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QA1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAPCAEsing1.53Å1.53Å
OAACAJsing1.43Å1.44Å
CASCAHsing1.53Å1.53Å
CANCALsing1.55Å1.55Å
CANCAJsing1.55Å1.55Å
CALCADsing1.53Å1.55Å
CAECAJsing1.53Å1.54Å
CAECADsing1.55Å1.53Å
CAECAIsing1.52Å1.55Å
CAFCADsing1.52Å1.54Å
CAFCAMsing1.53Å1.49Å
CAFCAGsing1.54Å1.55Å
CAJCATsing1.47Å1.50Å
CAKCAIsing1.54Å1.55Å
CAKCAGsing1.53Å1.57Å
CAMCAQsing1.53Å1.51Å
CAQCAOsing1.52Å1.41Å
CAHCAGsing1.53Å1.54Å
CAHCAOsing1.49Å1.41Å
CAHCARsing1.51Å1.53Å
CAOCAUdoub1.33Å1.39Å
CATCAYtrip1.17Å1.15Å
CARCAVsing1.49Å1.40Å
CAUCAWsing1.47Å1.32Å
CAVCAWdoub1.37Å1.34ÅAromatic
CAVCAXsing1.40Å1.33ÅAromatic
CAWOABsing1.33Å1.36ÅAromatic
CAXNACdoub1.31Å1.33ÅAromatic
OABNACsing1.22Å1.44ÅAromatic
CADHADsing1.09Å1.10Å
CAFHAFsing1.09Å1.10Å
CAGHAGsing1.09Å1.10Å
CAIHAIsing1.09Å1.10Å
CAIHAJsing1.09Å1.10Å
CAKHALsing1.09Å1.10Å
CAKHAKsing1.09Å1.10Å
CALHANsing1.09Å1.10Å
CALHAMsing1.09Å1.10Å
CAMHAOsing1.09Å1.10Å
CAMHAPsing1.09Å1.10Å
CANHARsing1.09Å1.10Å
CANHAQsing1.09Å1.10Å
CAPHASsing1.09Å1.10Å
CAPHATsing1.09Å1.10Å
CAPHAUsing1.09Å1.10Å
CAQHAVsing1.09Å1.10Å
CAQHAWsing1.09Å1.10Å
CARHAXsing1.09Å1.10Å
CARHAYsing1.09Å1.10Å
CASHA1sing1.09Å1.10Å
CASHAZsing1.09Å1.10Å
CASHA0sing1.09Å1.10Å
CAUHA2sing1.08Å1.08Å
CAXHA3sing1.08Å1.08Å
CAYHA4sing1.05Å1.06Å
OAAHAAsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAPCAECAJ110.9°109.8°
CAPCAECAD112.0°109.8°
CAPCAECAI109.3°109.9°
CAECAPHAS109.5°109.5°
CAECAPHAT109.5°109.5°
CAECAPHAU109.4°109.5°
OAACAJCAN111.3°110.3°
OAACAJCAE114.7°110.3°
OAACAJCAT107.9°110.3°
CAJOAAHAA109.5°114.0°
CASCAHCAG114.2°105.9°
CASCAHCAO109.5°106.2°
CASCAHCAR106.3°105.6°
CAHCASHA1109.5°109.4°
CAHCASHAZ109.5°109.5°
CAHCASHA0109.5°109.5°
CALCANCAJ106.3°106.4°
CANCALCAD103.0°102.9°
CANCALHAN111.1°110.7°
CANCALHAM111.0°110.9°
CALCANHAR110.3°110.0°
CALCANHAQ110.3°110.1°
CANCAJCAE102.6°105.3°
CANCAJCAT108.3°110.3°
CAJCANHAR110.3°110.1°
CAJCANHAQ110.3°110.1°
CALCADCAE103.6°101.7°
CALCADCAF118.1°116.4°
CALCADHAD107.6°110.3°
