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4YA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C5sing1.53Å1.53Å
O4C4sing1.43Å1.45Å
C5O5sing1.43Å1.45Å
C5C4sing1.53Å1.55Å
O5C1sing1.43Å1.47Å
C4C3sing1.53Å1.53Å
O4AC4Asing1.43Å1.44Å
O1C1Bsing1.43Å1.44Å
O1C1Asing1.43Å1.42Å
C1C2sing1.53Å1.54Å
C1O2Asing1.43Å1.44Å
O5AC1Asing1.43Å1.42Å
O5AC5Asing1.43Å1.41Å
C2AC1Asing1.53Å1.50Å
C2AO2Asing1.43Å1.47Å
C2AC3Asing1.53Å1.54Å
C1BC2Bsing1.53Å1.53Å
O3AC3Asing1.43Å1.43Å
C6AC5Asing1.53Å1.54Å
C6AO6sing1.43Å1.43Å
C4AC3Asing1.53Å1.52Å
C4AC5Asing1.53Å1.54Å
C3C2sing1.53Å1.54Å
C3O3sing1.43Å1.45Å
C2O2sing1.43Å1.43Å
C2BC3Bsing1.53Å1.53Å
C3BC4Bsing1.53Å1.55Å
C4BC5Bsing1.53Å1.53Å
C5BC6Bsing1.53Å1.54Å
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
O2H3sing0.97Å0.95Å
C3H4sing1.09Å1.10Å
O3H5sing0.97Å0.95Å
C4H6sing1.09Å1.10Å
O4H7sing0.97Å0.95Å
C5H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C6H11sing1.09Å1.10Å
O6H12sing0.97Å0.95Å
C6BH13sing1.09Å1.10Å
C6BH14sing1.09Å1.10Å
C6BH15sing1.09Å1.10Å
C5BH16sing1.09Å1.10Å
C5BH17sing1.09Å1.10Å
C4BH18sing1.09Å1.10Å
C4BH19sing1.09Å1.10Å
C3BH20sing1.09Å1.10Å
C3BH21sing1.09Å1.10Å
C2BH22sing1.09Å1.10Å
C2BH23sing1.09Å1.10Å
C1BH24sing1.09Å1.10Å
C1BH25sing1.09Å1.10Å
C1AH26sing1.09Å1.10Å
C5AH27sing1.09Å1.10Å
C6AH28sing1.09Å1.10Å
C6AH29sing1.09Å1.10Å
C4AH30sing1.09Å1.10Å
O4AH31sing0.97Å0.95Å
C3AH32sing1.09Å1.10Å
O3AH33sing0.97Å0.95Å
C2AH34sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C5O5105.8°109.5°
C6C5C4112.0°109.5°
C6C5H8109.8°109.4°
C5C6H9109.5°109.5°
C5C6H10109.5°109.5°
C5C6H11109.4°109.5°
O4C4C5111.9°109.6°
O4C4C3108.8°109.5°
O4C4H6108.9°109.6°
C4O4H7109.5°114.0°
O5C5C4108.8°109.5°
C5O5C1115.0°114.1°
O5C5H8110.9°109.5°
C5C4C3111.5°109.1°
C5C4H6107.7°109.5°
C4C5H8109.5°109.5°
O5C1C2111.8°109.4°
O5C1O2A111.1°109.5°
O5C1H1108.4°109.5°
C4C3C2109.7°109.0°
C4C3O3109.9°109.5°
C4C3H4108.6°109.6°
C3C4H6107.9°109.5°
O4AC4AC3A109.1°109.5°
O4AC4AC5A111.7°109.5°
O4AC4AH30109.7°109.6°
C4AO4AH31109.5°114.0°
C1BO1C1A110.0°114.0°
O1C1BC2B109.6°109.5°
O1C1BH24109.4°109.5°
O1C1BH25109.5°109.4°
O1C1AO5A106.2°109.5°
O1C1AC2A108.2°109.5°
O1C1AH26111.5°109.5°
C2C1O2A109.1°109.5°
C1C2C3108.8°109.2°
C1C2O2109.9°109.6°
C2C1H1107.5°109.5°
C1C2H2109.0°109.5°
C1O2AC2A112.7°114.0°
O2AC1H1108.8°109.5°
C1AO5AC5A111.0°114.1°
O5AC1AC2A109.1°109.4°
O5AC1AH26111.5°109.5°
O5AC5AC6A105.1°109.5°
O5AC5AC4A107.7°109.4°
O5AC5AH27111.7°109.5°
C1AC2AO2A104.5°109.5°
C1AC2AC3A108.1°109.2°
