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SummaryGeometryRelated PDB entries

MRO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CAFCAHdoub1.38Å1.43ÅAromatic
CAFCAEsing1.38Å1.41ÅAromatic
CAHCAOsing1.38Å1.42ÅAromatic
CAECAGdoub1.38Å1.43ÅAromatic
CAOCAJsing1.51Å1.36Å
CAOCAIdoub1.38Å1.46ÅAromatic
CAJCAKsing1.53Å1.59Å
CAGCAIsing1.38Å1.45ÅAromatic
CAKCAPsing1.51Å1.42Å
OACCASdoub1.22Å1.22Å
CAPCASsing1.47Å1.41Å
CAPCAQdoub1.36Å1.36Å
CASNAMsing1.35Å1.43Å
CAQCANsing1.48Å1.55Å
CAQNALsing1.38Å1.44Å
CANOAAdoub1.21Å1.25Å
CANOADsing1.35Å1.24Å
NAMCARsing1.34Å1.38Å
NALCARsing1.34Å1.39Å
CAROABdoub1.22Å1.24Å
OADH1sing0.97Å0.95Å
NAMH2sing0.97Å1.00Å
CAKH4sing1.09Å1.10Å
CAKH5sing1.09Å1.10Å
CAJH6sing1.09Å1.10Å
CAJH7sing1.09Å1.10Å
CAHH8sing1.08Å1.08Å
CAFH9sing1.08Å1.08Å
CAEH10sing1.08Å1.08Å
CAGH11sing1.08Å1.08Å
CAIH12sing1.08Å1.08Å
NALH13sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
CAHCAFCAE126.7°119.9°
CAFCAHCAO111.4°120.0°
CAFCAHH8124.3°120.0°
CAHCAFH9116.7°120.0°
CAFCAECAG123.8°120.1°
CAECAFH9116.7°120.0°
CAFCAEH10118.1°120.0°
CAHCAOCAJ114.1°120.0°
CAHCAOCAI122.8°120.0°
CAOCAHH8124.3°119.9°
CAECAGCAI110.7°120.0°
CAGCAEH10118.2°120.0°
CAECAGH11124.6°120.0°
CAJCAOCAI123.1°120.0°
CAOCAJCAK113.4°109.4°
CAOCAJH6108.5°109.5°
CAOCAJH7108.5°109.5°
CAOCAICAG124.7°120.0°
CAOCAIH12117.7°120.0°
CAJCAKCAP109.3°109.5°
CAJCAKH4109.5°109.5°
CAJCAKH5109.5°109.5°
CAKCAJH6108.5°109.5°
CAKCAJH7108.5°109.4°
CAICAGH11124.6°120.0°
CAGCAIH12117.6°120.0°
CAKCAPCAS119.6°120.8°
CAKCAPCAQ120.2°120.8°
CAPCAKH4109.5°109.5°
CAPCAKH5109.5°109.4°
OACCASCAP122.3°120.6°
OACCASNAM120.8°120.5°
CASCAPCAQ120.2°118.4°
CAPCASNAM116.8°118.8°
CAPCAQCAN126.2°120.3°
CAPCAQNAL122.3°119.4°
CASNAMCAR123.6°120.4°
CASNAMH2118.2°119.8°
CANCAQNAL111.4°120.3°
CAQCANOAA117.2°120.0°
CAQCANOAD111.7°120.0°
CAQNALCAR118.5°121.2°
CAQNALH13120.7°119.4°
OAACANOAD130.6°120.0°
CANOADH1109.5°117.0°
NAMCARNAL118.3°121.8°
NAMCAROAB119.9°119.1°
CARNAMH2118.2°119.8°
NALCAROAB121.6°119.1°
CARNALH13120.7°119.4°
H4CAKH5109.5°109.5°
H6CAJH7109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
CAHCAFCAEH9180.0°180.0°
CAFCAHCAOH8180.0°180.0°
CAHCAFCAECAG0.9°0.0°
CAFCAHCAOCAJ177.6°180.0°
CAFCAHCAOCAI0.3°0.2°
