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S5V

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAICAHsing1.53Å1.55Å
CAHCAEsing1.51Å1.45Å
CAHCAJsing1.53Å1.53Å
CADCAEdoub1.38Å1.41ÅAromatic
CADCACsing1.39Å1.37ÅAromatic
OAKCACsing1.36Å1.38Å
CAECAFsing1.38Å1.40ÅAromatic
CACCABdoub1.39Å1.41ÅAromatic
CAFCAGdoub1.38Å1.41ÅAromatic
CABCAGsing1.38Å1.40ÅAromatic
CABCAAsing1.51Å1.42Å
CAIH1sing1.09Å1.10Å
CAIH2sing1.09Å1.10Å
CAIH3sing1.09Å1.10Å
CAHH4sing1.09Å1.10Å
CAJH5sing1.09Å1.10Å
CAJH6sing1.09Å1.10Å
CAJH7sing1.09Å1.10Å
CADH8sing1.08Å1.08Å
OAKH9sing0.97Å0.95Å
CAAH10sing1.09Å1.10Å
CAAH11sing1.09Å1.10Å
CAAH12sing1.09Å1.10Å
CAGH13sing1.08Å1.08Å
CAFH14sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAICAHCAE111.4°109.5°
CAICAHCAJ107.8°109.5°
CAHCAIH1109.5°109.5°
CAHCAIH2109.5°109.4°
CAHCAIH3109.5°109.5°
CAICAHH4107.5°109.5°
CAECAHCAJ113.6°109.5°
CAHCAECAD117.2°120.0°
CAHCAECAF126.4°119.9°
CAECAHH4108.6°109.4°
CAJCAHH4107.7°109.5°
CAHCAJH5109.5°109.5°
CAHCAJH6109.5°109.5°
CAHCAJH7109.4°109.5°
CAECADCAC121.6°120.0°
CADCAECAF116.4°120.1°
CAECADH8119.2°120.0°
CADCACOAK121.1°120.1°
CADCACCAB123.2°119.9°
CACCADH8119.2°120.0°
OAKCACCAB115.7°120.1°
CACOAKH9109.5°114.0°
CAECAFCAG121.5°120.1°
CAECAFH14119.2°120.0°
CACCABCAG115.1°120.0°
CACCABCAA123.0°120.0°
CAFCAGCAB122.2°120.0°
CAFCAGH13118.9°120.0°
CAGCAFH14119.3°119.9°
CAGCABCAA121.9°120.0°
CABCAGH13118.9°120.0°
CABCAAH10109.5°109.5°
CABCAAH11109.5°109.5°
CABCAAH12109.5°109.4°
H1CAIH2109.5°109.5°
H1CAIH3109.5°109.5°
H2CAIH3109.4°109.5°
H5CAJH6109.5°109.5°
H5CAJH7109.4°109.5°
H6CAJH7109.5°109.4°
H10CAAH11109.5°109.5°
H10CAAH12109.5°109.5°
H11CAAH12109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAICAHCAECAJ122.0°120.0°
CAICAHCAEH4118.2°120.0°
CAICAHCAJH4115.7°120.0°
CAICAHCAECAD79.2°120.3°
CAICAHCAECAF99.3°60.0°
CAHCAIH1H2120.0°120.0°
CAHCAIH1H3120.0°120.0°
CAHCAIH2H3120.0°120.0°
CAICAHCAJH5180.0°60.0°
CAICAHCAJH660.0°180.0°
CAICAHCAJH760.0°60.0°
CAECAHCAJH4120.4°119.9°
CAHCAECADCAF178.7°179.7°
CAHCAECADCAC179.0°180.0°
CAHCAECAFCAG178.2°179.8°
CAECAHCAIH1180.0°60.1°
CAECAHCAIH260.0°179.9°
CAECAHCAIH360.0°60.0°
CAECAHCAJH556.1°60.1°
CAECAHCAJH664.0°60.0°
CAECAHCAJH7176.0°180.0°
CAHCAECADH81.0°0.1°
CAHCAECAFH141.8°0.0°
CAJCAHCAECAD158.8°119.7°
CAJCAHCAECAF22.6°60.0°
CAJCAHCAIH154.7°60.0°
CAJCAHCAIH265.3°60.0°
CAJCAHCAIH3174.8°180.0°
CAHCAJH5H6120.0°120.1°
CAHCAJH5H7120.0°120.0°
CAHCAJH6H7120.0°120.0°
CAECADCACH8180.0°179.9°
CAECADCACOAK178.6°180.0°
CAECADCACCAB1.1°0.1°
CADCAECAFCAG3.3°0.5°
CADCAECAHH439.0°0.3°
CADCAECAFH14176.7°179.7°
CADCACOAKCAB177.6°179.9°
CACCADCAECAF2.3°0.3°
CADCACCABCAG0.8°0.0°
CADCACCABCAA178.9°179.9°
CADCACOAKH9180.0°90.0°
OAKCACCABCAG178.3°180.0°
OAKCACCABCAA1.3°0.0°
OAKCACCADH81.4°0.1°
CAECAFCAGH14180.0°179.8°
CAECAFCAGCAB3.2°0.5°
CAFCAECAHH4142.5°180.0°
CAFCAECADH8177.7°179.8°
CAECAFCAGH13176.8°179.7°
CACCABCAGCAF1.7°0.2°
CACCABCAGCAA179.7°180.0°
CABCACCADH8178.8°179.9°
CABCACOAKH92.4°90.0°
CACCABCAAH1089.8°90.0°
CACCABCAAH11150.2°150.0°
CACCABCAAH1230.2°30.0°
CACCABCAGH13178.3°180.0°
CAFCAGCABH13180.0°179.8°
CAFCAGCABCAA177.9°179.7°
CAGCABCAAH1089.8°90.0°
CAGCABCAAH1130.2°30.1°
CAGCABCAAH12150.2°150.0°
CABCAGCAFH14176.8°179.7°
CABCAAH10H11120.0°120.0°
CABCAAH10H12120.0°120.0°
CABCAAH11H12120.0°119.9°
CAACABCAGH132.1°0.0°
H1CAIH2H3120.0°120.0°
H1CAICAHH461.1°180.0°
H2CAICAHH4178.9°60.0°
H3CAICAHH458.9°60.0°
H4CAHCAJH564.3°NaN°
H4CAHCAJH6175.7°60.0°
H4CAHCAJH755.7°60.0°
H5CAJH6H7120.0°120.0°
H10CAAH11H12120.0°120.1°
H13CAGCAFH143.2°0.0°

226262

PDB entries from 2024-10-16

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