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JQ1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACAVsing1.51Å1.53Å
CABCAXsing1.51Å1.55Å
CACCAYsing1.51Å1.54Å
CADCBEsing1.53Å1.51Å
CAECBEsing1.53Å1.54Å
CAFCBEsing1.53Å1.53Å
OAGCASdoub1.21Å1.23Å
CLAHCAUsing1.74Å1.75Å
CAICAKdoub1.38Å1.40ÅAromatic
CAICAUsing1.39Å1.38ÅAromatic
CAJCALsing1.38Å1.39ÅAromatic
CAJCAUdoub1.38Å1.39ÅAromatic
CAKCAWsing1.39Å1.39ÅAromatic
CALCAWdoub1.39Å1.40ÅAromatic
CAMCASsing1.51Å1.53Å
CAMCBCsing1.53Å1.52Å
NANCATdoub1.30Å1.34Å
NANCBCsing1.46Å1.49Å
NAONAPsing1.40Å1.28ÅAromatic
NAOCAVdoub1.31Å1.34ÅAromatic
NAPCAZsing1.34Å1.35ÅAromatic
OAQCASsing1.34Å1.33Å
OAQCBEsing1.45Å1.48Å
SARCAXsing1.76Å1.73ÅAromatic
SARCBBsing1.76Å1.73ÅAromatic
CATCAWsing1.48Å1.44Å
CATCBAsing1.48Å1.43Å
CAVNBDsing1.34Å1.35ÅAromatic
CAXCAYdoub1.32Å1.39ÅAromatic
CAYCBAsing1.41Å1.42ÅAromatic
CAZCBCsing1.51Å1.54Å
CAZNBDdoub1.32Å1.33ÅAromatic
CBACBBdoub1.38Å1.41ÅAromatic
CBBNBDsing1.38Å1.36ÅAromatic
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
CACHACsing1.09Å1.10Å
CACHACAsing1.09Å1.10Å
CACHACBsing1.09Å1.10Å
CADHADsing1.09Å1.10Å
CADHADAsing1.09Å1.10Å
CADHADBsing1.09Å1.10Å
CAEHAEsing1.09Å1.10Å
CAEHAEAsing1.09Å1.10Å
CAEHAEBsing1.09Å1.10Å
CAFHAFsing1.09Å1.10Å
CAFHAFAsing1.09Å1.10Å
CAFHAFBsing1.09Å1.10Å
CAIHAIsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAMHAMsing1.09Å1.10Å
CAMHAMAsing1.09Å1.10Å
NAPHNAPsing0.97Å1.00Å
CBCHBCsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACAVNAO124.1°125.6°
CAACAVNBD127.8°125.6°
CAVCAAHAA109.5°109.5°
CAVCAAHAAA109.5°109.5°
CAVCAAHAAB109.5°109.5°
CABCAXSAR122.9°124.8°
CABCAXCAY126.6°124.8°
CAXCABHAB109.5°109.5°
CAXCABHABA109.4°109.4°
CAXCABHABB109.5°109.5°
CACCAYCAX122.0°122.0°
CACCAYCBA123.4°122.0°
CAYCACHAC109.5°109.5°
CAYCACHACA109.5°109.5°
CAYCACHACB109.5°109.5°
CADCBECAE114.5°109.5°
CADCBECAF109.9°109.5°
CADCBEOAQ106.4°109.5°
CBECADHAD109.5°109.4°
CBECADHADA109.5°109.5°
CBECADHADB109.5°109.5°
CAECBECAF108.2°109.5°
CAECBEOAQ112.0°109.5°
CBECAEHAE109.5°109.5°
CBECAEHAEA109.4°109.5°
CBECAEHAEB109.5°109.4°
CAFCBEOAQ105.4°109.4°
CBECAFHAF109.5°109.5°
CBECAFHAFA109.5°109.5°
CBECAFHAFB109.5°109.4°
OAGCASCAM121.4°120.0°
OAGCASOAQ123.4°120.1°
