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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAECAOdoub1.22Å1.37Å
OAFCASsing1.36Å1.34Å
CAOCASsing1.47Å1.39Å
CAOCAJsing1.41Å1.38Å
CASCATdoub1.37Å1.42Å
CAJCARdoub1.38Å1.40Å
OABCANdoub1.21Å1.25Å
CATCANsing1.47Å1.42Å
CATNALsing1.37Å1.35Å
CANOADsing1.35Å1.24Å
CARNALsing1.36Å1.36Å
CARCAQsing1.48Å1.39Å
OACCAMdoub1.21Å1.26Å
CAQCAKdoub1.39Å1.39ÅAromatic
CAQCAIsing1.40Å1.41ÅAromatic
CAKCAPsing1.39Å1.39ÅAromatic
CAICAGdoub1.38Å1.40ÅAromatic
CAMCAPsing1.48Å1.39Å
CAMOAAsing1.35Å1.25Å
CAPCAHdoub1.40Å1.41ÅAromatic
CAGCAHsing1.38Å1.40ÅAromatic
OAAH1sing0.97Å0.95Å
CAKH2sing1.08Å1.08Å
CAHH3sing1.08Å1.08Å
CAGH4sing1.08Å1.08Å
CAIH5sing1.08Å1.08Å
CAJH6sing1.08Å1.08Å
OADH7sing0.97Å0.95Å
OAFH8sing0.97Å0.95Å
NALH10sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAECAOCAS120.6°120.8°
OAECAOCAJ121.0°120.9°
OAFCASCAO116.9°120.6°
OAFCASCAT121.0°120.6°
CASOAFH8109.5°114.0°
CASCAOCAJ118.4°118.3°
CAOCASCAT122.2°118.8°
CAOCAJCAR119.4°119.4°
CAOCAJH6120.3°120.3°
CASCATCAN126.7°119.8°
CASCATNAL116.7°120.5°
CAJCARNAL120.4°121.3°
CAJCARCAQ117.2°119.4°
CARCAJH6120.3°120.3°
OABCANCAT123.6°120.0°
OABCANOAD116.5°120.0°
CANCATNAL116.6°119.7°
CATCANOAD120.0°119.9°
CATNALCAR123.0°121.7°
CATNALH10118.5°119.1°
CANOADH7109.5°117.0°
NALCARCAQ122.2°119.3°
CARNALH10118.5°119.2°
CARCAQCAK121.5°120.1°
CARCAQCAI118.8°120.1°
OACCAMCAP119.4°120.0°
OACCAMOAA120.7°120.0°
CAKCAQCAI119.2°119.8°
CAQCAKCAP120.0°119.7°
CAQCAKH2120.0°120.1°
CAQCAICAG121.0°120.2°
CAQCAIH5119.5°120.0°
CAKCAPCAM117.5°120.1°
CAKCAPCAH120.8°119.8°
CAPCAKH2120.0°120.2°
CAICAGCAH119.2°120.2°
CAICAGH4120.4°119.9°
CAGCAIH5119.5°119.9°
CAPCAMOAA119.9°120.0°
CAMCAPCAH121.7°120.1°
CAMOAAH1109.5°117.0°
CAPCAHCAG119.6°120.2°
CAPCAHH3120.2°119.9°
CAGCAHH3120.2°119.9°
CAHCAGH4120.4°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAECAOCASOAF0.2°0.5°
OAECAOCASCAJ179.3°179.2°
OAECAOCASCAT179.3°180.0°
OAECAOCAJCAR179.1°179.7°
OAECAOCAJH60.9°0.3°
OAFCASCAOCAT179.1°179.5°
OAFCASCAOCAJ179.6°179.7°
OAFCASCATCAN0.7°0.0°
OAFCASCATNAL179.9°180.0°
CASCAOCAJCAR1.5°0.6°
CAOCASCATCAN178.4°179.5°
CAOCASCATNAL1.1°0.5°
CASCAOCAJH6178.5°179.5°
CAOCASOAFH80.1°0.5°
CAJCAOCASCAT1.4°0.8°
CAOCAJCARH6180.0°179.9°
CAOCAJCARNAL1.4°0.1°
CAOCAJCARCAQ175.6°179.7°
CASCATCANOAB17.8°180.0°
CASCATCANNAL179.4°180.0°
CASCATCANOAD160.7°0.0°
CASCATNALCAR0.9°0.0°
CATCASOAFH8179.2°180.0°
CASCATNALH10179.1°180.0°
CAJCARNALCAT1.2°0.2°
CAJCARNALCAQ173.9°179.8°
CAJCARCAQCAK34.0°0.3°
CAJCARCAQCAI137.8°179.8°
CAJCARNALH10178.8°179.7°
OABCANCATOAD178.4°180.0°
OABCANCATNAL162.8°0.0°
OABCANOADH70.0°0.1°
CANCATNALCAR178.5°180.0°
CATCANOADH7178.5°180.0°
CANCATNALH101.5°0.0°
NALCATCANOAD18.7°180.0°
CATNALCARH10180.0°179.9°
CATNALCARCAQ175.0°180.0°
NALCARCAQCAK151.9°180.0°
NALCARCAQCAI36.2°0.0°
NALCARCAJH6178.5°180.0°
CARCAQCAKCAI171.8°179.9°
CARCAQCAKCAP176.2°180.0°
CARCAQCAICAG176.5°179.8°
CARCAQCAKH23.8°0.0°
CARCAQCAIH53.5°0.1°
CAQCARCAJH64.4°0.2°
CAQCARNALH105.0°0.0°
OACCAMCAPCAK55.3°0.2°
OACCAMCAPOAA179.9°179.9°
OACCAMCAPCAH124.0°180.0°
OACCAMOAAH10.0°0.1°
CAQCAKCAPH2180.0°180.0°
CAKCAQCAICAG4.5°0.3°
CAQCAKCAPCAM178.6°180.0°
CAQCAKCAPCAH2.1°0.2°
CAKCAQCAIH5175.5°180.0°
CAICAQCAKCAP4.4°0.0°
CAQCAICAGH5180.0°179.7°
CAQCAICAGCAH2.2°0.3°
CAICAQCAKH2175.6°179.9°
CAQCAICAGH4177.8°179.7°
CAKCAPCAMCAH179.3°179.8°
CAKCAPCAMOAA124.6°179.7°
CAKCAPCAHCAG0.2°0.2°
CAKCAPCAHH3179.8°179.7°
CAICAGCAHCAP0.2°0.1°
CAICAGCAHH4180.0°180.0°
CAICAGCAHH3179.8°180.0°
CAMCAPCAHCAG179.0°180.0°
CAPCAMOAAH1179.9°180.0°
CAMCAPCAKH21.4°0.0°
CAMCAPCAHH31.0°0.1°
OAACAMCAPCAH56.2°0.1°
CAPCAHCAGH3180.0°179.9°
CAHCAPCAKH2177.9°179.8°
CAPCAHCAGH4179.8°180.0°
CAHCAGCAIH5177.8°180.0°
H3CAHCAGH40.2°0.0°
H4CAGCAIH52.2°0.0°

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PDB entries from 2024-07-17

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