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USQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.34Å1.41Å
N1C6sing1.37Å1.39Å
N1C1Dsing1.47Å1.48Å
C2N3sing1.35Å1.40Å
C2O2doub1.22Å1.24Å
N3C4sing1.35Å1.40Å
N3HN3sing0.97Å1.00Å
C4C5sing1.42Å1.46Å
C4O4doub1.22Å1.22Å
C5C6doub1.35Å1.36Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C1DC2Dsing1.55Å1.53Å
C1DO4Dsing1.44Å1.45Å
C1DH1Dsing1.09Å1.10Å
C2DO2Dsing1.43Å1.43Å
C2DC3Dsing1.55Å1.52Å
C2DH2Dsing1.09Å1.10Å
O2DHO2'sing0.97Å0.95Å
C3DC4Dsing1.54Å1.52Å
C3DO3Dsing1.43Å1.43Å
C3DH3Dsing1.09Å1.10Å
C4DO4Dsing1.44Å1.45Å
C4DC5Dsing1.53Å1.54Å
C4DH4Dsing1.09Å1.10Å
O3DHO3'sing0.97Å0.95Å
C5DO5Dsing1.43Å1.43Å
C5DH5'1sing1.09Å1.10Å
C5DH5'2sing1.09Å1.10Å
O5DPAsing1.61Å1.58Å
PAO1Adoub1.48Å1.47Å
PAO2Asing1.61Å1.48Å
PAO3Asing1.61Å1.59Å
O2AHOA2sing0.97Å0.95Å
O3APBsing1.61Å1.61Å
PBO1Bdoub1.48Å1.47Å
PBO2Bsing1.61Å1.47Å
PBO3Bsing1.61Å1.61Å
O2BHOB2sing0.97Å0.95Å
O3BC1'sing1.43Å1.39Å
C1'C2'sing1.53Å1.52Å
C1'O5'sing1.43Å1.43Å
C1'H1'sing1.09Å1.10Å
C2'C3'sing1.53Å1.54Å
C2'O2'sing1.43Å1.42Å
C2'H2'sing1.09Å1.10Å
C3'C4'sing1.53Å1.53Å
C3'O3'sing1.43Å1.42Å
C3'H3'sing1.09Å1.10Å
C4'C5'sing1.53Å1.54Å
C4'O4'sing1.43Å1.43Å
C4'H4'sing1.09Å1.10Å
C5'C6'sing1.53Å1.51Å
C5'O5'sing1.43Å1.45Å
C5'H5'sing1.09Å1.10Å
C6'Ssing1.81Å1.81Å
C6'H6'1sing1.09Å1.10Å
C6'H6'2sing1.09Å1.10Å
O2'HO2Asing0.97Å0.95Å
O3'HO3Asing0.97Å0.95Å
O4'HO4'sing0.97Å0.95Å
SO1Sdoub1.42Å1.44Å
SO2Ssing1.52Å1.47Å
SO3Sdoub1.42Å1.44Å
O2SHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6121.1°120.7°
C2N1C1D118.6°119.7°
N1C2N3113.9°120.9°
N1C2O2125.5°119.5°
C6N1C1D120.3°119.6°
N1C6C5124.4°119.6°
N1C6H6117.8°120.2°
N1C1DC2D115.5°110.7°
N1C1DO4D108.4°110.6°
N1C1DH1D105.1°110.5°
N3C2O2120.6°119.5°
C2N3C4127.2°120.3°
C2N3HN3116.4°119.9°
C4N3HN3116.4°119.8°
N3C4C5115.6°119.4°
N3C4O4121.4°120.3°
C5C4O4123.0°120.3°
C4C5C6117.8°119.1°
C4C5H5121.1°120.5°
C6C5H5121.1°120.4°
C5C6H6117.8°120.2°
C2DC1DO4D106.5°103.5°
C2DC1DH1D107.2°110.6°
C1DC2DO2D117.4°110.9°
C1DC2DC3D99.2°102.1°
C1DC2DH2D112.8°110.9°
O4DC1DH1D114.4°110.6°
C1DO4DC4D111.3°106.9°
O2DC2DC3D113.3°110.9°
O2DC2DH2D98.4°110.8°
C2DO2DHO2'109.5°106.8°
C3DC2DH2D116.9°111.0°
C2DC3DC4D107.7°104.0°
C2DC3DO3D108.6°110.5°
