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XMQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAPCANsing1.53Å1.54Å
CAPNBBsing1.47Å1.53Å
CANNBAsing1.47Å1.47Å
NBACACsing1.47Å1.49Å
NBACAOsing1.47Å1.46Å
CAOCAQsing1.53Å1.48Å
CAQNBBsing1.47Å1.49Å
NBBCAMsing1.47Å1.45Å
CAMCAKsing1.53Å1.51Å
CAKCALsing1.53Å1.55Å
CALCAUsing1.51Å1.54Å
CAUCAJsing1.38Å1.38ÅAromatic
CAUCAIdoub1.38Å1.40ÅAromatic
CAJCAWdoub1.38Å1.38ÅAromatic
CAWCLHsing1.74Å1.72Å
CAWCAZsing1.38Å1.41ÅAromatic
CAICAVsing1.38Å1.42ÅAromatic
CAVCLGsing1.74Å1.74Å
CAVCAZdoub1.38Å1.40ÅAromatic
CAZSBDsing1.76Å1.85Å
SBDOAEdoub1.42Å1.51Å
SBDOAFdoub1.42Å1.49Å
SBDNASsing1.66Å1.67Å
NASCAYsing1.41Å1.37Å
CAYCAXdoub1.36Å1.40ÅAromatic
CAYCATsing1.40Å1.41ÅAromatic
CAXCABsing1.51Å1.54Å
CAXNBCsing1.36Å1.35ÅAromatic
NBCCADsing1.47Å1.47Å
NBCNARsing1.40Å1.23ÅAromatic
NARCATdoub1.31Å1.36ÅAromatic
CATCAAsing1.51Å1.56Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
CACHAC1sing1.09Å1.10Å
CACHAC2sing1.09Å1.10Å
CACHAC3sing1.09Å1.10Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CAMHAM1sing1.09Å1.10Å
CAMHAM2sing1.09Å1.10Å
CAKHAK1sing1.09Å1.10Å
CAKHAK2sing1.09Å1.10Å
CALHAL1sing1.09Å1.10Å
CALHAL2sing1.09Å1.10Å
CAJHAJsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
NASHASsing0.97Å1.00Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
CADHAD1sing1.09Å1.10Å
CADHAD2sing1.09Å1.10Å
CADHAD3sing1.09Å1.10Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANCAPNBB115.9°109.4°
CAPCANNBA112.0°109.3°
CANCAPHAP1107.8°109.5°
CANCAPHAP2107.9°109.4°
CAPCANHAN1108.8°109.5°
CAPCANHAN2108.8°109.5°
CAPNBBCAQ114.9°110.9°
CAPNBBCAM111.8°111.0°
NBBCAPHAP1107.8°109.5°
NBBCAPHAP2107.8°109.5°
CANNBACAC109.1°111.0°
CANNBACAO108.5°110.9°
NBACANHAN1108.9°109.4°
NBACANHAN2108.8°109.5°
CACNBACAO108.3°111.0°
NBACACHAC1109.5°109.5°
NBACACHAC2109.5°109.5°
NBACACHAC3109.5°109.5°
NBACAOCAQ107.5°109.4°
NBACAOHAO1110.0°109.5°
NBACAOHAO2110.0°109.5°
CAOCAQNBB111.7°109.4°
CAQCAOHAO1110.0°109.5°
CAQCAOHAO2110.0°109.5°
CAOCAQHAQ1108.9°109.4°
CAOCAQHAQ2108.9°109.5°
CAQNBBCAM111.1°111.0°
NBBCAQHAQ1108.9°109.5°
NBBCAQHAQ2108.9°109.5°
NBBCAMCAK105.5°109.5°
NBBCAMHAM1110.4°109.4°
NBBCAMHAM2110.4°109.5°
CAMCAKCAL114.3°109.5°
CAKCAMHAM1110.5°109.5°
CAKCAMHAM2110.5°109.5°
CAMCAKHAK1108.3°109.5°
CAMCAKHAK2108.3°109.5°
CAKCALCAU103.7°109.5°
CALCAKHAK1108.2°109.5°
CALCAKHAK2108.3°109.5°
CAKCALHAL1110.9°109.5°