C2AC1AH26110.3°109.5°
C1AC2AH34111.7°109.5°
O2AC2AC3A109.2°109.5°
O2AC2AH34112.1°109.5°
C2AC3AO3A108.8°109.6°
C2AC3AC4A109.5°109.0°
C2AC3AH32109.3°109.5°
C3AC2AH34111.1°109.6°
C1BC2BC3B113.3°109.5°
C1BC2BH22108.5°109.5°
C1BC2BH23108.5°109.5°
C2BC1BH24109.5°109.5°
C2BC1BH25109.4°109.4°
O3AC3AC4A109.0°109.6°
O3AC3AH32110.8°109.6°
C3AO3AH33109.5°113.9°
C5AC6AO6110.3°109.5°
C6AC5AC4A112.5°109.5°
C6AC5AH27109.9°109.5°
C5AC6AH28109.3°109.4°
C5AC6AH29109.3°109.4°
C6AO6H12109.5°114.0°
O6C6AH28109.2°109.5°
O6C6AH29109.3°109.5°
C3AC4AC5A109.3°109.2°
C3AC4AH30108.6°109.5°
C4AC3AH32109.5°109.6°
C4AC5AH27109.9°109.5°
C5AC4AH30108.4°109.5°
C2C3O3110.2°109.6°
C3C2O2109.6°109.5°
C3C2H2109.0°109.5°
C2C3H4108.6°109.5°
O3C3H4109.8°109.6°
C3O3H5109.5°114.0°
O2C2H2110.5°109.5°
C2O2H3109.5°114.1°
C2BC3BC4B111.7°109.4°
C2BC3BH20108.9°109.4°
C2BC3BH21108.9°109.5°
C3BC2BH22108.5°109.5°
C3BC2BH23108.5°109.5°
C3BC4BC5B111.5°109.4°
C3BC4BH18109.0°109.5°
C3BC4BH19109.0°109.5°
C4BC3BH20108.9°109.5°
C4BC3BH21108.9°109.5°
C4BC5BC6B111.8°109.4°
C4BC5BH16108.9°109.5°
C4BC5BH17108.9°109.5°
C5BC4BH18109.0°109.5°
C5BC4BH19108.9°109.5°
C5BC6BH13109.5°109.5°
C5BC6BH14109.5°109.5°
C5BC6BH15109.5°109.5°
C6BC5BH16108.9°109.5°
C6BC5BH17108.9°109.5°
H9C6H10109.4°109.5°
H9C6H11109.5°109.4°
H10C6H11109.5°109.5°
H13C6BH14109.5°109.5°
H13C6BH15109.5°109.5°
H14C6BH15109.5°109.4°
H16C5BH17109.5°109.5°
H18C4BH19109.5°109.5°
H20C3BH21109.5°109.5°
H22C2BH23109.5°109.5°
H24C1BH25109.5°109.5°
H28C6AH29109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C5C4O450.3°57.7°
C6C5O5C4120.5°120.0°
C6C5O5H8119.0°120.0°
C6C5C4H8122.1°120.0°
C6C5O5C1176.7°178.9°
C6C5C4C3172.4°177.6°
C6C5C4H669.4°62.5°
C5C6H9H10120.0°120.0°
C5C6H9H11120.0°120.0°
C5C6H10H11120.0°120.0°
O4C4C5O566.2°62.3°
O4C4C5C3122.1°119.9°
O4C4C5H6119.7°120.2°
O4C4C3H6118.0°120.2°
O4C4C3C266.5°63.0°
O4C4C3O354.9°56.9°
O4C4C3H4175.0°177.1°
O4C4C5H8172.4°177.7°
O5C5C4H8121.4°120.0°
O5C5C4C355.9°57.6°
C5O5C1C257.5°61.1°
C5O5C1O2A64.6°58.8°
C5O5C1H1175.9°178.9°
O5C5C4H6174.0°177.5°
O5C5C6H9180.0°54.2°
O5C5C6H1060.0°174.2°
O5C5C6H1160.0°65.7°
C4C5O5C156.2°61.2°
C5C4C3H6118.1°119.9°
C5C4C3C257.4°56.9°
C5C4C3O3178.7°176.8°
C5C4C3H461.1°62.9°
C5C4O4H7180.0°60.3°
C4C5C6H961.7°65.8°
C4C5C6H10178.4°54.3°
C4C5C6H1158.3°174.3°
O5C1C2O2A123.2°120.0°
O5C1C2H1118.9°120.0°
O5C1O2AH1119.3°120.0°
O5C1O2AC2A59.9°72.1°
O5C1C2C355.1°57.6°
O5C1C2O2175.1°177.6°
O5C1C2H263.7°62.3°
