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W42

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1DC2Dsing1.43Å1.47Å
O1DHOD1sing0.97Å0.95Å
C2DC3Dsing1.53Å1.54Å
C2DH2D1sing1.09Å1.11Å
C2DH2D2sing1.09Å1.12Å
C3DO4Dsing1.43Å1.44Å
C3DH3D1sing1.09Å1.12Å
C3DH3D2sing1.09Å1.12Å
O4DC5Dsing1.43Å1.42Å
C5DO6Dsing1.43Å1.43Å
C5DH5D1sing1.09Å1.12Å
C5DH5D2sing1.09Å1.12Å
O6DC31sing1.43Å1.42Å
O1N2sing1.21Å1.42ÅAromatic
O1C5sing1.34Å1.35ÅAromatic
N2C3doub1.30Å1.29ÅAromatic
C3C31sing1.51Å1.48Å
C3C4sing1.41Å1.40ÅAromatic
C31H311sing1.09Å1.12Å
C31H312sing1.09Å1.11Å
C4C5doub1.36Å1.34ÅAromatic
C4H4sing1.08Å1.10Å
C5C1Csing1.51Å1.49Å
C1CC2Csing1.53Å1.54Å
C1CH1C1sing1.09Å1.12Å
C1CH1C2sing1.09Å1.11Å
C2CC3Csing1.53Å1.53Å
C2CH2C1sing1.09Å1.12Å
C2CH2C2sing1.09Å1.12Å
C3CC4Csing1.53Å1.50Å
C3CH3C1sing1.09Å1.11Å
C3CH3C2sing1.09Å1.12Å
C4CC5Csing1.53Å1.52Å
C4CH4C1sing1.09Å1.11Å
C4CH4C2sing1.09Å1.11Å
C5CO1Bsing1.43Å1.39Å
C5CH5C1sing1.09Å1.12Å
C5CH5C2sing1.09Å1.12Å
O1BC1Bsing1.36Å1.35Å
C1BC2Bdoub1.39Å1.37ÅAromatic
C1BC6Bsing1.39Å1.39ÅAromatic
C2BC3Bsing1.38Å1.38ÅAromatic
C2BCL2sing1.74Å1.71Å
C3BC4Bdoub1.40Å1.40ÅAromatic
C3BH3Bsing1.08Å1.10Å
C4BC5Bsing1.39Å1.40ÅAromatic
C4BC2Asing1.48Å1.46Å
C5BC6Bdoub1.38Å1.37ÅAromatic
C5BH5Bsing1.08Å1.10Å
C6BCL1sing1.74Å1.71Å
C2AN3Adoub1.30Å1.43Å
C2AO1Asing1.35Å1.32Å
N3AC4Asing1.48Å1.36Å
C4AC5Asing1.55Å1.51Å
C4AH4A1sing1.09Å1.11Å
C4AH4A2sing1.09Å1.12Å
C5AO1Asing1.44Å1.38Å
C5AH5A1sing1.09Å1.11Å
C5AH5A2sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2DO1DHOD1117.3°106.8°
O1DC2DC3D117.2°109.4°
O1DC2DH2D1109.4°109.5°
O1DC2DH2D2109.4°109.4°
C3DC2DH2D1109.3°109.5°
C3DC2DH2D2109.4°109.5°
C2DC3DO4D117.6°109.5°
C2DC3DH3D1109.3°109.4°
C2DC3DH3D2109.3°109.5°
H2D1C2DH2D2100.8°109.4°
O4DC3DH3D1109.2°109.4°
O4DC3DH3D2109.2°109.5°
C3DO4DC5D119.6°106.8°
H3D1C3DH3D2100.8°109.5°
O4DC5DO6D121.3°109.5°
O4DC5DH5D1108.0°109.5°
O4DC5DH5D2108.1°109.4°
O6DC5DH5D1108.0°109.5°
O6DC5DH5D2108.0°109.5°
C5DO6DC31119.9°106.8°
H5D1C5DH5D2101.8°109.5°
O6DC31C3118.5°109.5°
O6DC31H311108.9°109.5°
O6DC31H312108.9°109.4°
N2O1C5107.7°111.6°
O1N2C3105.8°111.6°
O1C5C4109.0°106.4°
O1C5C1C114.6°126.8°
N2C3C31119.4°126.8°
N2C3C4111.6°106.4°