CAHCAFCAEH10179.1°179.9°
CAECAFCAHCAO1.3°0.0°
CAFCAECAGH10180.0°180.0°
CAFCAECAGCAI0.7°0.2°
CAECAFCAHH8178.6°180.0°
CAFCAECAGH11179.4°180.0°
CAHCAOCAJCAI177.9°179.8°
CAHCAOCAJCAK78.6°89.7°
CAHCAOCAICAG1.3°0.4°
CAHCAOCAJH6160.8°150.2°
CAHCAOCAJH742.0°30.2°
CAOCAHCAFH9178.7°180.0°
CAHCAOCAIH12178.8°179.7°
CAECAGCAICAO1.7°0.4°
CAECAGCAIH11180.0°179.9°
CAGCAECAFH9179.1°180.0°
CAECAGCAIH12178.4°179.8°
CAOCAJCAKH6120.6°120.1°
CAOCAJCAKH7120.6°120.0°
CAJCAOCAICAG179.0°179.8°
CAOCAJCAKCAP68.1°180.0°
CAOCAJCAKH4171.9°60.0°
CAOCAJCAKH551.8°60.0°
CAOCAJH6H7118.2°120.0°
CAJCAOCAHH82.4°0.1°
CAJCAOCAIH121.1°0.1°
CAICAOCAJCAK103.5°90.1°
CAOCAICAGH12180.0°179.8°
CAICAOCAJH617.1°30.0°
CAICAOCAJH7135.9°150.0°
CAICAOCAHH8179.7°179.7°
CAOCAICAGH11178.4°179.7°
CAJCAKCAPH4120.0°120.0°
CAJCAKCAPH5120.0°120.0°
CAJCAKCAPCAS70.4°88.2°
CAJCAKCAPCAQ110.4°91.3°
CAJCAKH4H5120.1°120.0°
CAKCAJH6H7118.2°120.0°
CAICAGCAEH10179.3°179.9°
CAKCAPCASOAC0.4°0.2°
CAKCAPCASCAQ179.2°179.5°
CAKCAPCASNAM179.8°180.0°
CAKCAPCAQCAN3.0°0.3°
CAKCAPCAQNAL179.7°180.0°
CAPCAKH4H5120.1°120.0°
CAPCAKCAJH652.5°59.9°
CAPCAKCAJH7171.3°60.0°
OACCASCAPNAM179.8°179.8°
OACCASCAPCAQ178.8°179.7°
OACCASNAMCAR177.9°180.0°
OACCASNAMH22.1°0.0°
CASCAPCAQCAN177.8°179.8°
CASCAPCAQNAL1.1°0.5°
CAPCASNAMCAR2.3°0.2°
CAPCASNAMH2177.7°179.8°
CASCAPCAKH449.6°31.9°
CASCAPCAKH5169.7°151.9°
CAQCAPCASNAM1.0°0.5°
CAPCAQCANNAL177.0°179.7°
CAPCAQCANOAA60.2°6.3°
CAPCAQCANOAD126.9°173.4°
CAPCAQNALCAR2.0°0.2°
CAQCAPCAKH4129.6°148.6°
CAQCAPCAKH59.6°28.6°
CAPCAQNALH13178.0°179.7°
CASNAMCARH2180.0°180.0°
CASNAMCARNAL5.4°0.1°
CASNAMCAROAB178.7°180.0°
CAQCANOAAOAD171.3°179.7°
CANCAQNALCAR175.1°180.0°
CAQCANOADH1171.7°179.8°
CANCAQNALH134.9°0.0°
NALCAQCANOAA122.8°174.0°
NALCAQCANOAD50.1°6.3°
CAQNALCARNAM5.1°0.1°
CAQNALCARH13180.0°180.0°
CAQNALCAROAB179.1°180.0°
OAACANOADH10.0°0.0°
NAMCARNALOAB175.8°179.9°
NAMCARNALH13174.9°180.0°
NALCARNAMH2174.6°180.0°
OABCARNAMH21.3°0.0°
OABCARNALH130.9°0.0°
H4CAKCAJH667.5°179.9°
H4CAKCAJH751.3°60.0°
H5CAKCAJH6172.4°60.0°
H5CAKCAJH768.8°180.0°
H8CAHCAFH91.4°0.1°
H9CAFCAEH100.9°0.0°
H10CAECAGH110.7°0.0°
H11CAGCAIH121.6°0.1°

222415

PDB entries from 2024-07-10

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