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QI2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NABOAAsing1.42Å1.30Å
CACNABsing1.35Å1.43Å
CACOADdoub1.21Å1.21Å
CAECACsing1.51Å1.50Å
CAECAFsing1.53Å1.52Å
CAEHAEsing1.09Å1.10Å
CAFCAGsing1.53Å1.59Å
CAFHAFsing1.09Å1.10Å
CAFHAFAsing1.09Å1.10Å
CAGCAHsing1.51Å1.57Å
CAGOALsing1.43Å1.50Å
CAGHAGsing1.09Å1.10Å
CAHCAIdoub1.38Å1.35ÅAromatic
CAHCAMsing1.38Å1.39ÅAromatic
CAICAJsing1.38Å1.39ÅAromatic
CAIHAIsing1.08Å1.08Å
CAJCAOdoub1.38Å1.40ÅAromatic
CAJHAJsing1.08Å1.08Å
CAKCAEsing1.53Å1.52Å
CAKHAKsing1.09Å1.10Å
OALCARsing1.43Å1.41Å
CAMCANdoub1.38Å1.39ÅAromatic
CAMHAMsing1.08Å1.08Å
CANCAOsing1.38Å1.36ÅAromatic
CANHANsing1.08Å1.08Å
CAOFAPsing1.35Å1.34Å
CAQCAKsing1.53Å1.51Å
CAQHAQsing1.09Å1.10Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CARHARBsing1.09Å1.10Å
CASNATsing1.47Å1.46Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CASHASBsing1.09Å1.10Å
NATCAQsing1.47Å1.47Å
NATCAUsing1.47Å1.48Å
CAUHAUsing1.09Å1.10Å
CAVCAUsing1.53Å1.53Å
CAVCAWsing1.53Å1.50Å
CAVHAVsing1.09Å1.10Å
CAWCAXsing1.51Å1.54Å
CAWHAWsing1.09Å1.10Å
CAWHAWAsing1.09Å1.10Å
CAXCBBsing1.38Å1.40ÅAromatic
CAYCAXdoub1.38Å1.41ÅAromatic
CAYCAZsing1.38Å1.39ÅAromatic
CAYHAYsing1.08Å1.08Å
CAZCBDdoub1.38Å1.41ÅAromatic
CBACAZsing1.51Å1.52Å
CBAHBAsing1.09Å1.10Å
CBAHBAAsing1.09Å1.10Å
CBAHBABsing1.09Å1.10Å
CBBCBCdoub1.38Å1.40ÅAromatic
CBBHBBsing1.08Å1.08Å
CBCHBCsing1.08Å1.08Å
CBDCBCsing1.38Å1.41ÅAromatic
CBDFBEsing1.35Å1.34Å
OAAH27sing0.97Å0.95Å
NABH28sing0.97Å1.00Å
CAKH29sing1.09Å1.10Å
CAQH30sing1.09Å1.10Å
CAUH31sing1.09Å1.10Å
CAVH32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAANABCAC120.8°120.0°
NABOAAH27109.5°114.0°
OAANABH28119.6°120.0°
NABCACOAD125.5°120.0°
NABCACCAE122.1°120.0°
CACNABH28119.6°120.0°
OADCACCAE112.4°120.0°
CACCAECAF110.1°109.5°
CACCAEHAE117.5°109.5°
CACCAECAK94.6°109.5°
CAFCAEHAE106.7°109.4°
CAECAFCAG115.0°109.4°
CAECAFHAF107.7°109.5°
CAECAFHAFA107.7°109.4°
CAFCAECAK107.3°109.4°
HAECAECAK119.9°109.5°
CAGCAFHAF107.7°109.5°
CAGCAFHAFA107.7°109.5°
CAFCAGCAH109.5°109.4°
CAFCAGOAL113.9°109.5°
CAFCAGHAG107.8°109.5°
HAFCAFHAFA111.2°109.5°
CAHCAGOAL113.3°109.4°
CAHCAGHAG108.4°109.4°
CAGCAHCAI119.9°120.0°
CAGCAHCAM116.9°120.0°
OALCAGHAG103.6°109.5°
CAGOALCAR118.1°114.0°
CAICAHCAM123.1°120.0°
CAHCAICAJ118.0°120.1°
CAHCAIHAI121.0°120.0°
CAHCAMCAN118.5°120.0°
CAHCAMHAM120.7°120.0°
CAJCAIHAI121.0°119.9°
