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QP2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CACCAAsing1.53Å1.57Å
NARCAQsing1.48Å1.49Å
NARCASsing1.47Å1.50Å
OBBCAEdoub1.21Å1.28Å
CAQCAPsing1.55Å1.53Å
CASCAUsing1.53Å1.56Å
CASCATsing1.54Å1.56Å
CAAOABsing1.43Å1.41Å
CAACADsing1.53Å1.53Å
CAUNAVsing1.47Å1.49Å
OAXCAWsing1.43Å1.44Å
CAGNAHsing1.47Å1.48Å
CAGCADsing1.53Å1.58Å
CAGCAIsing1.54Å1.54Å
CAECADsing1.51Å1.51Å
CAEOAFsing1.34Å1.28Å
NAHCAKsing1.40Å1.34Å
OANCALdoub1.22Å1.25Å
CAICAJsing1.51Å1.44Å
CAICBAsing1.53Å1.54Å
CAPCATsing1.55Å1.59Å
CAPSAOsing1.81Å1.80Å
CAKCAJdoub1.35Å1.37Å
CAKCALsing1.42Å1.36Å
CAJSAOsing1.76Å1.86Å
CALOAMsing1.35Å1.28Å
NAVCAWsing1.47Å1.51Å
CAWNAZsing1.47Å1.45Å
CAWOAYsing1.43Å1.44Å
CACH1sing1.09Å1.10Å
CACH2sing1.09Å1.10Å
CACH3sing1.09Å1.10Å
CAAH4sing1.09Å1.10Å
OABH5sing0.97Å0.95Å
CADH6sing1.09Å1.10Å
OAFH7sing0.97Å0.95Å
CAGH8sing1.09Å1.10Å
CAIH9sing1.09Å1.10Å
CBAH10sing1.09Å1.10Å
CBAH11sing1.09Å1.10Å
CBAH12sing1.09Å1.10Å
NAHH13sing0.97Å1.00Å
OAMH14sing0.97Å0.95Å
CAPH15sing1.09Å1.10Å
CATH16sing1.09Å1.10Å
CATH17sing1.09Å1.10Å
CAQH18sing1.09Å1.10Å
CAQH19sing1.09Å1.10Å
NARH20sing1.01Å1.00Å
CASH22sing1.09Å1.10Å
CAUH23sing1.09Å1.10Å
CAUH24sing1.09Å1.10Å
NAVH25sing1.01Å1.00Å
OAXH27sing0.97Å0.95Å
OAYH28sing0.97Å0.95Å
NAZH29sing1.01Å1.00Å
NAZH30sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CACCAAOAB113.6°109.5°
CACCAACAD113.3°109.5°
CAACACH1109.5°109.5°
CAACACH2109.4°109.5°
CAACACH3109.5°109.5°
CACCAAH4105.9°109.4°
CAQNARCAS105.3°108.5°
NARCAQCAP102.4°104.8°
NARCAQH18111.2°110.4°
NARCAQH19111.2°110.5°
CAQNARH20110.5°111.0°
NARCASCAU111.9°109.9°
NARCASCAT105.4°107.3°
CASNARH20110.5°111.1°
NARCASH22109.0°109.9°
OBBCAECAD114.8°119.9°
OBBCAEOAF126.3°120.0°
CAQCAPCAT100.4°101.7°
CAQCAPSAO114.2°111.0°
CAQCAPH15113.2°111.0°
CAPCAQH18111.2°110.4°
CAPCAQH19111.2°110.4°
CAUCASCAT113.9°109.9°
CASCAUNAV114.1°109.4°
CAUCASH22108.3°109.8°
CASCAUH23108.3°109.5°
CASCAUH24108.3°109.5°
CASCATCAP104.1°103.0°
CASCATH16110.8°110.7°
CASCATH17110.8°110.9°
CATCASH22108.3°110.0°
OABCAACAD109.6°109.5°
OABCAAH4107.7°109.5°
CAAOABH5109.5°114.0°
CAACADCAG106.4°109.5°
CAACADCAE112.2°109.5°
CADCAAH4106.3°109.5°
CAACADH6108.9°109.5°
CAUNAVCAW119.3°110.9°
