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WZB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAHSBDdoub1.42Å1.45Å
SBDOAGdoub1.42Å1.43Å
SBDNADsing1.66Å1.53Å
SBDOASsing1.52Å1.64Å
OASCAXsing1.43Å1.43Å
CAXCAMsing1.55Å1.54Å
CAXCBBsing1.53Å1.52Å
CAMCAOsing1.55Å1.54Å
CAOCBAsing1.53Å1.53Å
CBBCBAsing1.55Å1.53Å
CBBCABsing1.53Å1.54Å
CBBCAQsing1.51Å1.54Å
CBACAZsing1.51Å1.53Å
CAQCAPsing1.54Å1.54Å
CAPCAYsing1.52Å1.53Å
CAYCAZsing1.53Å1.54Å
CAYCAWsing1.50Å1.49Å
CAZCANsing1.53Å1.53Å
CANCALsing1.53Å1.53Å
CALCAUsing1.51Å1.52Å
CAUCAIdoub1.39Å1.42ÅAromatic
CAUCAWsing1.38Å1.40ÅAromatic
CAICAVsing1.38Å1.42ÅAromatic
CAWCAJdoub1.39Å1.27ÅAromatic
CAJCATsing1.38Å1.28ÅAromatic
CATCAKsing1.51Å1.52Å
CATCAVdoub1.39Å1.40ÅAromatic
CAKCAAsing1.53Å1.52Å
CAVOARsing1.36Å1.38Å
OARSBCsing1.52Å1.64Å
SBCOAFdoub1.42Å1.48Å
SBCOAEdoub1.42Å1.48Å
SBCNACsing1.66Å1.52Å
NADHAD1sing0.97Å1.00Å
NADHAD2sing0.97Å1.00Å
CAXHAXsing1.09Å1.10Å
CAMHAM1sing1.09Å1.10Å
CAMHAM2sing1.09Å1.10Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CAZHAZsing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAYHAYsing1.09Å1.10Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
CALHAL1sing1.09Å1.10Å
CALHAL2sing1.09Å1.10Å
CAIHAIsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAKHAK1sing1.09Å1.10Å
CAKHAK2sing1.09Å1.10Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
NACHAC1sing0.97Å1.00Å
NACHAC2sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAHSBDOAG112.6°123.1°
OAHSBDNAD111.9°106.4°
OAHSBDOAS106.5°106.4°
OAGSBDNAD107.9°106.4°
OAGSBDOAS110.9°106.4°
NADSBDOAS106.9°107.2°
SBDNADHAD1109.5°119.9°
SBDNADHAD2109.4°120.0°
SBDOASCAX119.7°114.0°
OASCAXCAM113.7°110.3°
OASCAXCBB111.3°110.3°
OASCAXHAX104.0°110.2°
CAMCAXCBB105.6°105.3°
CAXCAMCAO105.7°106.3°
CAMCAXHAX109.9°110.3°
CAXCAMHAM1110.8°110.1°
CAXCAMHAM2111.6°110.1°
CAXCBBCBA96.5°103.3°
CAXCBBCAB108.6°109.6°
CAXCBBCAQ115.9°116.8°
CBBCAXHAX112.4°110.3°
CAMCAOCBA101.4°103.0°
CAOCAMHAM1110.7°110.0°
CAOCAMHAM2111.6°110.1°
CAMCAOHAO1112.2°110.8°
CAMCAOHAO2114.0°110.7°
CAOCBACBB105.3°101.6°
CAOCBACAZ121.4°116.1°
CBACAOHAO1112.3°110.7°
CBACAOHAO2113.9°110.7°
CAOCBAHBA105.9°110.5°
CBACBBCAB115.5°109.6°
CBACBBCAQ110.9°108.1°
