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3XA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C2sing1.43Å1.42Å
O1C3'sing1.43Å1.42Å
C3C2sing1.53Å1.52Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
N4C3sing1.47Å1.46Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C5N4sing1.47Å1.45Å
N4HN4sing1.01Å1.00Å
C5C6sing1.53Å1.52Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C11C6sing1.51Å1.50Å
C6F7sing1.40Å1.32Å
C6F8sing1.40Å1.32Å
C2'N1'sing1.49Å1.44Å
N1'C5'sing1.49Å1.48Å
N1'HN1'sing1.01Å1.00Å
C16C11doub1.38Å1.39ÅAromatic
C12C11sing1.38Å1.39ÅAromatic
C13C12doub1.38Å1.39ÅAromatic
C12H12sing1.08Å1.08Å
C14C13sing1.39Å1.39ÅAromatic
F13C13sing1.35Å1.34Å
C14C15doub1.38Å1.40ÅAromatic
C14H14sing1.08Å1.08Å
C15C16sing1.38Å1.40ÅAromatic
C15H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
N1AC2Adoub1.32Å1.35ÅAromatic
N1AC6Asing1.32Å1.35ÅAromatic
C2'C3'sing1.54Å1.55Å
C2'H2'sing1.09Å1.10Å
C2'H2'Asing1.09Å1.10Å
C7AC2Asing1.51Å1.53Å
C2AC3Asing1.38Å1.40ÅAromatic
C3'C4'sing1.54Å1.53Å
C3'H3'sing1.09Å1.10Å
C3AC4Adoub1.39Å1.40ÅAromatic
C3AH3AAsing1.08Å1.08Å
C7AC4'sing1.53Å1.55Å
C5'C4'sing1.54Å1.53Å
C4'H4'sing1.09Å1.10Å
C5AC4Asing1.38Å1.39ÅAromatic
C4AC8Asing1.51Å1.50Å
C5'H5'sing1.09Å1.10Å
C5'H5'Asing1.09Å1.10Å
C6AC5Adoub1.39Å1.40ÅAromatic
C5AH5AAsing1.08Å1.08Å
N6AC6Asing1.39Å1.36Å
N6AHN6Asing0.97Å1.00Å
N6AHN6Bsing0.97Å1.00Å
C7AH7Asing1.09Å1.10Å
C7AH7AAsing1.09Å1.10Å
C8AH8Asing1.09Å1.10Å
C8AH8AAsing1.09Å1.10Å
C8AH8ABsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2O1C3'110.0°114.0°
O1C2C3108.9°109.5°
O1C2H2109.7°109.5°
O1C2H2A109.7°109.5°
O1C3'C2'114.1°110.3°
O1C3'C4'111.7°110.3°
O1C3'H3'103.8°110.3°
C3C2H2109.7°109.4°
C3C2H2A109.7°109.5°
C2C3N4109.9°109.5°
C2C3H3109.3°109.5°
C2C3H3A109.3°109.5°
H2C2H2A109.3°109.5°
N4C3H3109.3°109.4°
N4C3H3A109.3°109.5°
C3N4C5121.1°111.0°
C3N4HN4105.8°111.0°
H3C3H3A109.6°109.5°
C5N4HN4105.8°110.9°
N4C5C6108.4°109.5°
N4C5H5109.8°109.4°
N4C5H5A109.8°109.4°
C6C5H5109.8°109.5°
C6C5H5A109.8°109.5°
C5C6C11112.5°109.4°
C5C6F7108.8°109.5°
C5C6F8108.2°109.5°
H5C5H5A109.1°109.5°
C11C6F7106.0°109.5°
C11C6F8110.4°109.5°
C6C11C16122.3°120.0°
C6C11C12117.3°119.9°
F7C6F8110.9°109.5°