NAVCAUH23108.3°109.5°
NAVCAUH24108.3°109.5°
CAUNAVH25107.0°111.0°
OAXCAWNAV112.5°109.5°
OAXCAWNAZ109.7°109.5°
OAXCAWOAY109.2°109.5°
CAWOAXH27109.5°114.0°
NAHCAGCAD113.7°110.4°
NAHCAGCAI105.0°104.7°
CAGNAHCAK108.2°109.2°
NAHCAGH8108.0°110.4°
CAGNAHH13109.8°125.4°
CADCAGCAI115.7°110.4°
CAGCADCAE111.5°109.5°
CAGCADH6108.4°109.4°
CADCAGH8106.8°110.3°
CAGCAICAJ101.0°104.5°
CAGCAICBA112.4°110.4°
CAICAGH8107.3°110.5°
CAGCAIH9109.8°110.4°
CADCAEOAF118.7°120.0°
CAECADH6109.2°109.4°
CAEOAFH7109.5°117.0°
NAHCAKCAJ111.0°112.7°
NAHCAKCAL121.1°123.6°
CAKNAHH13109.8°125.4°
OANCALCAK117.6°120.0°
OANCALOAM116.6°120.0°
CAJCAICBA112.2°110.4°
CAICAJCAK112.5°108.9°
CAICAJSAO121.0°125.6°
CAJCAIH9111.3°110.4°
CBACAIH9109.8°110.5°
CAICBAH10109.5°109.4°
CAICBAH11109.5°109.5°
CAICBAH12109.5°109.4°
CATCAPSAO106.7°111.0°
CATCAPH15112.2°111.0°
CAPCATH16110.8°110.7°
CAPCATH17110.8°110.7°
CAPSAOCAJ105.6°100.0°
SAOCAPH15109.6°110.9°
CAJCAKCAL127.9°123.6°
CAKCAJSAO126.4°125.5°
CAKCALOAM125.8°120.0°
CALOAMH14109.5°114.0°
NAVCAWNAZ107.5°109.5°
NAVCAWOAY112.1°109.5°
CAWNAVH25107.0°111.0°
NAZCAWOAY105.6°109.5°
CAWNAZH29109.5°111.0°
CAWNAZH30109.5°111.0°
CAWOAYH28109.5°114.0°
H1CACH2109.5°109.4°
H1CACH3109.5°109.4°
H2CACH3109.5°109.5°
H10CBAH11109.4°109.5°
H10CBAH12109.5°109.4°
H11CBAH12109.5°109.6°
H16CATH17109.5°110.6°
H18CAQH19109.5°110.4°
H23CAUH24109.5°109.5°
H29NAZH30109.4°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CACCAAOABCAD127.9°120.0°
CACCAAOABH4116.9°120.0°
CACCAACADH4115.9°120.0°
CACCAACADCAG47.2°60.0°
CACCAACADCAE75.0°180.0°
CAACACH1H2120.0°120.0°
CAACACH1H3120.0°120.0°
CAACACH2H3120.0°120.1°
CACCAAOABH5180.0°60.0°
CACCAACADH6163.9°60.0°
CAQNARCASH20119.3°122.3°
NARCAQCAPH18118.9°118.8°
NARCAQCAPH19118.9°118.9°
CAQNARCASCAU149.6°118.4°
CAQNARCASCAT25.3°1.0°
NARCAQCAPCAT45.5°37.1°
NARCAQCAPSAO68.3°155.2°
NARCAQCAPH15165.3°81.0°
NARCAQH18H19123.3°122.4°
CAQNARCASH2290.7°120.6°
CASNARCAQCAP45.3°24.1°
NARCASCAUCAT119.4°117.8°
NARCASCAUH22120.1°121.0°
NARCASCATH22116.5°119.5°
NARCASCAUNAV166.3°56.4°
NARCASCATCAP3.4°22.3°
NARCASCATH16122.5°140.7°
NARCASCATH17115.7°96.2°
CASNARCAQH1873.6°94.7°
CASNARCAQH19164.1°143.0°
NARCASCAUH2345.6°176.4°
NARCASCAUH2473.0°63.6°
OBBCAECADCAA96.2°0.9°