C31C3C4129.0°126.8°
C3C31H311108.9°109.5°
C3C31H312109.0°109.5°
C3C4C5105.8°104.0°
C3C4H4128.7°128.0°
H311C31H312101.2°109.4°
C5C4H4125.5°128.0°
C4C5C1C136.4°126.8°
C5C1CC2C109.5°109.5°
C5C1CH1C1112.2°109.5°
C5C1CH1C2112.2°109.5°
C2CC1CH1C1112.1°109.5°
C2CC1CH1C2112.2°109.5°
C1CC2CC3C112.3°109.5°
C1CC2CH2C1111.2°109.4°
C1CC2CH2C2111.2°109.5°
H1C1C1CH1C298.3°109.4°
C3CC2CH2C1111.2°109.5°
C3CC2CH2C2111.2°109.5°
C2CC3CC4C111.8°109.4°
C2CC3CH3C1111.4°109.4°
C2CC3CH3C2111.3°109.5°
H2C1C2CH2C299.1°109.6°
C4CC3CH3C1111.4°109.5°
C4CC3CH3C2111.4°109.5°
C3CC4CC5C113.4°109.4°
C3CC4CH4C1110.8°109.4°
C3CC4CH4C2110.8°109.5°
H3C1C3CH3C299.0°109.5°
C5CC4CH4C1110.7°109.4°
C5CC4CH4C2110.8°109.5°
C4CC5CO1B104.8°109.5°
C4CC5CH5C1113.9°109.4°
C4CC5CH5C2114.0°109.5°
H4C1C4CH4C299.6°109.5°
O1BC5CH5C1114.0°109.4°
O1BC5CH5C2114.0°109.5°
C5CO1BC1B126.7°106.8°
H5C1C5CH5C296.5°109.5°
O1BC1BC2B119.7°119.9°
O1BC1BC6B119.8°120.0°
C2BC1BC6B120.5°120.1°
C1BC2BC3B119.6°120.1°
C1BC2BCL2121.4°119.9°
C1BC6BC5B120.5°120.1°
C1BC6BCL1119.2°119.9°
C3BC2BCL2119.0°120.0°
C2BC3BC4B120.6°119.9°
C2BC3BH3B119.0°120.0°
C4BC3BH3B120.4°120.1°
C3BC4BC5B119.3°119.9°
C3BC4BC2A120.8°120.0°
C5BC4BC2A119.8°120.1°
C4BC5BC6B119.5°119.9°
C4BC5BH5B121.2°120.0°
C4BC2AN3A126.3°123.1°
C4BC2AO1A123.6°123.1°
C6BC5BH5B119.3°120.0°
C5BC6BCL1120.3°120.0°
N3AC2AO1A109.8°113.8°
C2AN3AC4A112.9°108.4°
C2AO1AC5A106.1°107.6°
N3AC4AC5A98.9°102.0°
N3AC4AH4A1116.3°110.9°
N3AC4AH4A2116.3°110.9°
C5AC4AH4A1116.3°110.9°
C5AC4AH4A2116.3°110.9°
C4AC5AO1A112.2°101.3°
C4AC5AH5A1111.2°111.0°
C4AC5AH5A2111.2°111.0°
H4A1C4AH4A294.1°110.8°
O1AC5AH5A1111.2°111.3°
O1AC5AH5A2111.2°110.9°
H5A1C5AH5A299.2°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1DC2DC3DH2D1125.2°120.1°
O1DC2DC3DH2D2125.2°120.0°
O1DC2DH2D1H2D2115.2°120.0°
O1DC2DC3DO4D20.3°60.1°
O1DC2DC3DH3D1105.0°180.0°
O1DC2DC3DH3D2145.5°60.0°
HOD1O1DC2DC3D180.0°180.0°
HOD1O1DC2DH2D154.8°59.9°
HOD1O1DC2DH2D254.8°60.0°
C3DC2DH2D1H2D2115.1°120.0°
C2DC3DO4DH3D1125.3°119.9°
C2DC3DO4DH3D2125.3°120.0°
C2DC3DH3D1H3D2115.1°120.0°
C2DC3DO4DC5D138.4°180.0°
H2D1C2DC3DO4D145.5°60.0°
H2D1C2DC3DH3D120.3°59.9°
H2D1C2DC3DH3D289.2°180.0°