C1O5C5H864.3°58.9°
C4C3C2C155.6°57.0°
C4C3C2O3121.1°119.9°
C4C3C2H4118.5°119.9°
C4C3O3H4119.4°120.3°
C4C3C2O2175.7°176.9°
C4C3C2H263.2°63.0°
C4C3O3H5180.0°179.6°
C3C4O4H756.4°180.0°
C3C4C5H865.5°62.4°
O4AC4AC5AO5A62.2°62.3°
O4AC4AC3AC2A68.1°62.9°
O4AC4AC3AO3A50.8°57.0°
O4AC4AC5AC6A53.1°57.7°
O4AC4AC3AC5A122.3°119.9°
O4AC4AC3AH30119.6°120.2°
O4AC4AC5AH30121.0°120.2°
O4AC4AC5AH27175.9°177.7°
O4AC4AC3AH32172.1°177.2°
C1BO1C1AO5A70.7°71.0°
C1BO1C1AC2A172.3°169.0°
O1C1BC2BH24120.0°120.0°
O1C1BC2BH25120.0°119.9°
O1C1BC2BC3B49.4°175.2°
O1C1BC2BH22170.0°64.8°
O1C1BC2BH2371.1°55.2°
O1C1BH24H25120.0°120.0°
C1BO1C1AH2650.8°49.0°
O1C1AO5AC2A116.4°120.0°
O1C1AO5AH26121.6°120.0°
O1C1AO5AC5A174.8°178.8°
O1C1AC2AH26122.2°120.1°
O1C1AC2AO2A67.7°62.5°
O1C1AC2AC3A176.1°177.6°
C1AO1C1BC2B121.6°175.0°
C1AO1C1BH241.5°55.0°
C1AO1C1BH25118.5°65.0°
O1C1AC2AH3453.7°57.6°
C2C1O2AH1117.0°120.0°
C2C1O2AC2A176.4°167.9°
C1C2C3O2120.2°120.0°
C1C2C3H2118.7°120.0°
C1C2C3O3176.7°176.8°
C1C2O2H2120.3°120.1°
C1C2O2H3180.0°59.9°
C1C2C3H463.0°63.0°
C1O2AC2AC1A146.8°146.7°
C1O2AC2AC3A97.7°93.6°
O2AC1C2C368.2°62.4°
O2AC1C2O251.8°57.6°
O2AC1C2H2173.0°177.7°
C1O2AC2AH3425.8°26.6°
O5AC1AC2AH26122.7°120.0°
O5AC1AC2AO2A177.3°177.5°
O5AC1AC2AC3A61.0°57.6°
C1AO5AC5AC6A173.7°178.8°
C1AO5AC5AC4A66.2°61.2°
C1AO5AC5AH2754.6°58.8°
O5AC1AC2AH3461.4°62.4°
C5AO5AC1AC2A68.9°61.2°
O5AC5AC6AC4A116.9°119.9°
O5AC5AC6AH27120.4°120.0°
O5AC5AC6AO674.3°65.0°
O5AC5AC4AC3A58.6°57.7°
O5AC5AC4AH27121.9°120.0°
C5AO5AC1AH2653.2°58.8°
O5AC5AC6AH28165.6°55.0°
O5AC5AC6AH2945.9°175.0°
O5AC5AC4AH30176.8°177.5°
C1AC2AO2AC3A115.4°119.7°
C1AC2AO2AH34121.1°120.1°
C1AC2AC3AH34122.8°119.9°
C1AC2AC3AO3A174.2°176.9°
C1AC2AC3AC4A55.2°57.0°
C1AC2AC3AH3264.8°62.9°
O2AC2AC3AH34124.1°120.2°
O2AC2AC3AO3A72.8°63.2°
O2AC2AC3AC4A168.3°176.8°
C2AO2AC1H159.4°47.9°
O2AC2AC1AH2654.5°57.5°
O2AC2AC3AH3248.3°57.0°
C2AC3AO3AC4A119.3°119.6°
C2AC3AO3AH32120.2°120.2°
C2AC3AC4AH32119.8°119.9°
C2AC3AC4AC5A54.2°57.0°
C3AC2AC1AH2661.7°62.4°
C2AC3AC4AH30172.3°176.9°
C2AC3AO3AH33180.0°179.6°
C1BC2BC3BH22120.6°120.0°
C1BC2BC3BH23120.6°120.0°
C1BC2BC3BC4B158.2°180.0°
C1BC2BC3BH2081.4°60.1°
C1BC2BC3BH2137.9°60.0°
C1BC2BH22H23118.3°120.0°
C2BC1BH24H25119.9°120.0°
O3AC3AC4AH32121.3°120.2°
O3AC3AC4AC5A173.1°176.9°
O3AC3AC4AH3068.8°63.2°
O3AC3AC2AH3451.4°57.0°
C5AC6AO6H28120.1°120.0°
C5AC6AO6H29120.1°120.0°
C6AC5AC4AC3A173.9°177.6°
C6AC5AC4AH27122.8°120.0°
C5AC6AO6H12180.0°180.0°
C5AC6AH28H29119.6°119.9°