C2DC3DH3D111.6°110.5°
C4DC3DO3D110.6°110.8°
C4DC3DH3D109.6°110.5°
C3DC4DO4D103.4°107.4°
C3DC4DC5D114.9°109.9°
C3DC4DH4D109.8°109.9°
O3DC3DH3D108.8°110.4°
C3DO3DHO3'109.5°106.8°
O4DC4DC5D108.6°109.9°
O4DC4DH4D115.9°109.9°
C5DC4DH4D104.7°109.9°
C4DC5DO5D108.7°109.5°
C4DC5DH5'1109.9°109.5°
C4DC5DH5'2109.7°109.5°
O5DC5DH5'1109.9°109.4°
O5DC5DH5'2109.7°109.5°
C5DO5DPA124.5°106.8°
H5'1C5DH5'2108.9°109.4°
O5DPAO1A107.8°109.5°
O5DPAO2A110.0°109.5°
O5DPAO3A100.2°109.5°
O1APAO2A122.2°109.5°
O1APAO3A107.4°109.5°
O2APAO3A107.0°109.5°
PAO2AHOA2109.5°106.8°
PAO3APB136.6°106.8°
O3APBO1B109.0°109.5°
O3APBO2B111.0°109.4°
O3APBO3B100.6°109.4°
O1BPBO2B119.3°109.5°
O1BPBO3B101.6°109.5°
O2BPBO3B113.5°109.5°
PBO2BHOB2109.5°106.8°
PBO3BC1'128.4°106.8°
O3BC1'C2'110.0°109.2°
O3BC1'O5'109.3°109.4°
O3BC1'H1'109.2°109.4°
C2'C1'O5'109.4°110.0°
C2'C1'H1'109.1°109.3°
C1'C2'C3'108.9°108.9°
C1'C2'O2'108.7°109.6°
C1'C2'H2'110.6°109.6°
O5'C1'H1'109.8°109.4°
C1'O5'C5'113.6°107.6°
C3'C2'O2'110.0°109.8°
C3'C2'H2'109.2°109.4°
C2'C3'C4'108.6°108.8°
C2'C3'O3'109.7°109.6°
C2'C3'H3'110.0°109.6°
O2'C2'H2'109.5°109.6°
C2'O2'HO2A109.5°106.8°
C4'C3'O3'109.7°109.6°
C4'C3'H3'110.0°109.6°
C3'C4'C5'108.1°109.0°
C3'C4'O4'110.1°109.5°
C3'C4'H4'110.1°109.6°
O3'C3'H3'108.9°109.6°
C3'O3'HO3A109.5°106.8°
C5'C4'O4'110.0°109.6°
C5'C4'H4'110.3°109.6°
C4'C5'C6'107.7°109.4°
C4'C5'O5'109.5°109.8°
C4'C5'H5'109.1°109.4°
O4'C4'H4'108.3°109.5°
C4'O4'HO4'109.5°106.8°
C6'C5'O5'104.5°109.4°
C6'C5'H5'113.7°109.4°
C5'C6'S106.3°109.4°
C5'C6'H6'1111.2°109.5°
C5'C6'H6'2110.5°109.5°
O5'C5'H5'112.1°109.4°
SC6'H6'1111.2°109.4°
SC6'H6'2110.5°109.5°
C6'SO1S115.4°111.6°
C6'SO2S100.6°103.1°
C6'SO3S103.8°111.6°
H6'1C6'H6'2107.1°109.6°
O1SSO2S113.4°102.8°
O1SSO3S109.2°122.1°
O2SSO3S113.9°102.8°
SO2SHXT109.5°106.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1C6C1D178.8°179.7°
N1C2N3O2179.7°179.4°
N1C2N3C40.1°0.5°
N1C2N3HN3179.9°179.8°
C2N1C6C51.0°0.3°
C2N1C6H6178.9°179.8°
C2N1C1DC2D124.0°60.9°
C2N1C1DO4D116.7°53.3°
C2N1C1DH1D6.1°176.1°
C6N1C2N30.8°0.5°
C6N1C2O2179.6°180.0°
N1C6C5C40.6°0.0°
N1C6C5H6180.0°180.0°
N1C6C5H5179.4°180.0°
C6N1C1DC2D57.2°119.4°
C6N1C1DO4D62.2°126.4°
C6N1C1DH1D175.0°3.6°
C1DN1C2N3179.6°179.8°