H2D2C2DC3DO4D105.0°180.0°
H2D2C2DC3DH3D1129.8°60.0°
H2D2C2DC3DH3D220.3°60.0°
O4DC3DH3D1H3D2114.9°120.1°
C3DO4DC5DO6D98.0°90.0°
C3DO4DC5DH5D1136.8°150.0°
C3DO4DC5DH5D227.3°30.0°
H3D1C3DO4DC5D96.3°60.1°
H3D2C3DO4DC5D13.1°60.0°
O4DC5DO6DH5D1125.3°120.0°
O4DC5DO6DH5D2125.3°119.9°
O4DC5DH5D1H5D2113.7°120.0°
O4DC5DO6DC3141.2°90.0°
O6DC5DH5D1H5D2113.5°120.0°
C5DO6DC31C3161.8°180.0°
C5DO6DC31H31136.6°60.0°
C5DO6DC31H31272.9°59.9°
H5D1C5DO6DC31166.5°30.0°
H5D2C5DO6DC3184.1°150.0°
O6DC31C3N275.1°179.7°
O6DC31C3H311125.2°120.0°
O6DC31C3H312125.2°120.0°
O6DC31C3C4105.1°0.0°
O6DC31H311H312114.7°119.9°
O1N2C3C31179.6°179.8°
O1N2C3C40.2°0.4°
N2O1C5C40.2°0.2°
N2O1C5C1C179.2°179.7°
C5O1N2C30.3°0.4°
O1C5C4C30.1°0.0°
O1C5C4C1C179.3°179.9°
O1C5C4H4179.9°179.9°
O1C5C1CC2C34.0°89.9°
O1C5C1CH1C1159.2°30.1°
O1C5C1CH1C291.2°150.0°
N2C3C31C4179.8°179.7°
N2C3C31H311159.7°59.7°
N2C3C31H31250.1°60.3°
N2C3C4C50.1°0.3°
N2C3C4H4179.9°179.8°
C3C31H311H312114.7°120.1°
C31C3C4C5179.7°180.0°
C31C3C4H40.3°0.1°
C4C3C31H31120.1°120.0°
C4C3C31H312129.7°120.0°
C3C4C5H4179.9°179.9°
C3C4C5C1C179.2°180.0°
C4C5C1CC2C145.2°90.0°
C4C5C1CH1C120.0°150.0°
C4C5C1CH1C289.5°30.1°
H4C4C5C1C0.8°0.1°
C5C1CC2CH1C1125.3°120.0°
C5C1CC2CH1C2125.2°120.0°
C5C1CH1C1H1C2118.1°120.0°
C5C1CC2CC3C159.8°180.0°
C5C1CC2CH2C134.5°60.0°
C5C1CC2CH2C274.9°60.0°
C2CC1CH1C1H1C2118.1°120.0°
C1CC2CC3CH2C1125.3°119.9°
C1CC2CC3CH2C2125.3°120.0°
C1CC2CH2C1H2C2117.1°120.0°
C1CC2CC3CC4C60.3°180.0°
C1CC2CC3CH3C165.0°60.1°
C1CC2CC3CH3C2174.5°60.0°
H1C1C1CC2CC3C74.9°60.0°
H1C1C1CC2CH2C1159.7°180.0°
H1C1C1CC2CH2C250.3°60.0°
H1C2C1CC2CC3C34.6°59.9°
H1C2C1CC2CH2C190.8°60.0°
H1C2C1CC2CH2C2159.8°180.0°
C3CC2CH2C1H2C2117.0°120.1°
C2CC3CC4CH3C1125.3°119.9°
C2CC3CC4CH3C2125.2°120.0°
C2CC3CH3C1H3C2117.2°120.0°
C2CC3CC4CC5C132.7°180.0°
C2CC3CC4CH4C17.5°60.1°
C2CC3CC4CH4C2102.0°60.0°
H2C1C2CC3CC4C174.4°60.1°
H2C1C2CC3CH3C160.3°179.9°
H2C1C2CC3CH3C249.1°59.9°
H2C2C2CC3CC4C65.0°60.0°
H2C2C2CC3CH3C1169.7°59.9°
H2C2C2CC3CH3C260.2°180.0°
C4CC3CH3C1H3C2117.3°120.0°
C3CC4CC5CH4C1125.3°119.9°
C3CC4CC5CH4C2125.3°120.0°
C3CC4CH4C1H4C2116.6°120.0°
C3CC4CC5CO1B71.5°180.0°
C3CC4CC5CH5C153.7°60.1°
C3CC4CC5CH5C2163.2°59.9°