C6AC5AC4AH3067.9°62.5°
O6C6AC5AC4A168.8°175.1°
O6C6AC5AH2746.1°55.0°
O6C6AH28H29119.7°120.1°
C3AC4AC5AH30118.2°119.9°
C3AC4AC5AH2763.4°62.3°
C3AC4AO4AH31180.0°180.0°
C4AC3AO3AH3360.7°60.0°
C4AC3AC2AH3467.6°63.0°
C4AC5AC6AH2848.7°64.9°
C4AC5AC6AH2971.0°55.0°
C5AC4AO4AH3159.1°60.3°
C5AC4AC3AH3265.6°62.8°
C2C3O3H4119.6°120.2°
C3C2O2H2120.2°120.1°
C3C2C1H1174.0°177.6°
C3C2O2H360.4°179.7°
C2C3O3H559.0°60.0°
C2C3C4H6175.5°176.8°
O3C3C2O263.1°63.2°
O3C3C2H258.0°56.9°
O3C3C4H663.2°63.3°
O2C2C1H166.0°62.5°
O2C2C3H457.2°57.0°
C2BC3BC4BH20120.4°119.9°
C2BC3BC4BH21120.3°120.0°
C2BC3BC4BC5B160.9°180.0°
C2BC3BC4BH1878.8°60.1°
C2BC3BC4BH1940.6°60.0°
C2BC3BH20H21119.0°120.0°
C3BC2BH22H23118.2°120.0°
C3BC2BC1BH2470.6°64.7°
C3BC2BC1BH25169.4°55.3°
C3BC4BC5BH18120.3°120.0°
C3BC4BC5BH19120.3°120.0°
C3BC4BC5BC6B160.6°180.0°
C3BC4BC5BH1640.3°60.0°
C3BC4BC5BH1779.0°60.0°
C3BC4BH18H19119.1°120.0°
C4BC3BH20H21118.9°120.0°
C4BC3BC2BH2237.6°60.0°
C4BC3BC2BH2381.2°60.0°
C4BC5BC6BH16120.3°120.0°
C4BC5BC6BH17120.3°120.0°
C4BC5BC6BH13180.0°60.0°
C4BC5BC6BH1460.0°60.0°
C4BC5BC6BH1560.0°180.0°
C4BC5BH16H17118.9°120.0°
C5BC4BH18H19119.1°120.0°
C5BC4BC3BH2040.5°60.0°
C5BC4BC3BH2178.8°60.0°
C5BC6BH13H14120.0°120.0°
C5BC6BH13H15120.0°120.0°
C5BC6BH14H15120.0°120.0°
C6BC5BH16H17119.0°120.0°
C6BC5BC4BH1879.1°60.0°
C6BC5BC4BH1940.3°60.0°
H1C1C2H255.2°57.6°
H2C2O2H359.8°60.2°
H2C2C3H4178.3°177.1°
H4C3O3H560.6°60.2°
H4C3C4H656.9°57.0°
H6C4O4H761.0°59.9°
H6C4C5H852.7°57.5°
H8C5C6H960.2°174.2°
H8C5C6H1059.7°65.8°
H8C5C6H11179.8°54.3°
H9C6H10H11120.0°120.0°
H12O6C6AH2859.9°60.1°
H12O6C6AH2959.9°60.0°
H13C6BH14H15120.0°120.0°
H13C6BC5BH1659.7°60.0°
H13C6BC5BH1759.7°180.0°
H14C6BC5BH16179.7°180.0°
H14C6BC5BH1760.3°60.0°
H15C6BC5BH1660.3°60.0°
H15C6BC5BH17179.7°60.0°
H16C5BC4BH18160.5°180.0°
H16C5BC4BH1980.1°59.9°
H17C5BC4BH1841.2°60.0°
H17C5BC4BH19160.6°NaN°
H18C4BC3BH20160.8°180.0°
H18C4BC3BH2141.5°60.0°
H19C4BC3BH2079.8°59.9°
H19C4BC3BH21160.9°180.0°
H20C3BC2BH22158.0°180.0°
H20C3BC2BH2339.1°60.0°
H21C3BC2BH2282.7°60.0°
H21C3BC2BH23158.5°180.0°
H22C2BC1BH2449.9°55.2°
H22C2BC1BH2570.0°175.2°
H23C2BC1BH24168.8°175.2°
H23C2BC1BH2548.9°64.8°
H26C1AC2AH34175.9°177.6°
H27C5AC6AH2874.0°175.0°
H27C5AC6AH29166.2°65.0°
H27C5AC4AH3054.9°57.5°
H30C4AO4AH3161.1°59.9°
H30C4AC3AH3252.5°57.0°
H32C3AO3AH3359.8°60.2°
H32C3AC2AH34172.4°177.2°

225946

PDB entries from 2024-10-09

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