CAKCALHAL2110.9°109.5°
CALCAUCAJ118.4°120.0°
CALCAUCAI121.9°120.0°
CAUCALHAL1110.9°109.5°
CAUCALHAL2110.9°109.4°
CAJCAUCAI119.7°120.0°
CAUCAJCAW122.3°120.1°
CAUCAJHAJ118.8°120.0°
CAUCAICAV117.9°120.0°
CAUCAIHAI121.1°120.0°
CAJCAWCLH116.0°120.1°
CAJCAWCAZ120.2°120.0°
CAWCAJHAJ118.9°120.0°
CLHCAWCAZ123.8°120.0°
CAWCAZCAV117.2°120.0°
CAWCAZSBD123.1°120.0°
CAICAVCLG116.0°120.0°
CAICAVCAZ122.7°120.0°
CAVCAIHAI121.0°120.0°
CLGCAVCAZ121.3°120.0°
CAVCAZSBD119.4°120.0°
CAZSBDOAE105.8°106.4°
CAZSBDOAF111.7°106.4°
CAZSBDNAS108.0°107.3°
OAESBDOAF117.3°123.1°
OAESBDNAS111.8°106.4°
OAFSBDNAS102.1°106.4°
SBDNASCAY123.2°120.0°
SBDNASHAS106.0°120.0°
NASCAYCAX129.6°126.0°
NASCAYCAT127.9°126.1°
CAYNASHAS105.9°120.0°
CAXCAYCAT102.4°107.9°
CAYCAXCAB128.4°126.2°
CAYCAXNBC107.1°107.5°
CAYCATNAR109.2°108.4°
CAYCATCAA128.7°125.8°
CABCAXNBC124.6°126.3°
CAXCABHAB1109.5°109.5°
CAXCABHAB2109.5°109.5°
CAXCABHAB3109.5°109.6°
CAXNBCCAD128.4°126.1°
CAXNBCNAR112.9°107.9°
CADNBCNAR118.7°126.1°
NBCCADHAD1109.5°109.4°
NBCCADHAD2109.4°109.5°
NBCCADHAD3109.4°109.5°
NBCNARCAT108.4°108.4°
NARCATCAA122.1°125.8°
CATCAAHAA1109.5°109.5°
CATCAAHAA2109.5°109.5°
CATCAAHAA3109.4°109.5°
HAP1CAPHAP2109.5°109.5°
HAN1CANHAN2109.5°109.5°
HAC1CACHAC2109.4°109.4°
HAC1CACHAC3109.5°109.5°
HAC2CACHAC3109.5°109.5°
HAO1CAOHAO2109.4°109.5°
HAQ1CAQHAQ2109.5°109.5°
HAM1CAMHAM2109.5°109.5°
HAK1CAKHAK2109.5°109.5°
HAL1CALHAL2109.5°109.5°
HAB1CABHAB2109.5°109.4°
HAB1CABHAB3109.5°109.4°
HAB2CABHAB3109.5°109.5°
HAD1CADHAD2109.5°109.4°
HAD1CADHAD3109.5°109.5°
HAD2CADHAD3109.5°109.5°
HAA1CAAHAA2109.5°109.5°
HAA1CAAHAA3109.4°109.5°
HAA2CAAHAA3109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANCAPNBBHAP1120.9°120.0°
CANCAPNBBHAP2121.0°119.9°
CAPCANNBAHAN1120.4°119.9°
CAPCANNBAHAN2120.4°120.0°
CAPCANNBACAC174.9°64.6°
CAPCANNBACAO57.2°59.3°
CANCAPNBBCAQ26.2°59.3°
CANCAPNBBCAM101.7°176.8°
CANCAPHAP1HAP2117.1°120.0°
CAPCANHAN1HAN2118.8°120.1°
NBBCAPCANNBA34.2°58.4°
CAPNBBCAQCAO40.8°59.3°
CAPNBBCAQCAM128.2°123.9°
CAPNBBCAMCAK95.5°170.0°
NBBCAPHAP1HAP2117.0°120.1°
NBBCAPCANHAN1154.6°61.5°
NBBCAPCANHAN286.1°178.3°
CAPNBBCAQHAQ179.5°179.3°
CAPNBBCAQHAQ2161.1°60.7°
CAPNBBCAMHAM1145.1°70.0°
CAPNBBCAMHAM223.9°49.9°
CANNBACACCAO117.8°123.8°
CANNBACAOCAQ73.0°59.3°
NBACANCAPHAP1155.1°61.6°
NBACANCAPHAP286.7°178.4°
NBACANHAN1HAN2118.8°120.0°
CANNBACACHAC1180.0°60.0°
