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WI2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CALCAJsing1.53Å1.53Å
CALNAXsing1.47Å1.50Å
CAJCAWsing1.53Å1.51Å
CAWCAQsing1.51Å1.51Å
CAWCAKsing1.53Å1.53Å
CAQOADdoub1.21Å1.23Å
CAQOACsing1.34Å1.35Å
CAKCAMsing1.53Å1.54Å
CAMNAXsing1.47Å1.50Å
NAXCAVsing1.39Å1.42Å
CAVNAOdoub1.32Å1.36ÅAromatic
CAVCARsing1.40Å1.43ÅAromatic
NAOCAUsing1.33Å1.36ÅAromatic
CARNABsing1.39Å1.38Å
CARNANdoub1.32Å1.37ÅAromatic
NANCAHsing1.32Å1.34ÅAromatic
CAHCAUdoub1.39Å1.41ÅAromatic
CAUCATsing1.48Å1.49ÅAromatic
CATCAIsing1.39Å1.39ÅAromatic
CATCAGdoub1.39Å1.41ÅAromatic
CAICASdoub1.38Å1.41ÅAromatic
CAGCAEsing1.38Å1.40ÅAromatic
CAECAFdoub1.38Å1.40ÅAromatic
CAFCASsing1.39Å1.40ÅAromatic
CASOAPsing1.36Å1.37Å
OAPCAAsing1.43Å1.42Å
CALHAL1sing1.09Å1.10Å
CALHAL2sing1.09Å1.10Å
CAJHAJ1sing1.09Å1.10Å
CAJHAJ2sing1.09Å1.10Å
CAWHAWsing1.09Å1.10Å
CAKHAK1sing1.09Å1.10Å
CAKHAK2sing1.09Å1.10Å
OACHACsing0.97Å0.95Å
CAMHAM1sing1.09Å1.10Å
CAMHAM2sing1.09Å1.10Å
NABHAB1sing0.97Å1.00Å
NABHAB2sing0.97Å1.00Å
CAHHAHsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAJCALNAX113.3°109.5°
CALCAJCAW110.8°109.3°
CAJCALHAL1108.2°109.5°
CAJCALHAL2107.4°109.4°
CALCAJHAJ1109.0°109.5°
CALCAJHAJ2108.8°109.5°
CALNAXCAM112.5°111.2°
CALNAXCAV119.6°111.0°
NAXCALHAL1108.2°109.5°
NAXCALHAL2107.3°109.5°
CAJCAWCAQ109.3°109.5°
CAJCAWCAK106.6°109.2°
CAWCAJHAJ1109.0°109.5°
CAWCAJHAJ2108.7°109.5°
CAJCAWHAW112.8°109.5°
CAQCAWCAK113.3°109.5°
CAWCAQOAD127.6°120.0°
CAWCAQOAC112.1°120.0°
CAQCAWHAW106.1°109.5°
CAWCAKCAM115.2°109.3°
CAKCAWHAW108.8°109.6°
CAWCAKHAK1107.6°109.5°
CAWCAKHAK2106.3°109.5°
OADCAQOAC119.2°119.9°
CAQOACHAC109.5°117.0°
CAKCAMNAX109.2°109.5°
CAMCAKHAK1107.6°109.5°
CAMCAKHAK2106.3°109.5°
CAKCAMHAM1109.5°109.5°
CAKCAMHAM2109.6°109.5°
CAMNAXCAV119.1°111.0°
NAXCAMHAM1109.5°109.5°
NAXCAMHAM2109.6°109.4°
NAXCAVNAO118.3°120.1°
NAXCAVCAR121.2°120.0°
NAOCAVCAR120.2°119.8°
CAVNAOCAU119.9°120.0°
CAVCARNAB125.8°120.0°
CAVCARNAN119.1°119.9°
NAOCAUCAH119.6°120.0°
NAOCAUCAT122.1°120.0°
NABCARNAN115.1°120.0°
CARNABHAB1109.5°120.0°
CARNABHAB2109.5°120.0°
CARNANCAH119.5°120.1°
NANCAHCAU121.7°120.2°
NANCAHHAH119.1°120.0°
CAHCAUCAT118.2°120.0°
CAUCAHHAH119.2°119.9°
CAUCATCAI125.2°120.1°
CAUCATCAG116.3°120.1°