CADCALHAN111.1°110.7°
CADCALHAM111.1°110.8°
CAJCAECAD99.2°103.3°
CAJCAECAI115.1°116.5°
CAECAJCAT111.8°110.3°
CADCAECAI110.1°107.2°
CAECADCAF111.5°107.1°
CAECADHAD107.8°110.4°
CAECAICAK110.0°107.7°
CAECAIHAI109.4°109.9°
CAECAIHAJ109.3°109.9°
CADCAFCAM106.8°110.0°
CADCAFCAG105.9°107.4°
CAFCADHAD107.8°110.4°
CADCAFHAF110.8°109.8°
CAMCAFCAG111.0°109.4°
CAFCAMCAQ110.5°109.6°
CAMCAFHAF111.5°109.7°
CAFCAMHAO109.2°109.4°
CAFCAMHAP109.2°109.4°
CAFCAGCAK111.0°111.6°
CAFCAGCAH111.4°109.1°
CAGCAFHAF110.6°110.6°
CAFCAGHAG107.5°109.2°
CAJCATCAY178.4°180.0°
CAICAKCAG110.4°110.7°
CAKCAIHAI109.3°109.7°
CAKCAIHAJ109.3°109.7°
CAICAKHAL109.3°109.1°
CAICAKHAK109.3°109.1°
CAKCAGCAH111.9°108.5°
CAKCAGHAG107.3°109.2°
CAGCAKHAL109.2°109.1°
CAGCAKHAK109.2°109.8°
CAMCAQCAO115.2°108.2°
CAQCAMHAO109.2°109.5°
CAQCAMHAP109.2°109.5°
CAMCAQHAV108.0°109.7°
CAMCAQHAW108.0°109.7°
CAQCAOCAH123.9°117.9°
CAQCAOCAU115.6°117.1°
CAOCAQHAV108.0°109.7°
CAOCAQHAW108.0°109.7°
CAGCAHCAO108.6°109.8°
CAGCAHCAR106.3°110.6°
CAHCAGHAG107.5°109.2°
CAOCAHCAR112.0°117.8°
CAHCAOCAU120.3°125.0°
CAHCARCAV111.9°113.7°
CAHCARHAX108.8°108.6°
CAHCARHAY108.9°108.6°
CAOCAUCAW120.0°118.1°
CAOCAUHA2120.0°120.9°
CATCAYHA4180.0°179.9°
CARCAVCAW121.0°124.3°
CARCAVCAX129.3°131.7°
CAVCARHAX108.9°108.7°
CAVCARHAY108.8°108.6°
CAUCAWCAV121.7°121.1°
CAUCAWOAB128.8°132.3°
CAWCAUHA2120.0°121.0°
CAWCAVCAX109.6°104.0°
CAVCAWOAB109.4°106.6°
CAVCAXNAC109.0°106.3°
CAVCAXHA3125.5°126.8°
CAWOABNAC104.7°110.9°
CAXNACOAB107.2°112.1°
NACCAXHA3125.5°126.9°
HAICAIHAJ109.4°109.8°
HALCAKHAK109.5°108.9°
HANCALHAM109.5°110.6°
HAOCAMHAP109.5°109.4°
HARCANHAQ109.4°110.1°
HASCAPHAT109.5°109.4°
HASCAPHAU109.5°109.5°
HATCAPHAU109.5°109.5°
HAVCAQHAW109.5°109.7°
HAXCARHAY109.5°108.5°
HA1CASHAZ109.5°109.5°
HA1CASHA0109.4°109.5°
HAZCASHA0109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAPCAECAJOAA48.5°31.1°
CAPCAECAJCAN72.3°87.9°
CAPCAECADCAL67.8°72.7°
CAPCAECAJCAD117.9°117.1°
CAPCAECAJCAI124.7°125.7°
CAPCAECADCAI121.8°119.4°
CAPCAECADCAF60.2°49.9°
CAPCAECAJCAT171.8°153.2°