CANNBACACHAC260.0°180.0°
CANNBACACHAC360.0°60.0°
CANNBACAOHAO1167.3°60.6°
CANNBACAOHAO246.7°179.3°
CACNBACAOCAQ168.7°64.6°
CACNBACANHAN164.7°175.5°
CACNBACANHAN254.6°55.4°
NBACACHAC1HAC2120.0°120.0°
NBACACHAC1HAC3120.0°120.0°
NBACACHAC2HAC3120.0°120.0°
CACNBACAOHAO149.0°175.5°
CACNBACAOHAO271.6°55.4°
NBACAOCAQHAO1119.7°120.0°
NBACAOCAQHAO2119.7°120.0°
NBACAOCAQNBB64.3°58.4°
CAONBACANHAN1177.6°60.6°
CAONBACANHAN263.1°179.3°
CAONBACACHAC162.2°63.8°
CAONBACACHAC2177.9°56.2°
CAONBACACHAC357.9°176.2°
NBACAOHAO1HAO2120.9°120.1°
NBACAOCAQHAQ156.1°178.4°
NBACAOCAQHAQ2175.4°61.6°
CAOCAQNBBHAQ1120.3°119.9°
CAOCAQNBBHAQ2120.3°120.0°
CAOCAQNBBCAM87.4°176.8°
CAQCAOHAO1HAO2120.9°120.0°
CAOCAQHAQ1HAQ2119.0°120.0°
CAQNBBCAMCAK134.7°66.2°
CAQNBBCAPHAP1147.1°60.7°
CAQNBBCAPHAP294.7°179.3°
NBBCAQCAOHAO1176.0°61.6°
NBBCAQCAOHAO255.4°178.4°
NBBCAQHAQ1HAQ2119.0°120.1°
CAQNBBCAMHAM115.3°53.8°
CAQNBBCAMHAM2106.0°173.8°
NBBCAMCAKHAM1119.4°120.0°
NBBCAMCAKHAM2119.3°120.0°
NBBCAMCAKCAL165.2°180.0°
CAMNBBCAPHAP119.3°63.2°
CAMNBBCAPHAP2137.4°56.8°
CAMNBBCAQHAQ1152.2°56.8°
CAMNBBCAQHAQ232.9°63.3°
NBBCAMHAM1HAM2121.8°120.0°
NBBCAMCAKHAK144.5°60.0°
NBBCAMCAKHAK274.1°60.0°
CAMCAKCALHAK1120.7°120.0°
CAMCAKCALHAK2120.7°120.0°
CAMCAKCALCAU152.0°180.0°
CAKCAMHAM1HAM2121.9°120.0°
CAMCAKHAK1HAK2117.8°120.0°
CAMCAKCALHAL189.0°60.0°
CAMCAKCALHAL232.9°60.0°
CAKCALCAUHAL1119.1°120.0°
CAKCALCAUHAL2119.1°120.0°
CAKCALCAUCAJ52.1°90.0°
CAKCALCAUCAI127.1°90.3°
CALCAKCAMHAM175.5°60.0°
CALCAKCAMHAM245.8°60.0°
CALCAKHAK1HAK2117.8°120.0°
CAKCALHAL1HAL2122.7°120.0°
CALCAUCAJCAI179.2°179.7°
CALCAUCAJCAW179.3°180.0°
CALCAUCAICAV180.0°180.0°
CAUCALCAKHAK131.3°60.0°
CAUCALCAKHAK287.3°60.0°
CAUCALHAL1HAL2122.7°120.0°
CALCAUCAJHAJ0.7°0.0°
CALCAUCAIHAI0.0°0.0°
CAUCAJCAWHAJ180.0°179.9°
CAUCAJCAWCLH179.9°180.0°
CAUCAJCAWCAZ1.6°0.0°
CAJCAUCAICAV0.8°0.3°
CAJCAUCALHAL1171.2°30.0°
CAJCAUCALHAL266.9°150.0°
CAJCAUCAIHAI179.2°179.7°
CAICAUCAJCAW0.0°0.3°
CAUCAICAVHAI180.0°179.9°
CAUCAICAVCLG179.4°180.0°
CAUCAICAVCAZ0.0°0.0°
CAICAUCALHAL18.0°149.7°
CAICAUCALHAL2113.9°29.7°
CAICAUCAJHAJ179.9°179.7°
CAJCAWCLHCAZ178.4°179.9°
CAJCAWCAZCAV2.4°0.3°
CAJCAWCAZSBD175.7°180.0°
CLHCAWCAZCAV179.3°179.7°
CLHCAWCAZSBD5.9°0.0°
CLHCAWCAJHAJ0.1°0.1°
CAWCAZCAVCAI1.6°0.3°
CAWCAZCAVCLG177.8°179.7°
CAWCAZCAVSBD173.6°179.7°
CAWCAZSBDOAE131.4°163.0°
CAWCAZSBDOAF2.7°30.1°
CAWCAZSBDNAS108.8°83.5°