C1DN1C2O20.7°0.3°
C1DN1C6C5179.8°180.0°
C1DN1C6H60.1°0.1°
N1C1DC2DO4D120.4°118.6°
N1C1DC2DH1D116.7°122.9°
N1C1DO4DH1D117.0°122.8°
N1C1DC2DO2D85.4°86.2°
N1C1DC2DC3D152.2°155.7°
N1C1DC2DH2D27.9°37.4°
N1C1DO4DC4D144.6°158.7°
C2N3C4HN3180.0°179.7°
C2N3C4C50.3°0.3°
C2N3C4O4179.3°179.7°
O2C2N3C4179.8°180.0°
O2C2N3HN30.2°0.3°
N3C4C5O4179.6°180.0°
N3C4C5C60.1°0.0°
N3C4C5H5179.9°180.0°
HN3N3C4C5179.7°180.0°
HN3N3C4O40.7°0.0°
C4C5C6H5180.0°180.0°
C4C5C6H6179.4°180.0°
O4C4C5C6179.5°180.0°
O4C4C5H50.5°0.0°
H5C5C6H60.6°0.0°
C2DC1DO4DH1D118.2°118.6°
C1DC2DO2DC3D114.7°112.7°
C1DC2DO2DH2D121.1°123.6°
C1DC2DC3DH2D121.4°118.2°
C1DC2DO2DHO2'67.6°180.0°
C1DC2DC3DC4D33.6°21.0°
C1DC2DC3DO3D86.2°97.9°
C1DC2DC3DH3D153.9°139.6°
C2DC1DO4DC4D19.8°40.0°
O4DC1DC2DO2D154.2°155.2°
O4DC1DC2DC3D31.8°37.1°
O4DC1DC2DH2D92.5°81.2°
C1DO4DC4DC3D1.9°26.4°
C1DO4DC4DC5D120.5°145.9°
C1DO4DC4DH4D122.1°93.1°
H1DC1DC2DO2D31.3°36.7°
H1DC1DC2DC3D91.0°81.4°
H1DC1DC2DH2D144.7°160.3°
H1DC1DO4DC4D98.4°78.5°
O2DC2DC3DH2D113.4°123.6°
O2DC2DC3DC4D158.8°139.2°
O2DC2DC3DO3D39.0°20.2°
O2DC2DC3DH3D80.9°102.2°
C3DC2DO2DHO2'47.2°67.4°
C2DC3DC4DO3D118.5°118.7°
C2DC3DC4DH3D121.6°118.6°
C2DC3DO3DH3D121.6°122.5°
C2DC3DC4DO4D23.2°1.9°
C2DC3DC4DC5D95.0°121.4°
C2DC3DC4DH4D147.4°117.6°
C2DC3DO3DHO3'122.7°61.4°
H2DC2DO2DHO2'171.3°56.3°
H2DC2DC3DC4D87.9°97.2°
H2DC2DC3DO3D152.4°143.8°
H2DC2DC3DH3D32.5°21.4°
C4DC3DO3DH3D120.5°122.8°
C3DC4DO4DC5D122.4°119.5°
C3DC4DO4DH4D120.2°119.5°
C3DC4DC5DH4D120.5°121.0°
C4DC3DO3DHO3'4.7°176.2°
C3DC4DC5DO5D46.4°175.3°
C3DC4DC5DH5'173.9°64.7°
C3DC4DC5DH5'2166.4°55.3°
O3DC3DC4DO4D95.3°120.6°
O3DC3DC4DC5D146.5°119.8°
O3DC3DC4DH4D28.9°1.1°
H3DC3DC4DO4D144.7°116.7°
H3DC3DC4DC5D26.6°2.9°
H3DC3DC4DH4D91.0°123.8°
H3DC3DO3DHO3'115.7°61.1°
O4DC4DC5DH4D124.4°121.0°
O4DC4DC5DO5D68.7°66.7°
O4DC4DC5DH5'1171.0°53.3°
O4DC4DC5DH5'251.2°173.3°
C4DC5DO5DH5'1120.3°120.0°
C4DC5DO5DH5'2120.0°120.1°
C4DC5DH5'1H5'2120.2°120.0°
C4DC5DO5DPA156.0°180.0°
H4DC4DC5DO5D166.9°54.3°
H4DC4DC5DH5'146.6°174.3°
H4DC4DC5DH5'273.2°65.7°
O5DC5DH5'1H5'2120.2°120.0°
C5DO5DPAO1A176.2°55.0°
C5DO5DPAO2A40.8°65.0°
C5DO5DPAO3A71.7°175.0°
H5'1C5DO5DPA83.7°60.0°
H5'2C5DO5DPA36.0°59.9°
O5DPAO1AO2A128.8°120.0°