CBBCBACAZ113.9°106.4°
CBBCBAHBA114.9°110.6°
CABCBBCAQ109.1°109.2°
CBBCABHAB1109.5°109.4°
CBBCABHAB2109.5°109.4°
CBBCABHAB3109.5°109.5°
CBBCAQCAP112.4°107.6°
CBBCAQHAQ1108.5°109.8°
CBBCAQHAQ2107.8°109.8°
CBACAZCAY107.1°106.9°
CBACAZCAN113.5°111.8°
CAZCBAHBA95.4°111.1°
CBACAZHAZ109.1°109.7°
CAQCAPCAY109.9°110.6°
CAPCAQHAQ1108.5°109.8°
CAPCAQHAQ2107.8°109.8°
CAQCAPHAP1109.3°109.3°
CAQCAPHAP2109.2°109.3°
CAPCAYCAZ111.5°111.5°
CAPCAYCAW114.3°112.0°
CAYCAPHAP1109.3°109.2°
CAYCAPHAP2109.2°109.2°
CAPCAYHAY105.0°107.9°
CAZCAYCAW110.7°110.2°
CAYCAZCAN111.6°107.9°
CAYCAZHAZ111.1°109.7°
CAZCAYHAY109.0°107.9°
CAYCAWCAU123.8°121.9°
CAYCAWCAJ130.1°118.3°
CAWCAYHAY105.9°107.2°
CAZCANCAL109.9°108.2°
CANCAZHAZ104.4°110.6°
CAZCANHAN1109.3°109.7°
CAZCANHAN2109.2°109.7°
CANCALCAU111.2°111.3°
CALCANHAN1109.3°109.7°
CALCANHAN2109.2°109.7°
CANCALHAL1108.9°109.1°
CANCALHAL2108.5°109.1°
CALCAUCAI120.4°117.6°
CALCAUCAW122.2°122.8°
CAUCALHAL1108.9°109.2°
CAUCALHAL2108.5°109.1°
CAICAUCAW117.3°119.5°
CAUCAICAV123.4°120.6°
CAUCAIHAI118.3°119.7°
CAUCAWCAJ106.1°119.9°
CAICAVCAT117.6°119.7°
CAICAVOAR119.9°120.1°
CAVCAIHAI118.3°119.7°
CAWCAJCAT149.8°120.7°
CAWCAJHAJ105.1°119.7°
CAJCATCAK128.5°120.2°
CAJCATCAV105.8°119.7°
CATCAJHAJ105.1°119.7°
CAKCATCAV125.7°120.1°
CATCAKCAA107.7°109.4°
CATCAKHAK1110.1°109.5°
CATCAKHAK2110.5°109.5°
CATCAVOAR122.4°120.2°
CAACAKHAK1110.1°109.5°
CAACAKHAK2110.4°109.4°
CAKCAAHAA1109.5°109.5°
CAKCAAHAA2109.4°109.5°
CAKCAAHAA3109.5°109.4°
CAVOARSBC119.5°114.0°
OARSBCOAF108.1°106.4°
OARSBCOAE109.9°106.4°
OARSBCNAC111.5°107.2°
OAFSBCOAE108.9°123.2°
OAFSBCNAC109.6°106.4°
OAESBCNAC108.8°106.4°
SBCNACHAC1109.5°120.0°
SBCNACHAC2109.4°120.0°
HAD1NADHAD2109.5°120.0°
HAM1CAMHAM2106.6°110.1°
HAO1CAOHAO2103.4°110.8°
HAB1CABHAB2109.4°109.5°
HAB1CABHAB3109.4°109.5°
HAB2CABHAB3109.5°109.5°
HAQ1CAQHAQ2111.8°110.0°
HAP1CAPHAP2109.8°109.2°
HAN1CANHAN2109.8°109.8°
HAL1CALHAL2110.8°109.1°
HAK1CAKHAK2108.1°109.5°
HAA1CAAHAA2109.5°109.5°
HAA1CAAHAA3109.4°109.5°
HAA2CAAHAA3109.5°109.5°
HAC1NACHAC2109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAHSBDOAGNAD124.0°122.9°
OAHSBDOAGOAS119.2°123.0°
OAHSBDNADOAS116.2°113.6°
OAHSBDOASCAX178.7°38.5°