CAZCAWCAJHAJ178.4°180.0°
CAICAVCLGCAZ179.4°180.0°
CAICAVCAZSBD175.1°180.0°
CLGCAVCAZSBD4.2°0.0°
CLGCAVCAIHAI0.6°0.0°
CAVCAZSBDOAE55.5°17.3°
CAVCAZSBDOAF175.8°150.2°
CAVCAZSBDNAS64.3°96.3°
CAZCAVCAIHAI180.0°180.0°
CAZSBDOAEOAF125.3°122.9°
CAZSBDOAENAS117.3°114.2°
CAZSBDOAFNAS115.1°114.1°
CAZSBDNASCAY65.3°66.9°
CAZSBDNASHAS56.6°113.1°
OAESBDOAFNAS122.5°123.0°
OAESBDNASCAY178.8°46.7°
OAESBDNASHAS59.3°133.3°
OAFSBDNASCAY52.6°179.6°
OAFSBDNASHAS174.5°0.4°
SBDNASCAYHAS121.9°180.0°
SBDNASCAYCAX85.8°109.6°
SBDNASCAYCAT91.9°70.0°
NASCAYCAXCAT178.1°179.7°
NASCAYCAXCAB0.7°0.0°
NASCAYCAXNBC177.7°180.0°
NASCAYCATNAR178.9°179.9°
NASCAYCATCAA2.0°0.0°
CAYCAXCABNBC178.1°180.0°
CAYCAXNBCCAD179.1°180.0°
CAYCAXNBCNAR1.7°0.0°
CAXCAYCATNAR0.7°0.4°
CAXCAYCATCAA179.8°179.7°
CAXCAYNASHAS36.1°70.3°
CAYCAXCABHAB191.0°90.0°
CAYCAXCABHAB2149.0°150.0°
CAYCAXCABHAB329.0°30.0°
CATCAYCAXCAB178.8°179.8°
CATCAYCAXNBC0.5°0.2°
CAYCATNARNBC1.8°0.4°
CAYCATNARCAA179.2°179.9°
CATCAYNASHAS146.2°110.0°
CAYCATCAAHAA1179.0°96.4°
CAYCATCAAHAA259.0°143.5°
CAYCATCAAHAA361.0°23.6°
CABCAXNBCCAD0.6°0.0°
CABCAXNBCNAR179.9°180.0°
CAXCABHAB1HAB2120.0°120.0°
CAXCABHAB1HAB3120.0°120.1°
CAXCABHAB2HAB3120.0°120.1°
CAXNBCCADNAR179.2°179.9°
CAXNBCNARCAT2.1°0.3°
NBCCAXCABHAB190.9°89.9°
NBCCAXCABHAB229.1°30.0°
NBCCAXCABHAB3149.1°150.0°
CAXNBCCADHAD1179.2°90.1°
CAXNBCCADHAD260.8°150.0°
CAXNBCCADHAD359.2°30.0°
CADNBCNARCAT178.5°179.8°
NBCCADHAD1HAD2120.0°120.0°
NBCCADHAD1HAD3120.0°120.0°
NBCCADHAD2HAD3120.0°120.1°
NBCNARCATCAA179.1°179.7°
NARNBCCADHAD10.0°90.0°
NARNBCCADHAD2120.0°29.9°
NARNBCCADHAD3120.0°150.0°
NARCATCAAHAA10.0°83.4°
NARCATCAAHAA2120.0°36.6°
NARCATCAAHAA3120.0°156.6°
CATCAAHAA1HAA2120.0°120.0°
CATCAAHAA1HAA3120.0°120.0°
CATCAAHAA2HAA3120.0°120.0°
HAP1CAPCANHAN184.4°178.5°
HAP1CAPCANHAN234.8°58.3°
HAP2CAPCANHAN133.7°58.5°
HAP2CAPCANHAN2152.9°61.7°
HAC1CACHAC2HAC3120.0°120.0°
HAO1CAOCAQHAQ163.6°58.4°
HAO1CAOCAQHAQ255.7°178.4°
HAO2CAOCAQHAQ1175.8°61.6°
HAO2CAOCAQHAQ264.9°58.4°
HAM1CAMCAKHAK1163.8°180.0°
HAM1CAMCAKHAK245.3°60.0°
HAM2CAMCAKHAK174.9°60.0°
HAM2CAMCAKHAK2166.5°180.0°
HAK1CAKCALHAL1150.3°180.0°
HAK1CAKCALHAL287.8°60.0°
HAK2CAKCALHAL131.7°60.0°
HAK2CAKCALHAL2153.6°180.0°
HAB1CABHAB2HAB3120.0°119.9°
HAD1CADHAD2HAD3120.0°120.0°
HAA1CAAHAA2HAA3120.0°120.0°

223532

PDB entries from 2024-08-07

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