H3C1C3CC4CC5C101.9°60.1°
H3C1C3CC4CH4C1132.8°180.0°
H3C1C3CC4CH4C223.3°60.0°
H3C2C3CC4CC5C7.5°60.0°
H3C2C3CC4CH4C1117.7°60.0°
H3C2C3CC4CH4C2132.8°180.0°
C5CC4CH4C1H4C2116.6°120.0°
C4CC5CO1BH5C1125.3°119.9°
C4CC5CO1BH5C2125.3°120.1°
C4CC5CH5C1H5C2119.8°120.1°
C4CC5CO1BC1B122.0°180.0°
H4C1C4CC5CO1B163.2°60.1°
H4C1C4CC5CH5C171.5°179.9°
H4C1C4CC5CH5C237.9°60.0°
H4C2C4CC5CO1B53.7°59.9°
H4C2C4CC5CH5C1179.0°59.9°
H4C2C4CC5CH5C271.6°180.0°
O1BC5CH5C1H5C2119.9°120.0°
C5CO1BC1BC2B104.7°89.9°
C5CO1BC1BC6B76.8°90.3°
H5C1C5CO1BC1B112.7°60.1°
H5C2C5CO1BC1B3.2°60.0°
O1BC1BC2BC6B178.4°179.7°
O1BC1BC2BC3B178.0°179.9°
O1BC1BC2BCL22.0°0.0°
O1BC1BC6BC5B178.0°179.8°
O1BC1BC6BCL12.3°0.3°
C1BC2BC3BCL2180.0°179.9°
C1BC2BC3BC4B0.7°0.1°
C1BC2BC3BH3B179.4°180.0°
C2BC1BC6BC5B0.4°0.5°
C2BC1BC6BCL1179.3°180.0°
C6BC1BC2BC3B0.4°0.2°
C6BC1BC2BCL2179.5°179.7°
C1BC6BC5BC4B0.6°0.5°
C1BC6BC5BCL1179.7°179.5°
C1BC6BC5BH5B179.5°179.7°
C2BC3BC4BH3B180.0°180.0°
C2BC3BC4BC5B0.8°0.0°
C2BC3BC4BC2A177.5°180.0°
CL2C2BC3BC4B179.3°180.0°
CL2C2BC3BH3B0.6°0.0°
C3BC4BC5BC2A176.7°180.0°
C3BC4BC5BC6B0.8°0.2°
C3BC4BC5BH5B179.2°180.0°
C3BC4BC2AN3A176.4°180.0°
C3BC4BC2AO1A3.0°0.3°
H3BC3BC4BC5B179.2°180.0°
H3BC3BC4BC2A2.6°0.0°
C4BC5BC6BH5B180.0°179.8°
C4BC5BC6BCL1179.1°180.0°
C5BC4BC2AN3A0.3°0.0°
C5BC4BC2AO1A173.7°179.7°
C2AC4BC5BC6B177.5°179.8°
C2AC4BC5BH5B2.6°0.0°
C4BC2AN3AO1A174.2°179.7°
C4BC2AN3AC4A177.7°179.6°
C4BC2AO1AC5A177.5°162.6°
H5BC5BC6BCL10.8°0.2°
C2AN3AC4AC5A2.0°15.1°
C2AN3AC4AH4A1127.3°133.3°
C2AN3AC4AH4A2123.3°103.1°
N3AC2AO1AC5A3.2°17.7°
O1AC2AN3AC4A3.5°0.6°
C2AO1AC5AC4A2.0°25.2°
C2AO1AC5AH5A1127.3°92.9°
C2AO1AC5AH5A2123.3°143.2°
N3AC4AC5AH4A1125.3°118.1°
N3AC4AC5AH4A2125.2°118.2°
N3AC4AH4A1H4A2122.0°123.7°
N3AC4AC5AO1A0.1°23.7°
N3AC4AC5AH5A1125.2°94.5°
N3AC4AC5AH5A2125.3°141.6°
C5AC4AH4A1H4A2122.1°123.7°
C4AC5AO1AH5A1125.3°118.1°
C4AC5AO1AH5A2125.3°117.9°
C4AC5AH5A1H5A2117.1°124.0°
H4A1C4AC5AO1A125.3°141.9°
H4A1C4AC5AH5A10.1°23.6°
H4A1C4AC5AH5A2109.5°100.3°
H4A2C4AC5AO1A125.1°94.5°
H4A2C4AC5AH5A1109.6°147.3°
H4A2C4AC5AH5A20.1°23.4°
O1AC5AH5A1H5A2117.0°124.0°

221051

PDB entries from 2024-06-12

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