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3XC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1sing1.43Å1.44Å
C1C2sing1.53Å1.53Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C3'O1sing1.43Å1.45Å
N2C2sing1.47Å1.45Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
N2C3sing1.47Å1.45Å
N2HN2sing1.01Å1.00Å
C4C3sing1.53Å1.55Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
F6C4sing1.40Å1.34Å
C4F5sing1.40Å1.33Å
C4C11sing1.51Å1.53Å
N1'C5'sing1.49Å1.47Å
N1'C2'sing1.49Å1.45Å
N1'HN1'sing1.01Å1.00Å
C16C11doub1.38Å1.40ÅAromatic
C11C12sing1.38Å1.40ÅAromatic
C12C13doub1.38Å1.38ÅAromatic
C12H12sing1.08Å1.08Å
C14C13sing1.38Å1.39ÅAromatic
C13H13sing1.08Å1.08Å
C15C14doub1.38Å1.40ÅAromatic
C14F14sing1.35Å1.34Å
C16C15sing1.38Å1.39ÅAromatic
C15H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C6AN1Adoub1.32Å1.35ÅAromatic
C2AN1Asing1.32Å1.37ÅAromatic
C2'C3'sing1.54Å1.53Å
C2'H2'sing1.09Å1.10Å
C2'H2'Asing1.09Å1.10Å
C3AC2Adoub1.38Å1.40ÅAromatic
C2AC7Asing1.51Å1.52Å
C4'C3'sing1.54Å1.53Å
C3'H3'sing1.09Å1.10Å
C4AC3Asing1.39Å1.40ÅAromatic
C3AH3AAsing1.08Å1.08Å
C5'C4'sing1.54Å1.54Å
C4'C7Asing1.53Å1.53Å
C4'H4'sing1.09Å1.10Å
C8AC4Asing1.51Å1.50Å
C4AC5Adoub1.38Å1.40ÅAromatic
C5'H5'sing1.09Å1.10Å
C5'H5'Asing1.09Å1.10Å
C5AC6Asing1.39Å1.39ÅAromatic
C5AH5Asing1.08Å1.08Å
C6AN6Asing1.39Å1.36Å
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)
O1C1C2109.1°109.4°
O1C1H1109.6°109.5°
O1C1H1A109.6°109.5°
C1O1C3'117.7°114.0°
C2C1H1109.6°109.4°
C2C1H1A109.6°109.5°
C1C2N2114.9°109.5°
C1C2H2107.7°109.4°
C1C2H2A107.7°109.5°
H1C1H1A109.4°109.5°
O1C3'C2'107.9°110.3°
O1C3'C4'108.0°110.3°
O1C3'H3'108.9°110.3°
N2C2H2107.7°109.5°
N2C2H2A107.7°109.5°
C2N2C3117.6°111.0°
C2N2HN2106.8°111.0°
H2C2H2A111.2°109.4°
C3N2HN2106.9°111.0°
N2C3C4112.0°109.5°
N2C3H3108.6°109.5°
N2C3H3A108.7°109.5°
C4C3H3108.6°109.4°
C4C3H3A108.6°109.4°
C3C4F6110.9°109.5°
C3C4F5109.9°109.5°
C3C4C11106.9°109.5°
H3C3H3A110.3°109.5°
F6C4F5106.6°109.4°
F6C4C11109.2°109.5°
F5C4C11113.5°109.5°
C4C11C16120.2°120.0°
C4C11C12121.3°120.0°
C5'N1'C2'112.0°104.2°
C5'N1'HN1'108.6°111.0°
N1'C5'C4'102.2°104.6°
N1'C5'H5'111.9°110.4°
N1'C5'H5'A112.0°110.4°