OBBCAECADCAG23.1°119.1°
OBBCAECADOAF175.1°180.0°
OBBCAECADH6142.9°121.0°
OBBCAEOAFH70.0°5.0°
CAQCAPCATCAS29.5°35.6°
CAQCAPCATSAO119.4°118.1°
CAQCAPCATH15120.5°118.1°
CAQCAPSAOH15128.2°123.9°
CAQCAPSAOCAJ57.6°75.2°
CAQCAPCATH16148.6°154.0°
CAQCAPCATH1789.6°82.9°
CAPCAQH18H19123.3°122.3°
CAPCAQNARH2074.1°146.4°
CAUCASCATH22120.5°121.1°
CASCAUNAVH23120.7°120.0°
CASCAUNAVH24120.7°120.0°
CAUCASCATCAP119.6°141.7°
CASCAUNAVCAW160.7°180.0°
CAUCASCATH160.5°99.9°
CAUCASCATH17121.2°23.2°
CAUCASNARH2030.3°3.8°
CASCAUH23H24117.9°120.0°
CASCAUNAVH2539.3°56.1°
CATCASCAUNAV46.9°174.3°
CASCATCAPH16119.1°118.4°
CASCATCAPH17119.1°118.6°
CASCATCAPSAO89.9°153.7°
CASCATCAPH15150.0°82.5°
CASCATH16H17122.5°123.3°
CATCASNARH2094.0°123.2°
CATCASCAUH2373.8°65.8°
CATCASCAUH24167.6°54.2°
OABCAACADH4116.1°120.0°
OABCAACADCAG175.2°60.0°
OABCAACADCAE53.0°60.0°
OABCAACACH1180.0°60.0°
OABCAACACH260.0°179.9°
OABCAACACH360.0°60.0°
OABCAACADH668.1°180.0°
CAACADCAGNAH171.5°94.3°
CAACADCAGCAE122.7°120.0°
CAACADCAGH6117.0°120.0°
CAACADCAGCAI66.9°150.5°
CAACADCAEH6120.9°120.0°
CAACADCAEOAF88.7°179.1°
CADCAACACH154.1°180.0°
CADCAACACH265.9°60.0°
CADCAACACH3174.1°60.1°
CADCAAOABH552.1°180.0°
CAACADCAGH852.4°28.0°
CAUNAVCAWOAX16.7°180.0°
CAUNAVCAWH25121.4°123.9°
CAUNAVCAWNAZ137.6°60.0°
CAUNAVCAWOAY106.8°60.0°
NAVCAUCASH2273.5°64.6°
NAVCAUH23H24117.9°120.0°
OAXCAWNAVNAZ120.9°120.0°
OAXCAWNAVOAY123.5°120.0°
OAXCAWNAZOAY117.5°120.0°
OAXCAWNAVH25104.7°56.1°
OAXCAWOAYH28180.0°60.0°
OAXCAWNAZH29180.0°176.0°
OAXCAWNAZH3060.0°60.0°
NAHCAGCADCAI121.6°115.2°
NAHCAGCADH8119.1°122.3°
NAHCAGCAIH8114.7°118.8°
NAHCAGCADCAE48.8°25.8°
CAGNAHCAKH13119.8°180.0°
NAHCAGCAICAJ14.3°0.0°
NAHCAGCAICBA105.4°118.8°
CAGNAHCAKCAJ8.4°0.0°
CAGNAHCAKCAL170.2°180.0°
NAHCAGCADH671.5°145.7°
NAHCAGCAIH9132.0°118.7°
CADCAGCAIH8119.0°122.4°
CAGCADCAEH6119.8°119.9°
CAGCADCAEOAF152.0°60.9°
CADCAGNAHCAK141.8°118.8°
CADCAGCAICAJ140.6°118.8°
CADCAGCAICBA20.8°0.0°
CAGCADCAAH468.7°180.0°
CADCAGCAIH9101.8°122.5°
CADCAGNAHH1322.0°61.1°
CAICAGCADCAE170.4°89.5°
CAICAGNAHCAK14.4°0.0°
CAGCAICAJCBA119.9°118.8°
CAGCAICAJH9116.6°118.8°
CAGCAICBAH9122.6°122.5°
CAGCAICAJCAK10.3°0.0°
CAGCAICAJSAO173.3°180.0°
CAICAGCADH650.1°30.5°