CLAHCAUCAI119.0°119.9°
CLAHCAUCAJ121.8°119.9°
CAKCAICAU120.5°120.1°
CAICAKCAW121.2°119.9°
CAKCAIHAI119.7°120.0°
CAICAKHAK119.4°120.0°
CAICAUCAJ119.2°120.2°
CAUCAIHAI119.8°119.9°
CALCAJCAU120.4°120.2°
CAJCALCAW120.9°119.9°
CALCAJHAJ119.8°119.9°
CAJCALHAL119.6°120.1°
CAUCAJHAJ119.8°119.9°
CAKCAWCAL117.7°119.7°
CAKCAWCAT122.1°120.1°
CAWCAKHAK119.4°120.1°
CALCAWCAT120.2°120.1°
CAWCALHAL119.6°120.1°
CASCAMCBC108.4°109.4°
CAMCASOAQ115.3°120.0°
CASCAMHAM109.8°109.4°
CASCAMHAMA109.8°109.5°
CAMCBCNAN111.6°109.5°
CAMCBCCAZ114.7°109.5°
CBCCAMHAM109.8°109.5°
CBCCAMHAMA109.8°109.5°
CAMCBCHBC102.9°109.5°
CATNANCBC121.4°122.1°
NANCATCAW116.0°117.6°
NANCATCBA121.9°124.8°
NANCBCCAZ104.9°109.5°
NANCBCHBC113.1°109.4°
NAPNAOCAV109.5°107.0°
NAONAPCAZ107.3°106.6°
NAONAPHNAP126.3°126.7°
NAOCAVNBD108.1°108.8°
NAPCAZCBC126.9°126.4°
NAPCAZNBD109.7°108.0°
CAZNAPHNAP126.3°126.7°
CASOAQCBE125.9°117.0°
CAXSARCBB92.6°91.4°
SARCAXCAY110.4°110.4°
SARCBBCBA111.5°109.8°
SARCBBNBD122.2°124.9°
CAWCATCBA121.0°117.6°
CATCBACAY125.0°123.1°
CATCBACBB124.1°124.5°
CAVNBDCAZ105.3°109.6°
CAVNBDCBB131.2°126.5°
CAXCAYCBA114.5°116.0°
CAYCBACBB110.8°112.4°
CBCCAZNBD123.2°125.5°
CAZCBCHBC109.9°109.5°
CAZNBDCBB123.4°124.0°
CBACBBNBD125.9°125.2°
HAACAAHAAA109.4°109.4°
HAACAAHAAB109.5°109.6°
HAAACAAHAAB109.5°109.4°
HABCABHABA109.5°109.5°
HABCABHABB109.5°109.5°
HABACABHABB109.5°109.4°
HACCACHACA109.4°109.4°
HACCACHACB109.5°109.5°
HACACACHACB109.4°109.5°
HADCADHADA109.5°109.5°
HADCADHADB109.5°109.5°
HADACADHADB109.4°109.5°
HAECAEHAEA109.4°109.5°
HAECAEHAEB109.5°109.4°
HAEACAEHAEB109.5°109.5°
HAFCAFHAFA109.4°109.5°
HAFCAFHAFB109.5°109.4°
HAFACAFHAFB109.5°109.5°
HAMCAMHAMA109.1°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACAVNAONAP178.9°180.0°
CAACAVNAONBD177.6°180.0°
CAACAVNBDCAZ179.8°179.8°
CAACAVNBDCBB4.5°0.4°
CAVCAAHAAHAAA120.0°120.0°
CAVCAAHAAHAAB120.0°120.0°
CAVCAAHAAAHAAB120.0°120.0°
CABCAXCAYCAC0.2°0.3°
CABCAXSARCAY178.3°180.0°
CABCAXSARCBB179.3°179.5°
CABCAXCAYCBA179.0°179.8°
CAXCABHABHABA120.0°120.0°
CAXCABHABHABB120.0°120.1°
CAXCABHABAHABB120.0°120.0°
CACCAYCAXSAR178.0°179.8°
CACCAYCBACAT1.7°1.5°
CACCAYCAXCBA179.3°180.0°
CACCAYCBACBB179.1°178.9°
CAYCACHACHACA120.0°120.0°
CAYCACHACHACB120.0°120.0°