C2'N1'HN1'108.6°111.0°
N1'C2'C3'101.2°104.6°
N1'C2'H2'112.3°110.4°
N1'C2'H2'A112.3°110.4°
C16C11C12118.5°120.0°
C11C16C15120.6°120.0°
C11C16H16119.7°120.0°
C11C12C13122.1°120.0°
C11C12H12118.9°120.0°
C13C12H12118.9°120.0°
C12C13C14118.0°120.0°
C12C13H13121.0°120.0°
C14C13H13121.0°120.0°
C13C14C15121.6°119.9°
C13C14F14118.9°120.0°
C15C14F14119.5°120.0°
C14C15C16119.1°120.0°
C14C15H15120.4°120.0°
C16C15H15120.5°120.0°
C15C16H16119.7°120.0°
C6AN1AC2A122.8°121.6°
N1AC6AC5A118.9°120.6°
N1AC6AN6A119.8°119.7°
N1AC2AC3A119.8°120.9°
N1AC2AC7A117.6°119.6°
C3'C2'H2'112.3°110.4°
C3'C2'H2'A112.3°110.4°
C2'C3'C4'100.3°105.1°
C2'C3'H3'115.7°110.3°
H2'C2'H2'A106.5°110.5°
C3AC2AC7A122.6°119.5°
C2AC3AC4A118.2°119.3°
C2AC3AH3AA120.9°120.4°
C2AC7AC4'112.5°109.5°
C2AC7AH7A108.5°109.5°
C2AC7AH7AA108.5°109.5°
C4'C3'H3'115.6°110.4°
C3'C4'C5'101.4°105.0°
C3'C4'C7A115.5°110.3°
C3'C4'H4'112.8°110.4°
C4AC3AH3AA120.9°120.3°
C3AC4AC8A121.8°120.8°
C3AC4AC5A120.1°118.5°
C5'C4'C7A114.3°110.3°
C5'C4'H4'114.0°110.4°
C4'C5'H5'111.9°110.4°
C4'C5'H5'A111.9°110.4°
C7AC4'H4'99.4°110.3°
C4'C7AH7A108.5°109.5°
C4'C7AH7AA108.5°109.5°
C8AC4AC5A118.1°120.7°
C4AC8AH8A109.5°109.5°
C4AC8AH8AA109.4°109.5°
C4AC8AH8AB109.4°109.4°
C4AC5AC6A120.2°119.1°
C4AC5AH5A119.9°120.5°
H5'C5'H5'A106.9°110.4°
C6AC5AH5A119.9°120.4°
C5AC6AN6A121.2°119.7°
C6AN6AHN6A109.5°120.0°
C6AN6AHN6B109.4°120.0°
HN6AN6AHN6B109.5°120.0°
H7AC7AH7AA110.4°109.5°
H8AC8AH8AA109.5°109.5°
H8AC8AH8AB109.4°109.4°
H8AAC8AH8AB109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2H1120.0°120.0°
O1C1C2H1A120.0°120.0°
O1C1H1H1A120.1°120.1°
O1C1C2N258.9°65.0°
O1C1C2H2178.9°175.0°
O1C1C2H2A61.1°55.0°
C1O1C3'C2'73.1°91.5°
C1O1C3'C4'179.4°152.9°
C1O1C3'H3'53.2°30.7°
C2C1H1H1A120.2°120.0°
C2C1O1C3'173.8°180.0°
C1C2N2H2120.0°120.0°
C1C2N2H2A120.0°120.0°
C1C2H2H2A117.7°119.9°
C1C2N2C3149.9°180.0°
C1C2N2HN290.1°56.0°
H1C1O1C3'66.2°60.0°
H1C1C2N261.1°55.0°
H1C1C2H259.0°65.1°
H1C1C2H2A178.9°175.0°
H1AC1O1C3'53.8°60.0°
H1AC1C2N2178.9°174.9°
H1AC1C2H261.1°54.9°
H1AC1C2H2A58.9°65.0°
O1C3'C2'N1'70.4°142.7°
O1C3'C2'C4'112.8°118.9°
O1C3'C2'H3'122.2°122.1°
O1C3'C2'H2'49.6°24.0°