CAICATCAG118.4°119.8°
CATCAICAS119.9°119.8°
CATCAIHAI120.1°120.1°
CATCAGCAE121.6°120.0°
CATCAGHAG119.2°120.0°
CAICASCAF122.0°120.0°
CAICASOAP115.6°120.0°
CASCAIHAI120.1°120.1°
CAGCAECAF120.1°120.2°
CAECAGHAG119.2°120.0°
CAGCAEHAE119.9°119.9°
CAECAFCAS118.0°120.2°
CAFCAEHAE120.0°119.9°
CAECAFHAF121.0°119.9°
CAFCASOAP122.3°120.0°
CASCAFHAF121.0°119.9°
CASOAPCAA118.1°117.0°
OAPCAAHAA1109.5°109.4°
OAPCAAHAA2109.5°109.5°
OAPCAAHAA3109.4°109.5°
HAL1CALHAL2112.5°109.4°
HAJ1CAJHAJ2110.5°109.5°
HAK1CAKHAK2114.1°109.5°
HAM1CAMHAM2109.3°109.4°
HAB1NABHAB2109.5°119.9°
HAA1CAAHAA2109.4°109.5°
HAA1CAAHAA3109.5°109.5°
HAA2CAAHAA3109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAJCALNAXHAL1120.0°120.1°
CAJCALNAXHAL2118.4°120.0°
CALCAJCAWHAJ1120.0°120.0°
CALCAJCAWHAJ2119.5°119.9°
CALCAJCAWCAQ179.5°177.5°
CALCAJCAWCAK56.7°57.6°
CAJCALNAXCAM53.8°61.7°
CAJCALNAXCAV158.9°174.2°
CAJCALHAL1HAL2118.5°119.9°
CALCAJHAJ1HAJ2119.5°120.1°
CALCAJCAWHAW62.7°62.4°
NAXCALCAJCAW57.5°59.1°
CALNAXCAMCAK50.4°61.8°
CALNAXCAMCAV147.5°124.1°
CALNAXCAVNAO105.4°62.0°
CALNAXCAVCAR68.0°118.2°
NAXCALHAL1HAL2118.4°120.0°
NAXCALCAJHAJ1177.5°179.1°
NAXCALCAJHAJ261.9°60.8°
CALNAXCAMHAM169.6°58.3°
CALNAXCAMHAM2170.4°178.2°
CAJCAWCAQCAK118.8°119.7°
CAJCAWCAQHAW121.9°120.1°
CAJCAWCAKHAW122.0°119.9°
CAJCAWCAQOAD3.9°0.0°
CAJCAWCAQOAC171.8°180.0°
CAJCAWCAKCAM58.1°57.6°
CAWCAJCALHAL1177.5°179.2°
CAWCAJCALHAL260.8°60.9°
CAWCAJHAJ1HAJ2119.4°120.1°
CAJCAWCAKHAK1178.0°177.6°
CAJCAWCAKHAK259.4°62.3°
CAQCAWCAKHAW117.7°120.1°
CAWCAQOADOAC167.1°180.0°
CAQCAWCAKCAM178.4°177.6°
CAQCAWCAJHAJ160.5°62.5°
CAQCAWCAJHAJ260.1°57.7°
CAQCAWCAKHAK161.6°62.5°
CAQCAWCAKHAK261.0°57.6°
CAWCAQOACHAC169.0°180.0°
CAKCAWCAQOAD114.9°119.7°
CAKCAWCAQOAC53.0°60.3°
CAWCAKCAMHAK1120.0°119.9°
CAWCAKCAMHAK2117.4°119.9°
CAWCAKCAMNAX55.0°59.2°
CAKCAWCAJHAJ1176.7°177.6°
CAKCAWCAJHAJ262.8°62.3°
CAWCAKHAK1HAK2117.7°120.1°
CAWCAKCAMHAM165.0°60.9°
CAWCAKCAMHAM2175.1°179.2°
OADCAQCAWHAW125.9°120.1°
OADCAQOACHAC0.0°0.1°
OACCAQCAWHAW66.3°59.9°
CAKCAMNAXHAM1120.0°120.0°
CAKCAMNAXHAM2120.1°120.0°
CAKCAMNAXCAV162.2°174.2°
CAMCAKCAWHAW63.9°62.3°
CAMCAKHAK1HAK2117.6°120.1°
CAKCAMHAM1HAM2120.1°120.0°
CAMNAXCAVNAO39.7°62.2°
CAMNAXCAVCAR146.9°117.6°
CAMNAXCALHAL1173.8°178.2°