OAHSBDNADHAD1103.9°113.5°
OAHSBDNADHAD2136.1°66.4°
OAGSBDNADOAS119.4°113.6°
OAGSBDOASCAX55.9°171.5°
OAGSBDNADHAD1131.7°113.6°
OAGSBDNADHAD211.7°66.4°
NADSBDOASCAX61.5°75.0°
SBDNADHAD1HAD2120.0°180.0°
SBDOASCAXCAM96.6°96.4°
SBDOASCAXCBB144.2°147.7°
OASSBDNADHAD112.4°0.0°
OASSBDNADHAD2107.6°180.0°
SBDOASCAXHAX22.9°25.6°
OASCAXCAMCBB122.3°118.9°
OASCAXCAMHAX116.2°122.0°
OASCAXCBBHAX116.3°122.0°
OASCAXCAMCAO144.6°122.4°
OASCAXCBBCBA167.1°148.2°
OASCAXCBBCAB47.4°31.5°
OASCAXCBBCAQ75.9°93.3°
OASCAXCAMHAM195.5°118.4°
OASCAXCAMHAM223.1°3.2°
CAMCAXCBBHAX119.8°119.0°
CAXCAMCAOHAM1120.0°119.2°
CAXCAMCAOHAM2121.5°119.3°
CAXCAMCAOCBA9.0°24.0°
CAMCAXCBBCBA43.2°29.3°
CAMCAXCBBCAB76.5°87.4°
CAMCAXCBBCAQ160.2°147.8°
CAXCAMHAM1HAM2121.5°121.6°
CAXCAMCAOHAO1129.0°142.4°
CAXCAMCAOHAO2113.9°94.3°
CBBCAXCAMCAO22.2°3.5°
CAXCBBCBACAO50.1°44.5°
CAXCBBCBACAB114.2°116.7°
CAXCBBCBACAQ121.0°124.4°
CAXCBBCABCAQ127.3°129.1°
CAXCBBCBACAZ174.6°166.3°
CAXCBBCAQCAP159.5°179.4°
CBBCAXCAMHAM1142.2°122.7°
CBBCAXCAMHAM299.2°115.8°
CAXCBBCBAHBA66.0°72.8°
CAXCBBCABHAB167.0°61.5°
CAXCBBCABHAB2173.0°178.5°
CAXCBBCABHAB353.0°58.5°
CAXCBBCAQHAQ180.5°61.2°
CAXCBBCAQHAQ240.8°59.9°
CAMCAOCBAHAO1120.0°118.4°
CAMCAOCBAHAO2122.9°118.4°
CAMCAOCBACBB37.4°41.7°
CAMCAOCBACAZ168.5°156.6°
CAOCAMCAXHAX99.3°115.6°
CAOCAMHAM1HAM2121.5°121.5°
CAMCAOHAO1HAO2123.3°123.2°
CAMCAOCBAHBA84.7°75.7°
CAOCBACBBCAZ135.3°121.9°
CAOCBACBBHBA116.1°117.3°
CAOCBACBBCAB64.1°72.2°
CAOCBACBBCAQ171.1°168.8°
CAOCBACAZHBA112.3°127.3°
CAOCBACAZCAY175.2°177.4°
CAOCBACAZCAN51.5°64.8°
CBACAOCAMHAM1111.0°95.2°
CBACAOCAMHAM2130.4°143.3°
CBACAOHAO1HAO2123.3°123.2°
CAOCBACAZHAZ64.4°58.4°
CBACBBCABCAQ125.7°118.3°
CBBCBACAZHBA120.3°120.5°
CBACBBCAQCAP50.8°63.6°
CBBCBACAZCAY57.4°65.2°
CBBCBACAZCAN178.9°176.9°
CBACBBCAXHAX76.7°89.8°
CBBCBACAOHAO1157.3°160.1°
CBBCBACAOHAO285.5°76.7°
CBACBBCABHAB1174.1°174.1°
CBACBBCABHAB265.9°65.9°
CBACBBCABHAB354.1°54.1°
CBACBBCAQHAQ1170.8°177.0°
CBACBBCAQHAQ267.9°55.9°
CBBCBACAZHAZ63.0°53.8°
CABCBBCBACAZ71.2°49.6°
CABCBBCAQCAP77.5°55.6°
CABCBBCAXHAX163.6°153.5°
CABCBBCBAHBA179.8°170.5°
CBBCABHAB1HAB2120.0°119.9°
CBBCABHAB1HAB3120.0°120.0°
CBBCABHAB2HAB3120.0°120.0°
CABCBBCAQHAQ142.5°63.8°