CAYCACHACAHACB120.0°120.0°
CADCBECAECAF122.9°120.0°
CADCBECAEOAQ121.3°120.0°
CADCBECAFOAQ114.3°120.0°
CADCBEOAQCAS62.6°60.0°
CBECADHADHADA120.0°120.0°
CBECADHADHADB120.0°120.0°
CBECADHADAHADB120.0°120.0°
CADCBECAEHAE180.0°60.0°
CADCBECAEHAEA60.0°180.0°
CADCBECAEHAEB60.0°60.0°
CADCBECAFHAF180.0°59.9°
CADCBECAFHAFA60.0°180.0°
CADCBECAFHAFB60.0°60.0°
CAECBECAFOAQ120.0°120.0°
CAECBEOAQCAS63.3°60.0°
CAECBECADHAD180.0°60.0°
CAECBECADHADA60.0°180.0°
CAECBECADHADB60.0°60.0°
CBECAEHAEHAEA120.0°120.1°
CBECAEHAEHAEB120.0°119.9°
CBECAEHAEAHAEB120.0°120.0°
CAECBECAFHAF54.3°180.0°
CAECBECAFHAFA174.3°60.0°
CAECBECAFHAFB65.7°60.0°
CAFCBEOAQCAS179.3°180.0°
CAFCBECADHAD58.1°180.0°
CAFCBECADHADA178.1°60.0°
CAFCBECADHADB62.0°60.0°
CAFCBECAEHAE57.1°60.1°
CAFCBECAEHAEA62.9°60.0°
CAFCBECAEHAEB177.1°180.0°
CBECAFHAFHAFA120.0°120.0°
CBECAFHAFHAFB120.0°119.9°
CBECAFHAFAHAFB120.0°120.0°
OAGCASCAMOAQ179.4°179.9°
OAGCASCAMCBC147.7°0.1°
OAGCASOAQCBE5.6°0.0°
OAGCASCAMHAM92.3°120.0°
OAGCASCAMHAMA27.7°119.9°
CLAHCAUCAICAK179.7°180.0°
CLAHCAUCAICAJ177.2°180.0°
CLAHCAUCAJCAL179.6°180.0°
CLAHCAUCAIHAI0.3°0.3°
CLAHCAUCAJHAJ0.4°0.1°
CAKCAICAUHAI180.0°179.7°
CAKCAICAUCAJ2.5°0.0°
CAICAKCAWHAK180.0°179.9°
CAICAKCAWCAL0.1°0.1°
CAICAKCAWCAT179.7°180.0°
CAICAUCAJCAL3.3°0.0°
CAUCAICAKCAW0.8°0.1°
CAICAUCAJHAJ176.7°179.9°
CAUCAICAKHAK179.2°180.0°
CALCAJCAUHAJ180.0°179.9°
CAJCALCAWCAK0.7°0.1°
CAJCALCAWHAL180.0°179.9°
CAJCALCAWCAT178.9°180.0°
CAUCAJCALCAW2.4°0.1°
CAJCAUCAIHAI177.5°179.7°
CAUCAJCALHAL177.6°180.0°
CAKCAWCALCAT179.6°179.9°
CAKCAWCATNAN156.0°138.3°
CAKCAWCATCBA12.4°41.7°
CAWCAKCAIHAI179.2°179.7°
CAKCAWCALHAL179.3°180.0°
CALCAWCATNAN24.4°41.8°
CALCAWCATCBA167.2°138.2°
CAWCALCAJHAJ177.6°179.9°
CALCAWCAKHAK179.9°180.0°
CASCAMCBCHAM120.0°119.9°
CASCAMCBCHAMA120.0°120.0°
CASCAMCBCNAN55.0°65.0°
CAMCASOAQCBE175.0°180.0°
CASCAMCBCCAZ174.1°175.0°
CASCAMHAMHAMA120.4°120.0°
CASCAMCBCHBC66.6°54.9°
CAMCBCNANCAT162.5°57.6°
CAMCBCNANCAZ124.7°120.0°
CAMCBCNANHBC115.5°120.0°
CAMCBCCAZNAP8.7°120.8°
CBCCAMCASOAQ32.9°180.0°
CAMCBCCAZHBC115.4°120.1°
CAMCBCCAZNBD176.1°59.2°
CBCCAMHAMHAMA120.4°120.0°
NANCATCAWCBA168.4°180.0°
NANCATCBACAY142.3°143.4°
CATNANCBCCAZ72.8°62.4°
NANCATCBACBB38.5°37.0°