CAMNAXCALHAL264.5°58.3°
NAXCAMCAKHAK1175.0°179.1°
NAXCAMCAKHAK262.4°60.8°
NAXCAMHAM1HAM2120.1°119.9°
NAXCAVNAOCAR173.5°179.8°
NAXCAVNAOCAU174.7°180.0°
NAXCAVCARNAB7.0°0.0°
NAXCAVCARNAN174.6°180.0°
CAVNAXCALHAL138.9°54.1°
CAVNAXCALHAL282.8°65.8°
CAVNAXCAMHAM177.8°65.8°
CAVNAXCAMHAM242.1°54.1°
NAOCAVCARNAB179.7°179.8°
NAOCAVCARNAN1.3°0.2°
CAVNAOCAUCAH0.5°0.1°
CAVNAOCAUCAT177.8°180.0°
CARCAVNAOCAU1.2°0.3°
CAVCARNABNAN178.5°180.0°
CAVCARNANCAH0.6°0.1°
CAVCARNABHAB17.4°5.4°
CAVCARNABHAB2112.7°174.5°
NAOCAUCAHNAN0.2°0.2°
NAOCAUCAHCAT178.4°179.9°
NAOCAUCATCAI159.0°175.0°
NAOCAUCATCAG20.1°4.7°
NAOCAUCAHHAH179.8°179.9°
NABCARNANCAH179.2°180.0°
CARNABHAB1HAB2120.0°180.0°
CARNANCAHCAU0.1°0.3°
NANCARNABHAB1171.1°174.6°
NANCARNABHAB268.8°5.4°
CARNANCAHHAH179.9°180.0°
NANCAHCAUHAH180.0°179.7°
NANCAHCAUCAT178.6°179.7°
CAHCAUCATCAI19.4°5.0°
CAHCAUCATCAG161.6°175.2°
CAUCATCAICAG179.0°179.7°
CAUCATCAICAS179.8°179.9°
CAUCATCAGCAE179.9°180.0°
CATCAUCAHHAH1.4°0.0°
CAUCATCAIHAI0.2°0.1°
CAUCATCAGHAG0.1°0.0°
CATCAICASHAI180.0°180.0°
CAICATCAGCAE1.0°0.2°
CATCAICASCAF0.1°0.1°
CATCAICASOAP177.6°179.9°
CAICATCAGHAG179.0°179.8°
CAGCATCAICAS0.8°0.2°
CATCAGCAEHAG180.0°180.0°
CATCAGCAECAF0.5°0.0°
CAGCATCAIHAI179.2°179.8°
CATCAGCAEHAE179.5°180.0°
CAICASCAFCAE0.4°0.3°
CAICASCAFOAP177.6°179.9°
CAICASOAPCAA157.5°180.0°
CAICASCAFHAF179.6°180.0°
CAGCAECAFHAE180.0°180.0°
CAGCAECAFCAS0.2°0.3°
CAGCAECAFHAF179.8°180.0°
CAECAFCASHAF180.0°179.7°
CAECAFCASOAP177.9°179.8°
CAFCAECAGHAG179.5°180.0°
CAFCASOAPCAA24.8°0.1°
CAFCASCAIHAI179.9°179.9°
CASCAFCAEHAE179.8°179.7°
OAPCASCAIHAI2.4°0.1°
OAPCASCAFHAF2.0°0.1°
CASOAPCAAHAA1127.3°60.0°
CASOAPCAAHAA27.3°179.9°
CASOAPCAAHAA3112.7°60.0°
OAPCAAHAA1HAA2120.0°120.0°
OAPCAAHAA1HAA3120.0°120.0°
OAPCAAHAA2HAA3120.0°120.0°
HAL1CALCAJHAJ162.5°60.8°
HAL1CALCAJHAJ258.1°59.3°
HAL2CALCAJHAJ159.2°59.1°
HAL2CALCAJHAJ2179.7°179.2°
HAJ1CAJCAWHAW57.3°57.6°
HAJ2CAJCAWHAW177.9°177.7°
HAWCAWCAKHAK156.1°57.7°
HAWCAWCAKHAK2178.7°177.7°
HAK1CAKCAMHAM155.0°59.1°
HAK1CAKCAMHAM264.9°60.9°
HAK2CAKCAMHAM1177.6°179.2°
HAK2CAKCAMHAM257.7°59.2°
HAGCAGCAEHAE0.5°0.0°
HAECAECAFHAF0.2°0.0°
HAA1CAAHAA2HAA3120.0°120.0°

221371

PDB entries from 2024-06-19

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