CABCBBCAQHAQ2163.8°175.1°
CAQCBBCBACAZ53.6°69.3°
CBBCAQCAPHAQ1120.0°119.5°
CBBCAQCAPHAQ2118.7°119.5°
CBBCAQCAPCAY54.2°57.0°
CAQCBBCAXHAX40.3°28.7°
CAQCBBCBAHBA55.0°51.5°
CAQCBBCABHAB160.2°67.6°
CAQCBBCABHAB259.8°52.4°
CAQCBBCABHAB3179.8°172.4°
CBBCAQHAQ1HAQ2118.8°121.0°
CBBCAQCAPHAP165.8°63.3°
CBBCAQCAPHAP2174.0°177.3°
CBACAZCAYCAP60.1°60.2°
CBACAZCAYCAN124.8°120.4°
CBACAZCAYHAZ119.1°119.0°
CBACAZCAYCAW171.5°174.8°
CBACAZCANHAZ118.7°122.7°
CBACAZCANCAL174.2°172.5°
CAZCBACAOHAO171.5°85.0°
CAZCBACAOHAO245.6°38.2°
CBACAZCAYHAY55.4°58.0°
CBACAZCANHAN165.8°67.8°
CBACAZCANHAN254.4°52.9°
CAQCAPCAYHAP1120.0°120.3°
CAQCAPCAYHAP2119.8°120.3°
CAQCAPCAYCAZ59.8°56.1°
CAQCAPCAYCAW173.8°179.9°
CAPCAQHAQ1HAQ2118.8°120.9°
CAQCAPHAP1HAP2119.8°119.5°
CAQCAPCAYHAY58.2°62.1°
CAPCAYCAZCAW128.4°125.0°
CAPCAYCAZHAY115.5°118.2°
CAPCAYCAWHAY115.1°118.1°
CAPCAYCAZCAN175.1°179.3°
CAPCAYCAWCAU142.6°145.3°
CAPCAYCAWCAJ39.9°34.9°
CAYCAPCAQHAQ1174.2°176.5°
CAYCAPCAQHAQ264.5°62.5°
CAPCAYCAZHAZ59.0°58.7°
CAYCAPHAP1HAP2119.8°119.4°
CAZCAYCAWHAY118.1°117.2°
CAYCAZCANHAZ120.1°120.0°
CAYCAZCANCAL64.6°70.2°
CAZCAYCAWCAU15.7°20.6°
CAZCAYCAWCAJ166.8°159.6°
CAYCAZCBAHBA62.9°55.3°
CAZCAYCAPHAP160.2°64.2°
CAZCAYCAPHAP2179.6°176.4°
CAYCAZCANHAN155.4°49.5°
CAYCAZCANHAN2175.5°170.2°
CAWCAYCAZCAN46.7°54.3°
CAYCAWCAUCAL1.5°0.7°
CAYCAWCAUCAI178.9°179.3°
CAYCAWCAUCAJ178.0°179.8°
CAYCAWCAJCAT178.7°179.5°
CAWCAYCAZHAZ69.4°66.3°
CAWCAYCAPHAP166.2°59.8°
CAWCAYCAPHAP253.9°59.6°
CAYCAWCAJHAJ1.3°0.6°
CAZCANCALHAN1120.0°119.7°
CAZCANCALHAN2119.8°119.6°
CAZCANCALCAU47.7°48.8°
CANCAZCBAHBA60.8°62.6°
CANCAZCAYHAY69.4°62.4°
CAZCANHAN1HAN2119.8°120.6°
CAZCANCALHAL1167.6°169.3°
CAZCANCALHAL271.6°71.7°
CANCALCAUHAL1120.0°120.4°
CANCALCAUHAL2119.3°120.4°
CANCALCAUCAI162.8°164.9°
CANCALCAUCAW17.6°15.1°
CALCANCAZHAZ55.5°49.9°
CALCANHAN1HAN2119.8°120.6°
CANCALHAL1HAL2119.3°119.1°
CALCAUCAICAW179.6°180.0°
CALCAUCAICAV179.7°179.6°
CALCAUCAWCAJ179.5°179.5°
CAUCALCANHAN172.3°70.9°
CAUCALCANHAN2167.5°168.4°
CAUCALHAL1HAL2119.3°119.2°
CALCAUCAIHAI0.3°0.4°
CAUCAICAVHAI180.0°180.0°
CAICAUCAWCAJ0.9°0.5°
CAUCAICAVCAT0.0°0.1°
CAUCAICAVOAR179.6°179.9°
CAICAUCALHAL142.8°44.4°
CAICAUCALHAL277.9°74.7°