CAICAJCAO119.6°120.0°
CAICAJHAJ120.2°120.0°
CAOCAJHAJ120.2°120.0°
CAJCAOCAN121.4°120.0°
CAJCAOFAP119.5°120.0°
CAECAKHAK105.5°109.5°
CAECAKCAQ122.1°109.5°
CAECAKH29105.4°109.5°
HAKCAKCAQ105.5°109.5°
HAKCAKH29113.2°109.5°
OALCARHAR109.5°109.5°
OALCARHARA109.4°109.5°
OALCARHARB109.4°109.5°
CANCAMHAM120.7°120.0°
CAMCANCAO119.3°120.0°
CAMCANHAN120.3°120.0°
CAOCANHAN120.4°120.0°
CANCAOFAP119.0°120.1°
CAKCAQHAQ107.5°109.5°
CAKCAQNAT115.4°109.5°
CAQCAKH29105.5°109.5°
CAKCAQH30107.5°109.5°
HAQCAQNAT107.5°109.5°
HAQCAQH30111.3°109.5°
HARCARHARA109.5°109.5°
HARCARHARB109.5°109.4°
HARACARHARB109.5°109.5°
NATCASHAS109.5°109.5°
NATCASHASA109.5°109.4°
NATCASHASB109.5°109.5°
CASNATCAQ107.9°111.0°
CASNATCAU109.5°111.0°
HASCASHASA109.5°109.5°
HASCASHASB109.4°109.4°
HASACASHASB109.5°109.5°
CAQNATCAU111.3°111.0°
NATCAQH30107.5°109.5°
NATCAUHAU105.9°109.4°
NATCAUCAV120.5°109.5°
NATCAUH31106.0°109.5°
HAUCAUCAV106.0°109.5°
HAUCAUH31112.7°109.4°
CAUCAVCAW118.4°109.5°
CAUCAVHAV106.6°109.5°
CAVCAUH31106.0°109.5°
CAUCAVH32106.6°109.5°
CAWCAVHAV106.6°109.4°
CAVCAWCAX121.9°109.4°
CAVCAWHAW105.5°109.4°
CAVCAWHAWA105.6°109.4°
CAWCAVH32106.6°109.4°
HAVCAVH32112.2°109.5°
CAXCAWHAW105.5°109.5°
CAXCAWHAWA105.5°109.5°
CAWCAXCBB120.0°120.0°
CAWCAXCAY120.5°120.0°
HAWCAWHAWA113.1°109.5°
CBBCAXCAY119.4°120.0°
CAXCBBCBC120.3°120.0°
CAXCBBHBB119.9°120.0°
CAXCAYCAZ120.6°120.0°
CAXCAYHAY119.7°119.9°
CAZCAYHAY119.7°120.0°
CAYCAZCBD120.0°120.0°
CAYCAZCBA120.4°120.0°
CBDCAZCBA119.7°120.0°
CAZCBDCBC119.4°120.0°
CAZCBDFBE121.0°120.0°
CAZCBAHBA109.5°109.4°
CAZCBAHBAA109.4°109.5°
CAZCBAHBAB109.4°109.5°
HBACBAHBAA109.4°109.5°
HBACBAHBAB109.5°109.5°
HBAACBAHBAB109.5°109.5°
CBCCBBHBB119.8°120.0°
CBBCBCHBC119.9°120.0°
CBBCBCCBD120.3°120.0°
HBCCBCCBD119.9°120.0°
CBCCBDFBE119.6°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAANABCACH28180.0°179.9°
OAANABCACOAD0.8°5.0°
OAANABCACCAE179.8°175.1°
NABCACOADCAE179.1°179.9°
NABCACCAECAF142.5°143.9°
NABCACCAEHAE20.1°23.9°
NABCACCAECAK107.3°96.1°
CACNABOAAH270.3°180.0°
OADCACCAECAF36.7°36.3°
OADCACCAEHAE159.1°156.2°
OADCACCAECAK73.6°83.8°
OADCACNABH28179.2°175.0°
CACCAECAFHAE128.6°120.0°
CACCAECAFCAK101.7°120.1°
CACCAEHAECAK113.8°120.1°
CACCAECAFCAG54.1°65.2°
CACCAECAFHAF174.1°174.8°
CACCAECAFHAFA65.9°54.8°
CACCAECAKHAK36.9°55.6°
CACCAECAKCAQ156.9°64.4°
CAECACNABH280.1°4.8°
CACCAECAKH2983.1°175.6°
CAFCAEHAECAK122.1°119.9°