CATNANCBCHBC47.0°177.7°
NANCBCCAZNAP114.1°119.2°
CBCNANCATCAW179.0°175.4°
CBCNANCATCBA12.8°4.6°
NANCBCCAZHBC121.9°120.0°
NANCBCCAZNBD61.2°60.8°
NANCBCCAMHAM175.0°175.0°
NANCBCCAMHAMA64.9°55.0°
NAONAPCAZHNAP180.0°179.9°
NAPNAOCAVNBD1.4°0.0°
NAONAPCAZCBC177.6°179.7°
NAONAPCAZNBD1.8°0.2°
CAVNAONAPCAZ0.3°0.1°
NAOCAVNBDCAZ2.4°0.2°
NAOCAVNBDCBB178.1°179.6°
NAOCAVCAAHAA0.0°90.1°
NAOCAVCAAHAAA120.0°150.0°
NAOCAVCAAHAAB120.0°30.0°
CAVNAONAPHNAP179.7°180.0°
NAPCAZNBDCAV2.6°0.2°
NAPCAZCBCNBD175.3°179.9°
NAPCAZNBDCBB178.7°179.6°
NAPCAZCBCHBC124.0°0.8°
OAQCASCAMHAM87.2°60.0°
OAQCASCAMHAMA152.9°60.0°
OAQCBECADHAD55.6°60.0°
OAQCBECADHADA64.4°60.0°
OAQCBECADHADB175.7°180.0°
OAQCBECAEHAE58.7°180.0°
OAQCBECAEHAEA178.7°60.0°
OAQCBECAEHAEB61.3°60.1°
OAQCBECAFHAF65.7°60.1°
OAQCBECAFHAFA54.3°60.0°
OAQCBECAFHAFB174.3°180.0°
SARCAXCAYCBA2.8°0.2°
CAXSARCBBCBA1.5°1.1°
CAXSARCBBNBD175.1°177.6°
SARCAXCABHAB0.0°0.0°
SARCAXCABHABA120.0°120.0°
SARCAXCABHABB120.0°120.0°
SARCBBCBACAT179.5°178.2°
SARCBBNBDCAV40.3°35.5°
CBBSARCAXCAY2.4°0.5°
SARCBBCBACAY0.2°1.4°
SARCBBNBDCAZ134.7°144.3°
SARCBBCBANBD173.3°178.7°
CAWCATCBACAY50.0°36.6°
CAWCATCBACBB129.2°143.0°
CATCAWCAKHAK0.3°0.1°
CATCAWCALHAL1.1°0.1°
CATCBACAYCAX177.6°178.6°
CATCBACAYCBB179.3°179.6°
CATCBACBBNBD7.3°3.1°
CAVNBDCAZCBC178.6°179.7°
CAVNBDCAZCBB176.1°179.8°
CAVNBDCBBCBA147.1°146.1°
NBDCAVCAAHAA177.0°90.0°
NBDCAVCAAHAAA57.1°30.0°
NBDCAVCAAHAAB62.9°149.9°
CAXCAYCBACBB1.7°1.0°
CAYCAXCABHAB178.0°180.0°
CAYCAXCABHABA62.0°60.0°
CAYCAXCABHABB58.0°59.9°
CAXCAYCACHAC89.6°95.9°
CAXCAYCACHACA150.4°144.1°
CAXCAYCACHACB30.4°24.1°
CAYCBACBBNBD173.5°177.3°
CBACAYCACHAC89.6°84.0°
CBACAYCACHACA30.4°36.0°
CBACAYCACHACB150.4°156.0°
CBCCAZNBDCBB5.3°0.5°
CAZCBCCAMHAM65.9°55.0°
CAZCBCCAMHAMA54.1°65.0°
CBCCAZNAPHNAP2.4°0.2°
CAZNBDCBBCBA37.9°34.2°
NBDCAZNAPHNAP178.2°179.9°
NBDCAZCBCHBC60.7°179.3°
HAACAAHAAAHAAB120.0°120.1°
HABCABHABAHABB120.0°120.0°
HACCACHACAHACB120.0°120.0°
HADCADHADAHADB120.0°120.0°
HAECAEHAEAHAEB120.0°120.0°
HAFCAFHAFAHAFB120.0°120.0°
HAICAICAKHAK0.8°0.3°
HAJCAJCALHAL2.4°0.1°
HAMCAMCBCHBC53.4°65.0°
HAMACAMCBCHBC173.5°174.9°

222624

PDB entries from 2024-07-17

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