CAPCAECAICAK67.8°54.7°
CAPCAECADHAD178.3°170.1°
CAPCAECAIHAI52.3°64.8°
CAPCAECAIHAJ172.1°174.2°
CAECAPHASHAT120.0°120.0°
CAECAPHASHAU120.0°120.0°
CAECAPHATHAU120.0°120.0°
OAACAJCANCAL149.0°122.4°
OAACAJCANCAE123.1°119.0°
OAACAJCANCAT118.5°122.0°
OAACAJCAECAT123.3°122.0°
OAACAJCAECAD166.4°148.2°
OAACAJCAECAI76.1°94.6°
OAACAJCATCAY6.6°90.8°
OAACAJCANHAR29.5°118.4°
OAACAJCANHAQ91.5°3.2°
CASCAHCAGCAF73.3°60.1°
CASCAHCAGCAK51.6°61.7°
CASCAHCAOCAQ82.3°62.9°
CASCAHCAGCAO122.5°114.3°
CASCAHCAGCAR116.9°114.0°
CASCAHCAOCAR117.7°118.1°
CASCAHCAOCAU92.5°117.3°
CASCAHCARCAV79.0°117.6°
CASCAHCAGHAG169.1°179.4°
CASCAHCARHAX41.4°3.5°
CASCAHCARHAY160.7°121.3°
CAHCASHA1HAZ120.0°120.0°
CAHCASHA1HA0120.0°120.0°
CAHCASHAZHA0120.0°120.0°
CALCANCAJHAR119.5°119.2°
CALCANCAJHAQ119.5°119.3°
CANCALCADHAN119.0°118.3°
CANCALCADHAM118.9°118.5°
CALCANCAJCAE25.8°3.5°
CANCALCADCAE33.2°41.5°
CANCALCADCAF156.9°157.6°
CALCANCAJCAT92.5°115.5°
CANCALCADHAD80.8°75.7°
CANCALHANHAM123.0°123.3°
CALCANHARHAQ121.5°121.5°
CAJCANCALCAD4.2°23.9°
CANCAJCAECAT115.9°119.0°
CANCAJCAECAD45.6°29.2°
CANCAJCAECAI163.0°146.4°
CANCAJCATCAY114.0°147.1°
CAJCANCALHAN123.2°94.4°
CAJCANCALHAM114.8°142.4°
CAJCANHARHAQ121.5°121.5°
CANCAJOAAHAA180.0°64.1°
CALCADCAECAJ49.2°44.3°
CALCADCAECAF128.0°122.6°
CALCADCAEHAD113.9°117.1°
CALCADCAECAI170.3°167.9°
CALCADCAFHAD122.1°126.8°
CALCADCAFCAM58.9°63.8°
CALCADCAFCAG177.3°177.3°
CALCADCAFHAF62.7°57.0°
CADCALHANHAM123.0°123.2°
CADCALCANHAR123.7°95.3°
CADCALCANHAQ115.3°143.2°
CAJCAECADCAI121.1°123.5°
CAJCAECADCAF177.2°167.0°
CAJCAECAICAK166.7°179.7°
CAECAJCATCAY133.7°31.2°
CAJCAECADHAD64.7°72.8°
CAJCAECAIHAI73.2°60.9°
CAJCAECAIHAJ46.6°60.1°
CAECAJCANHAR93.7°122.7°
CAECAJCANHAQ145.4°115.8°
CAJCAECAPHAS180.0°61.5°
CAJCAECAPHAT60.0°178.6°
CAJCAECAPHAU60.0°58.5°
CAECAJOAAHAA64.1°180.0°
CAECADCAFHAD118.1°120.3°
CAECADCAFCAM178.6°176.8°
CAECADCAFCAG62.9°64.3°
CADCAECAJCAT70.3°89.8°
CADCAECAICAK55.6°64.6°
CAECADCAFHAF57.0°56.0°
CADCAECAIHAI175.7°175.9°
CADCAECAIHAJ64.5°54.9°
CAECADCALHAN152.2°76.8°