CAECAFCAGHAF120.0°120.0°
CAECAFCAGHAFA120.0°119.9°
CAECAFHAFHAFA117.7°120.0°
CAECAFCAGCAH166.4°174.7°
CAECAFCAGOAL38.5°65.3°
CAECAFCAGHAG75.8°54.8°
CAFCAECAKHAK149.6°64.5°
CAFCAECAKCAQ90.4°175.6°
CAFCAECAKH2929.6°55.6°
HAECAECAFCAG74.5°54.8°
HAECAECAFHAF45.5°65.2°
HAECAECAFHAFA165.5°174.8°
HAECAECAKHAK88.6°175.6°
HAECAECAKCAQ31.4°55.6°
HAECAECAKH29151.4°64.4°
CAGCAFHAFHAFA117.7°120.1°
CAFCAGCAHOAL128.3°120.0°
CAFCAGCAHHAG117.3°120.0°
CAFCAGOALHAG116.7°120.1°
CAFCAGCAHCAI86.8°100.0°
CAFCAGCAHCAM88.8°80.3°
CAGCAFCAECAK155.8°174.8°
CAFCAGOALCAR158.6°103.2°
HAFCAFCAGCAH46.4°65.3°
HAFCAFCAGOAL81.5°54.7°
HAFCAFCAGHAG164.2°174.8°
HAFCAFCAECAK84.2°54.8°
HAFACAFCAGCAH73.5°54.8°
HAFACAFCAGOAL158.5°174.8°
HAFACAFCAGHAG44.2°65.2°
HAFACAFCAECAK35.8°65.3°
CAHCAGOALHAG117.3°120.0°
CAGCAHCAICAM175.3°179.7°
CAGCAHCAICAJ177.0°180.0°
CAGCAHCAIHAI3.0°0.0°
CAHCAGOALCAR75.4°136.9°
CAGCAHCAMCAN177.7°180.0°
CAGCAHCAMHAM2.2°0.1°
OALCAGCAHCAI144.9°140.0°
OALCAGCAHCAM39.5°39.7°
CAGOALCARHAR180.0°59.1°
CAGOALCARHARA60.0°61.0°
CAGOALCARHARB60.0°179.0°
HAGCAGCAHCAI30.5°20.0°
HAGCAGCAHCAM153.9°159.7°
HAGCAGOALCAR41.8°16.9°
CAHCAICAJHAI180.0°180.0°
CAHCAICAJCAO0.7°0.0°
CAHCAICAJHAJ179.4°180.0°
CAICAHCAMCAN2.3°0.3°
CAICAHCAMHAM177.7°179.8°
CAMCAHCAICAJ1.7°0.3°
CAMCAHCAIHAI178.3°179.7°
CAHCAMCANHAM180.0°179.9°
CAHCAMCANCAO1.8°0.0°
CAHCAMCANHAN178.2°180.0°
CAICAJCAOHAJ180.0°179.9°
CAICAJCAOCAN0.3°0.2°
CAICAJCAOFAP180.0°180.0°
HAICAICAJCAO179.4°180.0°
HAICAICAJHAJ0.6°0.0°
CAJCAOCANCAM0.9°0.2°
CAJCAOCANFAP179.7°179.8°
CAJCAOCANHAN179.1°179.8°
HAJCAJCAOCAN179.7°179.7°
HAJCAJCAOFAP0.0°0.1°
CAECAKHAKCAQ130.4°120.0°
CAECAKHAKH29114.8°120.0°
CAECAKCAQH29120.0°120.0°
CAECAKCAQHAQ61.2°57.5°
CAECAKCAQNAT178.8°177.6°
CAECAKCAQH3058.8°62.5°
HAKCAKCAQH29120.0°120.0°
HAKCAKCAQHAQ178.8°177.5°
HAKCAKCAQNAT58.8°62.5°
HAKCAKCAQH3061.2°57.5°
OALCARHARHARA120.0°120.0°
OALCARHARHARB120.0°120.0°
OALCARHARAHARB119.9°120.0°
CAMCANCAOHAN180.0°180.0°
CAMCANCAOFAP179.4°180.0°
HAMCAMCANCAO178.1°179.9°
HAMCAMCANHAN1.9°0.0°
HANCANCAOFAP0.6°0.0°
CAKCAQHAQNAT124.9°120.0°
CAKCAQHAQH30117.6°120.0°
CAKCAQNATCAS99.0°66.0°
CAKCAQNATH30120.0°120.0°
CAKCAQNATCAU21.1°170.0°
HAQCAQNATCAS141.0°54.0°
HAQCAQNATH30120.0°120.0°
HAQCAQNATCAU98.9°70.0°
HAQCAQCAKH2958.8°62.5°
HARCARHARAHARB120.0°119.9°
NATCASHASHASA120.0°120.0°
NATCASHASHASB120.0°120.0°
NATCASHASAHASB120.0°120.0°
CASNATCAQCAU120.1°124.0°