O1C3'C2'H2'A169.6°98.5°
O1C3'C4'H3'122.1°122.1°
O1C3'C4'C5'66.1°118.9°
O1C3'C4'C7A58.1°0.0°
O1C3'C4'H4'171.6°122.1°
N2C2H2H2A117.8°120.0°
C2N2C3HN2120.0°124.0°
C2N2C3C4165.0°180.0°
C2N2C3H375.0°60.0°
C2N2C3H3A45.0°60.0°
H2C2N2C329.9°60.0°
H2C2N2HN2149.9°176.0°
H2AC2N2C390.1°60.0°
H2AC2N2HN229.9°64.0°
N2C3C4H3120.0°120.0°
N2C3C4H3A120.0°120.0°
N2C3H3H3A119.0°120.0°
N2C3C4F668.6°60.0°
N2C3C4F549.0°59.9°
N2C3C4C11172.5°180.0°
HN2N2C3C445.0°56.0°
HN2N2C3H3165.0°176.0°
HN2N2C3H3A75.0°64.0°
C4C3H3H3A119.0°119.9°
C3C4F6F5119.6°120.0°
C3C4F6C11117.5°120.0°
C3C4F5C11119.6°120.1°
C3C4C11C1679.4°90.2°
C3C4C11C1298.4°90.0°
H3C3C4F651.4°60.0°
H3C3C4F5169.0°180.0°
H3C3C4C1167.5°60.0°
H3AC3C4F6171.4°180.0°
H3AC3C4F571.0°60.1°
H3AC3C4C1152.5°60.0°
F6C4F5C11120.2°120.0°
F6C4C11C1640.6°29.8°
F6C4C11C12141.6°150.0°
F5C4C11C16159.4°149.7°
F5C4C11C1222.9°30.1°
C4C11C16C12177.8°179.8°
C4C11C12C13176.9°180.0°
C4C11C12H123.1°0.0°
C4C11C16C15179.0°179.7°
C4C11C16H160.9°0.1°
C5'N1'C2'HN1'120.0°119.5°
C5'N1'C2'C3'22.9°39.5°
C5'N1'C2'H2'142.8°79.3°
C5'N1'C2'H2'A97.1°158.2°
N1'C5'C4'C3'32.8°23.9°
N1'C5'C4'H5'120.0°118.8°
N1'C5'C4'H5'A120.0°118.8°
N1'C5'C4'C7A157.8°142.7°
N1'C5'C4'H4'88.7°95.1°
N1'C5'H5'H5'A122.9°122.4°
N1'C2'C3'H2'120.0°118.8°
N1'C2'C3'H2'A120.0°118.7°
N1'C2'H2'H2'A123.3°122.4°
N1'C2'C3'C4'42.4°23.8°
N1'C2'C3'H3'167.4°95.1°
C2'N1'C5'C4'6.3°39.5°
C2'N1'C5'H5'126.2°158.3°
C2'N1'C5'H5'A113.7°79.3°
HN1'N1'C2'C3'97.1°159.0°
HN1'N1'C2'H2'22.8°40.2°
HN1'N1'C2'H2'A142.9°82.3°
HN1'N1'C5'C4'126.3°159.0°
HN1'N1'C5'H5'113.8°82.2°
HN1'N1'C5'H5'A6.3°40.2°
C16C11C12C131.0°0.3°
C16C11C12H12179.1°179.7°
C11C16C15C142.0°0.5°
C11C16C15H16180.0°179.8°
C11C16C15H15178.0°179.7°
C11C12C13H12180.0°180.0°
C11C12C13C142.2°0.0°
C11C12C13H13177.8°180.0°
C12C11C16C151.2°0.5°
C12C11C16H16178.8°179.7°
C12C13C14H13180.0°180.0°
C12C13C14C151.3°0.0°
C12C13C14F14178.3°179.9°
H12C12C13C14177.8°180.0°
H12C12C13H132.2°0.0°
C13C14C15F14179.6°179.9°
C13C14C15C160.8°0.2°
C13C14C15H15179.3°180.0°
H13C13C14C15178.7°180.0°
H13C13C14F141.7°0.1°
C14C15C16H15180.0°179.8°
C14C15C16H16177.9°179.7°
F14C14C15C16179.6°179.7°
F14C14C15H150.4°0.1°