CAGCAICBAH10180.0°56.1°
CAGCAICBAH1160.0°176.1°
CAGCAICBAH1260.0°63.9°
CAICAGNAHH13105.4°180.0°
CAECADCAAH4169.1°60.0°
CADCAEOAFH7174.5°175.0°
CAECADCAGH870.3°148.0°
OAFCAECADH632.2°59.1°
NAHCAKCALOAN7.2°174.5°
NAHCAKCAJCAI1.8°0.0°
NAHCAKCAJCAL178.5°180.0°
NAHCAKCAJSAO177.9°180.0°
NAHCAKCALOAM175.2°5.6°
CAKNAHCAGH899.8°118.9°
OANCALCAKCAJ171.1°5.5°
OANCALCAKOAM177.6°179.9°
OANCALOAMH140.0°0.1°
CAJCAICBAH9124.4°122.4°
CAICAJSAOCAP33.8°65.3°
CAICAJCAKSAO176.1°180.0°
CAICAJCAKCAL179.7°180.0°
CAJCAICAGH8100.4°118.8°
CAJCAICBAH1067.0°59.1°
CAJCAICBAH11173.0°60.9°
CAJCAICBAH1253.0°179.0°
CBACAICAJCAK109.6°118.8°
CBACAICAJSAO66.8°61.2°
CBACAICAGH8139.9°122.4°
CAICBAH10H11120.0°120.0°
CAICBAH10H12120.0°119.9°
CAICBAH11H12120.0°120.0°
CATCAPSAOH15121.8°123.9°
CATCAPSAOCAJ167.6°172.5°
CAPCATH16H17122.5°123.1°
CATCAPCAQH1873.4°81.8°
CATCAPCAQH19164.3°156.0°
CAPCATCASH22119.9°97.2°
CAPSAOCAJCAK150.3°114.7°
SAOCAPCATH1629.2°87.9°
SAOCAPCATH17151.0°35.2°
SAOCAPCAQH18172.8°36.4°
SAOCAPCAQH1950.6°85.9°
CAJCAKCALOAM6.5°174.5°
CAKCAJCAIH9126.9°118.8°
CAJCAKNAHH13111.4°180.0°
CALCAKCAJSAO3.6°0.0°
CALCAKNAHH1370.0°0.0°
CAKCALOAMH14177.6°180.0°
SAOCAJCAIH956.7°61.2°
CAJSAOCAPH1570.6°48.7°
NAVCAWNAZOAY119.9°120.0°
CAWNAVCAUH2378.6°60.1°
CAWNAVCAUH2440.0°60.0°
NAVCAWOAXH27180.0°180.0°
NAVCAWOAYH2854.7°60.0°
NAVCAWNAZH2957.4°64.0°
NAVCAWNAZH30177.4°60.0°
NAZCAWNAVH2516.2°63.9°
NAZCAWOAXH2760.4°60.0°
NAZCAWOAYH2862.1°180.0°
CAWNAZH29H30120.0°124.0°
OAYCAWNAVH25131.8°176.1°
OAYCAWOAXH2754.9°60.0°
OAYCAWNAZH2962.5°56.0°
OAYCAWNAZH3057.5°180.0°
H1CACH2H3120.0°119.9°
H1CACCAAH462.1°60.0°
H2CACCAAH4177.9°59.9°
H3CACCAAH457.9°180.0°
H4CAAOABH563.2°60.0°
H4CAACADH648.0°60.0°
H6CADCAGH8169.4°92.0°
H8CAGCAIH917.3°0.1°
H8CAGNAHH13140.4°61.1°
H9CAICBAH1057.4°178.5°
H9CAICBAH1162.6°61.5°
H9CAICBAH12177.4°58.6°
H10CBAH11H12120.0°120.0°
H15CAPCATH1690.9°35.9°
H15CAPCATH1730.9°158.9°
H15CAPCAQH1846.4°160.1°
H15CAPCAQH1975.8°37.9°
H16CATCASH22120.9°21.1°
H17CATCASH220.8°144.3°
H18CAQNARH20167.1°27.6°
H19CAQNARH2044.8°94.7°
H20NARCASH22150.0°117.1°
H22CASCAUH23165.8°55.4°
H22CASCAUH2447.2°175.4°
H23CAUNAVH25160.0°176.1°
H24CAUNAVH2581.4°63.9°

223532

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