CASNATCAUHAU32.9°54.0°
CASNATCAUCAV152.9°66.0°
CASNATCAQH3021.0°174.0°
CASNATCAUH3187.1°174.0°
HASCASHASAHASB120.0°120.0°
HASCASNATCAQ180.0°60.0°
HASCASNATCAU58.7°64.0°
HASACASNATCAQ60.0°180.0°
HASACASNATCAU178.7°56.0°
HASBCASNATCAQ60.0°59.9°
HASBCASNATCAU61.3°176.0°
CAQNATCAUHAU152.1°70.0°
CAQNATCAUCAV87.9°170.0°
NATCAQCAKH2961.2°57.5°
CAQNATCAUH3132.1°50.0°
NATCAUHAUCAV129.1°120.0°
NATCAUHAUH31115.5°120.0°
NATCAUCAVH31120.0°120.1°
NATCAUCAVCAW13.6°180.0°
NATCAUCAVHAV106.4°60.1°
CAUNATCAQH30141.1°50.0°
NATCAUCAVH32133.6°60.0°
HAUCAUCAVH31120.0°119.9°
HAUCAUCAVCAW133.6°60.0°
HAUCAUCAVHAV13.6°180.0°
HAUCAUCAVH32106.4°60.0°
CAUCAVCAWHAV120.0°120.0°
CAUCAVCAWH32120.0°120.0°
CAUCAVHAVH32116.3°120.1°
CAUCAVCAWCAX150.9°180.0°
CAUCAVCAWHAW30.9°60.0°
CAUCAVCAWHAWA89.1°60.0°
CAWCAVHAVH32116.4°120.0°
CAVCAWCAXHAW120.0°119.9°
CAVCAWCAXHAWA120.0°120.0°
CAVCAWHAWHAWA114.9°119.9°
CAVCAWCAXCBB97.1°90.0°
CAVCAWCAXCAY86.0°89.8°
CAWCAVCAUH31106.4°59.9°
HAVCAVCAWCAX89.1°60.0°
HAVCAVCAWHAW150.9°180.0°
HAVCAVCAWHAWA30.9°60.0°
HAVCAVCAUH31133.6°60.0°
CAXCAWHAWHAWA114.9°120.1°
CAWCAXCBBCAY177.0°179.8°
CAWCAXCAYCAZ177.7°180.0°
CAWCAXCAYHAY2.3°0.0°
CAWCAXCBBCBC177.7°180.0°
CAWCAXCBBHBB2.3°0.0°
CAXCAWCAVH3230.9°60.0°
HAWCAWCAXCBB22.9°29.9°
HAWCAWCAXCAY154.0°150.3°
HAWCAWCAVH3289.1°60.0°
HAWACAWCAXCBB142.9°150.0°
HAWACAWCAXCAY34.0°30.2°
HAWACAWCAVH32150.9°180.0°
CBBCAXCAYCAZ0.7°0.2°
CBBCAXCAYHAY179.2°179.7°
CAXCBBCBCHBB180.0°180.0°
CAXCBBCBCHBC179.8°179.9°
CAXCBBCBCCBD0.2°0.0°
CAXCAYCAZHAY180.0°180.0°
CAXCAYCAZCBD0.2°0.0°
CAXCAYCAZCBA179.3°180.0°
CAYCAXCBBCBC0.7°0.3°
CAYCAXCBBHBB179.3°179.7°
CAYCAZCBDCBA179.6°180.0°
CAYCAZCBAHBA89.8°90.1°
CAYCAZCBAHBAA150.3°150.0°
CAYCAZCBAHBAB30.2°29.9°
CAYCAZCBDCBC0.3°0.3°
CAYCAZCBDFBE179.4°180.0°
HAYCAYCAZCBD179.7°180.0°
HAYCAYCAZCBA0.7°0.1°
CBDCAZCBAHBA89.8°90.0°
CBDCAZCBAHBAA30.2°30.0°
CBDCAZCBAHBAB150.2°150.0°
CAZCBDCBCCBB0.3°0.3°
CAZCBDCBCHBC179.7°179.7°
CAZCBDCBCFBE179.1°179.8°
CAZCBAHBAHBAA120.0°120.0°
CAZCBAHBAHBAB120.0°120.0°
CAZCBAHBAAHBAB120.0°120.0°
CBACAZCBDCBC179.8°179.8°
CBACAZCBDFBE1.0°0.0°
HBACBAHBAAHBAB120.0°120.1°
CBBCBCHBCCBD180.0°179.9°
CBBCBCCBDFBE179.4°180.0°
HBBCBBCBCHBC0.2°0.0°
HBBCBBCBCCBD179.8°180.0°
HBCCBCCBDFBE0.6°0.1°
H27OAANABH28179.7°0.1°
H29CAKCAQH30178.8°177.5°
H31CAUCAVH3213.6°179.9°

248636

PDB entries from 2026-02-04

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