFAHCAJ178.1°180.0°
CAKCBACAJCBB0.3°0.0°
CAKCBACAJHAJ179.8°179.9°
CALCBBCAJCBA0.0°0.3°
CALCBBCAJFAI178.5°179.6°
CALCBBCAJHAJ180.0°179.8°
FAHCBACAJCBB177.8°179.9°
FAHCBACAKHAK2.4°0.1°
FAHCBACAJHAJ2.2°0.0°
CBACAJCBBHAJ180.0°179.9°
CBACAJCBBFAI178.5°180.0°
CAJCBACAKHAK179.5°180.0°
CAJCBBCALHAL179.9°179.7°
FAICBBCAJHAJ1.5°0.1°
FAICBBCALHAL1.6°0.1°
HAA1CAAHAA2HAA3120.0°120.0°
HAA1CAACAPHAP125.0°60.0°
HAA1CAACAPHAP2145.7°180.0°
HAA2CAACAPHAP195.0°180.0°
HAA2CAACAPHAP225.6°60.0°
HAA3CAACAPHAP1144.9°60.0°
HAA3CAACAPHAP294.4°60.0°
HAP1CAPCAQHAQ167.5°180.0°
HAP1CAPCAQHAQ2171.9°60.0°
HAP2CAPCAQHAQ153.2°59.9°
HAP2CAPCAQHAQ267.4°180.0°
HAQ1CAQCARHAR1178.4°180.0°
HAQ1CAQCARHAR257.8°60.0°
HAQ2CAQCARHAR160.9°60.0°
HAQ2CAQCARHAR2178.4°180.0°
HAR1CARCASHAS1171.4°180.0°
HAR1CARCASHAS251.0°60.0°
HAR2CARCASHAS167.9°60.0°
HAR2CARCASHAS2171.7°179.9°
HAS1CASCATHAT1179.1°NaN°
HAS1CASCATHAT258.5°60.0°
HAS2CASCATHAT160.4°60.0°
HAS2CASCATHAT2178.9°180.0°
HAT1CATCAUHAU173.6°180.0°
HAT1CATCAUHAU246.6°60.0°
HAT2CATCAUHAU147.1°60.0°
HAT2CATCAUHAU2167.2°180.0°
HAU1CAUCAVHAV1106.2°180.0°
HAU1CAUCAVHAV2133.2°60.0°
HAU2CAUCAVHAV1133.7°60.0°
HAU2CAUCAVHAV213.1°180.0°
HAV1CAVCAWHAW156.7°NaN°
HAV1CAVCAWHAW264.3°60.0°
HAV2CAVCAWHAW1177.2°60.0°
HAV2CAVCAWHAW256.3°180.0°
HAW1CAWCAXHAX162.3°180.0°
HAW1CAWCAXHAX257.0°60.0°
HAW2CAWCAXHAX158.6°60.0°
HAW2CAWCAXHAX2177.9°180.0°
HAY1CAYCBFHBF166.6°174.1°
HAY2CAYCBFHBF72.0°66.0°

248636

PDB entries from 2026-02-04

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