C2'N1'C5'113.0°104.2°
C2'N1'HN1'108.3°111.0°
N1'C2'C3'103.2°104.6°
N1'C2'H2'111.6°110.4°
N1'C2'H2'A111.6°110.4°
C5'N1'HN1'108.3°111.0°
N1'C5'C4'105.0°104.6°
N1'C5'H5'111.0°110.4°
N1'C5'H5'A111.0°110.3°
C16C11C12120.4°120.0°
C11C16C15119.5°120.0°
C11C16H16120.2°120.0°
C11C12C13119.9°120.0°
C11C12H12120.1°120.1°
C13C12H12120.1°119.9°
C12C13C14120.5°119.9°
C12C13F13118.4°120.1°
C14C13F13121.1°120.0°
C13C14C15119.6°120.0°
C13C14H14120.2°120.0°
C15C14H14120.2°120.1°
C14C15C16120.2°120.0°
C14C15H15119.9°120.0°
C16C15H15119.9°120.0°
C15C16H16120.2°120.0°
C2AN1AC6A122.9°121.6°
N1AC2AC7A118.8°119.6°
N1AC2AC3A118.2°120.8°
N1AC6AC5A121.2°120.6°
N1AC6AN6A116.2°119.7°
C3'C2'H2'111.6°110.4°
C3'C2'H2'A111.6°110.4°
C2'C3'C4'107.0°105.0°
C2'C3'H3'108.9°110.3°
H2'C2'H2'A107.2°110.4°
C7AC2AC3A123.0°119.6°
C2AC7AC4'112.8°109.4°
C2AC7AH7A108.4°109.5°
C2AC7AH7AA108.4°109.5°
C2AC3AC4A120.4°119.4°
C2AC3AH3AA119.8°120.3°
C4'C3'H3'111.4°110.5°
C3'C4'C7A114.2°110.3°
C3'C4'C5'102.0°105.1°
C3'C4'H4'114.0°110.3°
C4AC3AH3AA119.8°120.3°
C3AC4AC5A120.0°118.5°
C3AC4AC8A119.1°120.8°
C7AC4'C5'116.1°110.4°
C7AC4'H4'99.2°110.3°
C4'C7AH7A108.4°109.5°
C4'C7AH7AA108.4°109.4°
C5'C4'H4'112.0°110.3°
C4'C5'H5'111.0°110.5°
C4'C5'H5'A111.0°110.4°
C5AC4AC8A120.8°120.7°
C4AC5AC6A117.3°119.1°
C4AC5AH5AA121.4°120.5°
C4AC8AH8A109.5°109.4°
C4AC8AH8AA109.5°109.5°
C4AC8AH8AB109.5°109.4°
H5'C5'H5'A107.9°110.5°
C6AC5AH5AA121.3°120.4°
C5AC6AN6A122.6°119.7°
C6AN6AHN6A109.5°120.0°
C6AN6AHN6B109.5°120.0°
HN6AN6AHN6B109.4°120.0°
H7AC7AH7AA110.5°109.5°
H8AC8AH8AA109.5°109.4°
H8AC8AH8AB109.5°109.5°
H8AAC8AH8AB109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C2C3H2120.0°120.0°
O1C2C3H2A120.0°120.0°
O1C2H2H2A120.3°120.0°
O1C2C3N476.9°65.0°
O1C2C3H3163.1°175.0°
O1C2C3H3A43.1°55.0°
C2O1C3'C2'103.6°91.5°
C2O1C3'C4'134.8°152.9°
C2O1C3'H3'14.7°30.6°
C3'O1C2C3101.4°180.0°
C3'O1C2H2138.6°60.0°
C3'O1C2H2A18.5°60.0°
O1C3'C2'N1'146.3°142.7°
O1C3'C2'C4'124.1°118.8°
O1C3'C2'H3'115.4°122.1°
O1C3'C2'H2'93.7°98.5°
O1C3'C2'H2'A26.3°23.9°
O1C3'C4'H3'115.6°122.2°
O1C3'C4'C7A30.7°0.1°
O1C3'C4'C5'156.7°118.9°
O1C3'C4'H4'82.4°122.2°
C3C2H2H2A120.2°120.0°
C2C3N4H3120.0°120.0°
C2C3N4H3A120.0°120.0°