CAECADCALHAM85.8°160.1°
CADCAECAPHAS70.2°174.4°
CADCAECAPHAT49.8°65.6°
CADCAECAPHAU169.8°54.4°
CAICAECADCAF61.6°69.5°
CAICAECAJCAT47.1°27.4°
CAECAICAKHAI120.1°119.6°
CAECAICAKHAJ120.1°119.6°
CAECAICAKCAG54.2°57.9°
CAICAECADHAD56.5°50.7°
CAECAIHAIHAJ119.7°121.0°
CAECAICAKHAL65.9°178.0°
CAECAICAKHAK174.4°63.1°
CAICAECAPHAS52.1°67.9°
CAICAECAPHAT172.1°52.1°
CAICAECAPHAU67.9°172.1°
CADCAFCAMCAG115.1°117.7°
CADCAFCAMHAF121.2°120.8°
CADCAFCAGHAF120.1°119.8°
CADCAFCAGCAK61.0°58.2°
CADCAFCAMCAQ167.8°178.2°
CADCAFCAGCAH173.6°178.0°
CADCAFCAGHAG56.0°62.7°
CAFCADCALHAN84.1°39.2°
CAFCADCALHAM38.0°83.9°
CADCAFCAMHAO47.7°61.8°
CADCAFCAMHAP72.0°58.1°
CAMCAFCAGHAF124.3°121.0°
CAMCAFCAGCAK176.6°177.4°
CAFCAMCAQHAO120.1°120.0°
CAFCAMCAQHAP120.1°120.0°
CAFCAMCAQCAO43.0°55.6°
CAMCAFCAGCAH58.0°62.7°
CAMCAFCADHAD63.2°63.0°
CAMCAFCAGHAG59.6°56.6°
CAFCAMHAOHAP119.5°119.9°
CAFCAMCAQHAV163.8°175.2°
CAFCAMCAQHAW77.9°64.1°
CAFCAGCAKCAI58.6°55.1°
CAFCAGCAKCAH125.1°120.2°
CAFCAGCAKHAG117.2°120.9°
CAGCAFCAMCAQ52.7°64.1°
CAFCAGCAHHAG117.5°119.3°
CAFCAGCAHCAO49.2°54.2°
CAFCAGCAHCAR169.8°174.0°
CAGCAFCADHAD55.2°55.9°
CAFCAGCAKHAL61.6°175.2°
CAFCAGCAKHAK178.7°65.4°
CAGCAFCAMHAO67.4°55.9°
CAGCAFCAMHAP172.9°175.8°
CATCAJCANHAR148.0°3.7°
CATCAJCANHAQ27.0°125.2°
CAJCATCAYHA434.5°80.0°
CATCAJOAAHAA61.3°57.9°
CAICAKCAGHAL120.1°120.1°
CAICAKCAGHAK120.2°120.5°
CAICAKCAGCAH176.3°175.3°
CAICAKCAGHAG58.6°65.8°
CAKCAIHAIHAJ119.7°120.7°
CAICAKHALHAK119.6°119.0°
CAKCAGCAHHAG117.5°118.9°
CAKCAGCAHCAO174.1°176.0°
CAKCAGCAHCAR65.3°52.3°
CAKCAGCAFHAF59.1°61.6°
CAGCAKCAIHAI174.3°177.5°
CAGCAKCAIHAJ65.9°61.8°
CAGCAKHALHAK119.6°119.9°
CAMCAQCAOHAV120.8°119.7°
CAMCAQCAOHAW120.9°119.7°
CAMCAQCAOCAH40.9°51.5°
CAMCAQCAOCAU144.1°128.4°
CAQCAMCAFHAF71.0°57.4°
CAQCAMHAOHAP119.5°120.0°
CAMCAQHAVHAW117.4°120.6°
CAQCAOCAHCAG43.0°51.2°
CAQCAOCAHCAU174.8°179.8°
CAQCAOCAHCAR160.0°179.0°
CAQCAOCAUCAW173.5°179.5°
CAOCAQCAMHAO77.2°64.5°
CAOCAQCAMHAP163.1°175.6°
CAOCAQHAVHAW117.4°120.6°
CAQCAOCAUHA26.5°0.5°
CAGCAHCAOCAR117.0°127.8°