H15C15C16H162.0°0.1°
C6AN1AC2AC3A0.1°0.1°
C6AN1AC2AC7A179.8°180.0°
N1AC6AC5AC4A0.5°0.1°
N1AC6AC5AN6A179.6°179.9°
N1AC6AC5AH5A179.5°180.0°
N1AC6AN6AHN6A0.0°180.0°
N1AC6AN6AHN6B120.0°0.1°
N1AC2AC3AC7A179.8°179.9°
N1AC2AC3AC4A0.6°0.1°
N1AC2AC3AH3AA179.4°180.0°
N1AC2AC7AC4'109.0°55.0°
C2AN1AC6AC5A0.2°0.1°
C2AN1AC6AN6A179.8°180.0°
N1AC2AC7AH7A131.0°65.0°
N1AC2AC7AH7AA11.0°175.1°
C3'C2'H2'H2'A123.3°122.4°
C2'C3'C4'H3'125.1°118.9°
C2'C3'C4'C5'46.7°0.0°
C2'C3'C4'C7A170.9°118.9°
C2'C3'C4'H4'75.6°119.0°
H2'C2'C3'C4'162.4°94.9°
H2'C2'C3'H3'72.6°146.1°
H2'AC2'C3'C4'77.6°142.6°
H2'AC2'C3'H3'47.4°23.6°
C2AC3AC4AH3AA180.0°179.9°
C3AC2AC7AC4'71.2°125.1°
C2AC3AC4AC8A178.6°179.9°
C2AC3AC4AC5A1.3°0.1°
C3AC2AC7AH7A48.7°115.0°
C3AC2AC7AH7AA168.7°5.0°
C2AC7AC4'C3'167.4°175.0°
C7AC2AC3AC4A179.1°180.0°
C7AC2AC3AH3AA0.9°0.0°
C2AC7AC4'C5'75.5°69.4°
C2AC7AC4'H7A120.0°120.0°
C2AC7AC4'H7AA120.0°120.0°
C2AC7AC4'H4'46.4°52.8°
C2AC7AH7AH7AA118.8°120.0°
C3'C4'C5'C7A125.0°118.8°
C3'C4'C5'H4'121.5°119.0°
C3'C4'C7AH4'121.0°122.2°
C3'C4'C5'H5'152.8°142.7°
C3'C4'C5'H5'A87.2°94.9°
C3'C4'C7AH7A47.4°55.1°
C3'C4'C7AH7AA72.6°64.9°
H3'C3'C4'C5'171.8°119.0°
H3'C3'C4'C7A64.0°122.2°
H3'C3'C4'H4'49.4°0.1°
C3AC4AC8AC5A177.4°180.0°
C3AC4AC5AC6A1.2°0.1°
C3AC4AC5AH5A178.8°179.9°
C3AC4AC8AH8A88.6°89.9°
C3AC4AC8AH8AA151.4°150.0°
C3AC4AC8AH8AB31.4°30.0°
H3AAC3AC4AC8A1.4°0.0°
H3AAC3AC4AC5A178.7°180.0°
C5'C4'C7AH4'121.9°122.3°
C4'C5'H5'H5'A122.9°122.4°
C5'C4'C7AH7A164.5°170.6°
C5'C4'C7AH7AA44.5°50.6°
C7AC4'C5'H5'82.2°98.5°
C7AC4'C5'H5'A37.8°23.9°
C4'C7AH7AH7AA118.8°120.0°
H4'C4'C5'H5'31.3°23.7°
H4'C4'C5'H5'A151.3°146.1°
H4'C4'C7AH7A73.6°67.1°
H4'C4'C7AH7AA166.4°172.9°
C8AC4AC5AC6A178.7°179.9°
C8AC4AC5AH5A1.3°0.1°
C4AC8AH8AH8AA120.0°120.1°
C4AC8AH8AH8AB120.0°120.0°
C4AC8AH8AAH8AB120.0°120.0°
C4AC5AC6AH5A180.0°179.9°
C4AC5AC6AN6A179.1°180.0°
C5AC4AC8AH8A88.8°90.0°
C5AC4AC8AH8AA31.2°30.0°
C5AC4AC8AH8AB151.2°150.0°
C5AC6AN6AHN6A179.6°0.1°
C5AC6AN6AHN6B59.6°180.0°
H5AC5AC6AN6A0.9°0.2°
C6AN6AHN6AHN6B120.0°179.9°
H8AC8AH8AAH8AB120.0°119.9°

222624

PDB entries from 2024-07-17

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