C2C3H3H3A119.8°120.0°
C2C3N4C5144.1°180.0°
C2C3N4HN495.9°56.1°
H2C2C3N443.1°55.0°
H2C2C3H376.9°65.0°
H2C2C3H3A163.1°175.0°
H2AC2C3N4163.1°175.0°
H2AC2C3H343.1°55.0°
H2AC2C3H3A76.9°65.0°
N4C3H3H3A119.8°119.9°
C3N4C5HN4120.0°123.9°
C3N4C5C679.9°180.0°
C3N4C5H540.1°60.0°
C3N4C5H5A160.1°60.0°
H3C3N4C524.1°60.0°
H3C3N4HN4144.1°176.1°
H3AC3N4C595.9°60.0°
H3AC3N4HN424.1°63.9°
N4C5C6H5120.0°120.0°
N4C5C6H5A120.0°120.0°
N4C5H5H5A120.4°119.9°
N4C5C6C11167.8°180.0°
N4C5C6F750.6°60.0°
N4C5C6F870.0°60.0°
HN4N4C5C6160.1°56.0°
HN4N4C5H579.9°176.1°
HN4N4C5H5A40.1°63.9°
C6C5H5H5A120.4°120.0°
C5C6C11F7118.8°120.0°
C5C6C11F8121.0°120.0°
C5C6F7F8118.9°120.0°
C5C6C11C1680.7°90.2°
C5C6C11C12100.0°90.0°
H5C5C6C1172.3°60.0°
H5C5C6F7170.6°180.0°
H5C5C6F850.0°60.0°
H5AC5C6C1147.8°60.1°
H5AC5C6F769.4°60.0°
H5AC5C6F8170.0°180.0°
C11C6F7F8119.9°120.0°
C6C11C16C12179.3°179.7°
C6C11C12C13179.6°180.0°
C6C11C12H120.4°0.1°
C6C11C16C15179.4°179.8°
C6C11C16H160.6°0.3°
F7C6C11C16160.5°149.7°
F7C6C11C1218.8°30.0°
F8C6C11C1640.3°29.7°
F8C6C11C12139.1°150.0°
C2'N1'C5'HN1'120.0°119.5°
N1'C2'C3'H2'120.0°118.8°
N1'C2'C3'H2'A120.0°118.8°
N1'C2'H2'H2'A122.6°122.4°
N1'C2'C3'C4'22.2°23.9°
N1'C2'C3'H3'98.3°95.2°
C2'N1'C5'C4'15.7°39.5°
C2'N1'C5'H5'135.7°79.3°
C2'N1'C5'H5'A104.3°158.3°
C5'N1'C2'C3'3.8°39.5°
C5'N1'C2'H2'123.9°158.2°
C5'N1'C2'H2'A116.1°79.3°
N1'C5'C4'C3'28.0°23.9°
N1'C5'C4'C7A96.7°142.8°
N1'C5'C4'H5'120.0°118.8°
N1'C5'C4'H5'A120.0°118.7°
N1'C5'C4'H4'150.4°95.0°
N1'C5'H5'H5'A121.8°122.3°
HN1'N1'C2'C3'123.8°159.1°
HN1'N1'C2'H2'116.1°82.2°
HN1'N1'C2'H2'A3.9°40.2°
HN1'N1'C5'C4'104.3°159.0°
HN1'N1'C5'H5'15.7°40.2°
HN1'N1'C5'H5'A135.7°82.2°
C16C11C12C130.2°0.3°
C16C11C12H12179.8°179.8°
C11C16C15C140.1°0.5°
C11C16C15H16180.0°179.5°
C11C16C15H15179.9°179.7°
C11C12C13H12180.0°179.9°
C11C12C13C140.2°0.0°
C11C12C13F13179.6°180.0°
C12C11C16C150.1°0.5°
C12C11C16H16180.0°180.0°
C12C13C14F13179.8°180.0°
C12C13C14C150.0°0.0°
C12C13C14H14180.0°180.0°
H12C12C13C14179.8°179.9°
H12C12C13F130.4°0.1°
C13C14C15H14180.0°180.0°
C13C14C15C160.1°0.2°
C13C14C15H15179.9°180.0°
F13C13C14C15179.8°180.0°
F13C13C14H140.2°0.0°
C14C15C16H15180.0°179.7°
C14C15C16H16179.9°180.0°