CAGCAHCAOCAU142.2°128.6°
CAGCAHCARCAV159.0°128.2°
CAHCAGCAFHAF66.3°58.3°
CAHCAGCAKHAL63.6°64.6°
CAHCAGCAKHAK56.1°54.8°
CAGCAHCARHAX80.6°110.7°
CAGCAHCARHAY38.6°7.2°
CAGCAHCASHA1180.0°60.0°
CAGCAHCASHAZ60.0°179.9°
CAGCAHCASHA060.0°60.0°
CAOCAHCARCAV40.6°0.8°
CAHCAOCAUCAW1.7°0.3°
CAOCAHCAGHAG68.4°65.1°
CAHCAOCAQHAV161.7°171.1°
CAHCAOCAQHAW80.0°68.2°
CAOCAHCARHAX161.0°121.9°
CAOCAHCARHAY79.8°120.2°
CAOCAHCASHA158.0°176.7°
CAOCAHCASHAZ62.0°63.2°
CAOCAHCASHA0178.0°56.8°
CAHCAOCAUHA2178.3°179.7°
CARCAHCAOCAU25.2°0.8°
CAHCARCAVHAX120.4°121.1°
CAHCARCAVHAY120.4°121.0°
CAHCARCAVCAW32.2°0.3°
CAHCARCAVCAX152.0°179.7°
CARCAHCAGHAG52.3°66.7°
CAHCARHAXHAY118.9°117.9°
CARCAHCASHA163.1°57.3°
CARCAHCASHAZ176.8°62.7°
CARCAHCASHA056.8°177.3°
CAOCAUCAWHA2180.0°179.9°
CAOCAUCAWCAV13.9°0.3°
CAOCAUCAWOAB162.2°179.8°
CAUCAOCAQHAV23.3°8.7°
CAUCAOCAQHAW95.0°111.9°
CARCAVCAWCAU5.1°0.2°
CARCAVCAWCAX176.6°180.0°
CARCAVCAWOAB178.1°179.8°
CARCAVCAXNAC177.4°179.9°
CAVCARHAXHAY118.9°118.0°
CARCAVCAXHA32.6°0.1°
CAUCAWCAVOAB176.8°179.9°
CAUCAWCAVCAX178.4°179.7°
CAUCAWOABNAC177.8°179.7°
CAWCAVCAXNAC1.2°0.1°
CAVCAWOABNAC1.3°0.2°
CAWCAVCARHAX152.5°121.4°
CAWCAVCARHAY88.2°120.7°
CAVCAWCAUHA2166.1°179.8°
CAWCAVCAXHA3178.8°179.9°
CAXCAVCAWOAB1.6°0.2°
CAVCAXNACHA3180.0°180.0°
CAVCAXNACOAB0.4°0.0°
CAXCAVCARHAX31.7°58.6°
CAXCAVCARHAY87.6°59.3°
CAWOABNACCAX0.5°0.2°
OABCAWCAUHA217.8°0.1°
OABNACCAXHA3179.6°180.0°
HADCADCAFHAF175.1°176.2°
HADCADCALHAN38.1°166.0°
HADCADCALHAM160.2°42.9°
HAFCAFCAGHAG176.1°177.6°
HAFCAFCAMHAO168.9°177.4°
HAFCAFCAMHAP49.1°62.7°
HAGCAGCAKHAL178.7°54.3°
HAGCAGCAKHAK61.6°173.7°
HAICAICAKHAL54.2°62.4°
HAICAICAKHAK65.5°56.5°
HAJCAICAKHAL174.0°58.4°
HAJCAICAKHAK54.3°177.3°
HANCALCANHAR117.3°146.3°
HANCALCANHAQ3.6°24.8°
HAMCALCANHAR4.7°23.1°
HAMCALCANHAQ125.7°98.3°
HAOCAMCAQHAV43.7°55.2°
HAOCAMCAQHAW162.0°175.8°
HAPCAMCAQHAV76.1°64.7°
HAPCAMCAQHAW42.2°55.9°
HASCAPHATHAU120.0°120.0°
HA1CASHAZHA0120.0°120.0°

223790

PDB entries from 2024-08-14

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