CAWCAUCAICAV0.7°0.4°
CAUCAWCAJCAT0.9°0.3°
CAUCAWCAYHAY102.3°96.5°
CAWCAUCALHAL1137.6°135.6°
CAWCAUCALHAL2101.6°105.3°
CAWCAUCAIHAI179.3°179.6°
CAUCAWCAJHAJ179.1°179.6°
CAICAVCATCAJ0.3°0.1°
CAICAVCATCAK179.7°179.8°
CAICAVCATOAR179.6°179.9°
CAICAVOARSBC73.6°81.9°
CAWCAJCATHAJ180.0°180.0°
CAWCAJCATCAK179.1°180.0°
CAWCAJCATCAV0.3°0.0°
CAJCAWCAYHAY75.2°83.2°
CAJCATCAKCAV179.2°179.9°
CAJCATCAKCAA96.8°85.1°
CAJCATCAVOAR179.8°179.7°
CAJCATCAKHAK123.2°154.9°
CAJCATCAKHAK2142.5°34.8°
CATCAKCAAHAK1120.0°120.0°
CATCAKCAAHAK2120.7°120.0°
CAKCATCAVOAR0.8°0.3°
CAKCATCAJHAJ0.9°0.0°
CATCAKHAK1HAK2120.7°120.1°
CATCAKCAAHAA1131.6°180.0°
CATCAKCAAHAA2108.4°60.0°
CATCAKCAAHAA311.6°60.0°
CAVCATCAKCAA82.5°95.0°
CATCAVOARSBC105.9°98.0°
CATCAVCAIHAI180.0°180.0°
CAVCATCAJHAJ179.7°180.0°
CAVCATCAKHAK1157.5°25.0°
CAVCATCAKHAK238.2°145.1°
CAACAKHAK1HAK2120.7°119.9°
CAKCAAHAA1HAA2120.0°120.0°
CAKCAAHAA1HAA3120.0°119.9°
CAKCAAHAA2HAA3120.0°120.0°
CAVOARSBCOAF163.5°166.4°
CAVOARSBCOAE77.7°33.4°
CAVOARSBCNAC43.0°80.1°
OARCAVCAIHAI0.4°0.1°
OARSBCOAFOAE119.4°123.0°
OARSBCOAFNAC121.7°114.1°
OARSBCOAENAC122.3°114.1°
OARSBCNACHAC191.1°5.5°
OARSBCNACHAC2148.8°174.6°
OAFSBCOAENAC119.4°123.0°
OAFSBCNACHAC1149.2°108.0°
OAFSBCNACHAC229.1°71.9°
OAESBCNACHAC130.2°119.1°
OAESBCNACHAC289.8°61.0°
SBCNACHAC1HAC2120.0°179.9°
HAXCAXCAMHAM120.7°3.6°
HAXCAXCAMHAM2139.3°125.2°
HAM1CAMCAOHAO19.0°23.2°
HAM1CAMCAOHAO2126.1°146.5°
HAM2CAMCAOHAO1109.6°98.3°
HAM2CAMCAOHAO27.6°24.9°
HAO1CAOCBAHBA35.3°42.7°
HAO2CAOCBAHBA152.4°165.9°
HBACBACAZHAZ176.7°174.2°
HAB1CABHAB2HAB3119.9°120.0°
HAQ1CAQCAPHAP154.2°56.2°
HAQ1CAQCAPHAP266.0°63.2°
HAQ2CAQCAPHAP1175.5°177.2°
HAQ2CAQCAPHAP255.3°57.8°
HAZCAZCAYHAY174.5°177.0°
HAZCAZCANHAN1175.5°169.6°
HAZCAZCANHAN264.3°69.7°
HAP1CAPCAYHAY178.2°177.6°
HAP2CAPCAYHAY61.7°58.2°
HAN1CANCALHAL147.6°49.6°
HAN1CANCALHAL2168.4°168.6°
HAN2CANCALHAL172.5°71.1°
HAN2CANCALHAL248.2°48.0°
HAK1CAKCAAHAA111.6°60.0°
HAK1CAKCAAHAA2131.6°180.0°
HAK1CAKCAAHAA3108.4°60.0°
HAK2CAKCAAHAA1107.7°60.0°
HAK2CAKCAAHAA212.3°60.0°
HAK2CAKCAAHAA3132.3°180.0°
HAA1CAAHAA2HAA3120.0°120.0°

222926

PDB entries from 2024-07-24

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