H14C14C15C16179.8°179.7°
H14C14C15H150.2°0.0°
H15C15C16H160.1°0.2°
N1AC2AC7AC3A179.2°179.9°
N1AC2AC3AC4A0.3°0.0°
N1AC2AC3AH3AA179.7°180.0°
N1AC2AC7AC4'84.5°55.1°
C2AN1AC6AC5A1.0°0.0°
C2AN1AC6AN6A179.8°180.0°
N1AC2AC7AH7A35.5°64.9°
N1AC2AC7AH7AA155.5°175.0°
C6AN1AC2AC7A179.8°180.0°
C6AN1AC2AC3A0.6°0.0°
N1AC6AC5AC4A1.1°0.0°
N1AC6AC5AN6A178.7°180.0°
N1AC6AC5AH5AA178.9°179.9°
N1AC6AN6AHN6A0.0°0.0°
N1AC6AN6AHN6B120.0°180.0°
C3'C2'H2'H2'A122.5°122.4°
C2'C3'C4'H3'118.9°119.0°
C2'C3'C4'C7A94.9°119.0°
C2'C3'C4'C5'31.2°0.0°
C2'C3'C4'H4'152.1°118.9°
H2'C2'C3'C4'142.2°142.6°
H2'C2'C3'H3'21.7°23.6°
H2'AC2'C3'C4'97.8°94.9°
H2'AC2'C3'H3'141.7°146.0°
C2AC7AC4'C3'176.6°175.0°
C7AC2AC3AC4A179.5°179.9°
C7AC2AC3AH3AA0.5°0.1°
C2AC7AC4'H7A120.0°120.0°
C2AC7AC4'H7AA120.0°120.0°
C2AC7AC4'C5'58.3°69.3°
C2AC7AC4'H4'61.8°52.9°
C2AC7AH7AH7AA118.6°120.1°
C2AC3AC4AH3AA180.0°179.9°
C3AC2AC7AC4'94.6°125.0°
C2AC3AC4AC5A0.5°0.0°
C2AC3AC4AC8A180.0°179.9°
C3AC2AC7AH7A145.3°115.0°
C3AC2AC7AH7AA25.4°5.1°
C3'C4'C7AC5'118.2°115.7°
C3'C4'C7AH4'121.6°122.1°
C3'C4'C5'H4'122.3°118.9°
C3'C4'C5'H5'148.0°94.9°
C3'C4'C5'H5'A92.0°142.6°
C3'C4'C7AH7A56.6°65.0°
C3'C4'C7AH7AA63.4°55.0°
H3'C3'C4'C7A146.3°122.1°
H3'C3'C4'C5'87.7°119.0°
H3'C3'C4'H4'33.2°0.0°
C3AC4AC5AC8A179.5°179.9°
C3AC4AC5AC6A0.9°0.0°
C3AC4AC5AH5AA179.1°179.9°
C3AC4AC8AH8A90.2°90.1°
C3AC4AC8AH8AA149.8°150.0°
C3AC4AC8AH8AB29.8°29.9°
H3AAC3AC4AC5A179.5°179.9°
H3AAC3AC4AC8A0.0°0.0°
C7AC4'C5'H4'112.9°122.2°
C7AC4'C5'H5'23.3°24.0°
C7AC4'C5'H5'A143.3°98.5°
C4'C7AH7AH7AA118.6°120.0°
C4'C5'H5'H5'A121.8°122.5°
C5'C4'C7AH7A61.7°50.7°
C5'C4'C7AH7AA178.3°170.7°
H4'C4'C5'H5'89.7°146.2°
H4'C4'C5'H5'A30.3°23.7°
H4'C4'C7AH7A178.2°172.9°
H4'C4'C7AH7AA58.2°67.1°
C4AC5AC6AH5AA180.0°180.0°
C4AC5AC6AN6A179.9°180.0°
C5AC4AC8AH8A90.3°90.0°
C5AC4AC8AH8AA29.8°29.9°
C5AC4AC8AH8AB149.7°150.0°
C8AC4AC5AC6A179.6°179.9°
C8AC4AC5AH5AA0.4°0.0°
C4AC8AH8AH8AA120.0°120.0°
C4AC8AH8AH8AB120.0°120.0°
C4AC8AH8AAH8AB120.0°120.0°
C5AC6AN6AHN6A178.7°180.0°
C5AC6AN6AHN6B58.8°0.0°
H5AAC5AC6AN6A0.1°0.0°
C6AN6AHN6AHN6B120.0°179.9°
H8AC8AH8AAH8AB120.0°120.0°

222624

PDB entries from 2024-07-17

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