O5DPAO1AO3A107.2°120.0°
O5DPAO2AO3A107.9°120.0°
O5DPAO2AHOA2160.8°60.0°
O5DPAO3APB63.5°165.0°
O1APAO2AO3A124.2°120.0°
O1APAO2AHOA232.9°180.0°
O1APAO3APB48.9°45.0°
O2APAO3APB178.2°75.0°
O3APAO2AHOA291.3°60.0°
PAO3APBO1B28.2°45.0°
PAO3APBO2B105.1°75.0°
PAO3APBO3B134.5°165.0°
O3APBO1BO2B128.8°120.0°
O3APBO1BO3B105.6°120.0°
O3APBO2BO3B112.4°119.9°
O3APBO2BHOB238.1°60.0°
O3APBO3BC1'32.8°175.0°
O1BPBO2BO3B119.7°120.1°
O1BPBO2BHOB289.8°180.0°
O1BPBO3BC1'144.8°55.0°
O2BPBO3BC1'85.8°65.1°
O3BPBO2BHOB2150.5°59.9°
PBO3BC1'C2'175.4°149.6°
PBO3BC1'O5'64.5°90.0°
PBO3BC1'H1'55.7°29.9°
O3BC1'C2'O5'120.1°120.1°
O3BC1'C2'H1'119.8°119.7°
O3BC1'O5'H1'119.8°119.9°
O3BC1'C2'C3'60.9°59.1°
O3BC1'C2'O2'58.9°61.1°
O3BC1'C2'H2'179.1°178.7°
O3BC1'O5'C5'59.7°52.5°
C2'C1'O5'H1'119.7°120.1°
C1'C2'C3'O2'119.0°120.0°
C1'C2'C3'H2'120.8°119.7°
C1'C2'O2'H2'120.9°120.2°
C1'C2'C3'C4'59.5°53.5°
C1'C2'C3'O3'179.3°173.3°
C1'C2'C3'H3'60.9°66.3°
C2'C1'O5'C5'60.8°67.5°
C1'C2'O2'HO2A157.3°60.0°
O5'C1'C2'C3'59.1°61.0°
O5'C1'C2'O2'178.9°178.8°
O5'C1'C2'H2'60.9°58.5°
C1'O5'C5'C4'60.6°67.6°
C1'O5'C5'C6'175.7°172.3°
C1'O5'C5'H5'60.6°52.5°
H1'C1'C2'C3'179.3°178.8°
H1'C1'C2'O2'60.9°58.6°
H1'C1'C2'H2'59.2°61.6°
H1'C1'O5'C5'179.4°172.3°
C3'C2'O2'H2'120.0°120.1°
C2'C3'C4'O3'119.8°119.8°
C2'C3'C4'H3'120.4°119.8°
C2'C3'O3'H3'120.4°120.4°
C2'C3'C4'C5'58.8°53.7°
C2'C3'C4'O4'179.0°173.6°
C2'C3'C4'H4'61.7°66.2°
C3'C2'O2'HO2A38.2°179.6°
C2'C3'O3'HO3A143.3°60.4°
O2'C2'C3'C4'178.5°173.5°
O2'C2'C3'O3'61.7°66.7°
O2'C2'C3'H3'58.1°53.7°
H2'C2'C3'C4'61.3°66.2°
H2'C2'C3'O3'58.5°53.6°
H2'C2'C3'H3'178.3°173.9°
H2'C2'O2'HO2A81.9°60.2°
C4'C3'O3'H3'120.5°120.3°
C3'C4'C5'O4'120.3°119.9°
C3'C4'C5'H4'120.4°119.9°
C3'C4'O4'H4'120.4°120.2°
C3'C4'C5'C6'171.2°178.7°
C3'C4'C5'O5'58.1°61.3°
C3'C4'C5'H5'64.9°58.8°
C4'C3'O3'HO3A24.1°179.7°
C3'C4'O4'HO4'148.0°60.0°
O3'C3'C4'C5'178.6°173.5°
O3'C3'C4'O4'61.2°66.6°
O3'C3'C4'H4'58.1°53.5°
H3'C3'C4'C5'61.6°66.2°
H3'C3'C4'O4'58.6°53.8°
H3'C3'C4'H4'177.9°173.9°
H3'C3'O3'HO3A96.3°60.0°
C5'C4'O4'H4'120.5°120.2°
C4'C5'C6'O5'116.4°120.3°
C4'C5'C6'H5'121.1°119.9°
C4'C5'O5'H5'121.2°120.1°
C4'C5'C6'S114.7°175.0°
C4'C5'C6'H6'1124.2°55.1°
C4'C5'C6'H6'25.3°65.0°
C5'C4'O4'HO4'29.0°179.6°
O4'C4'C5'C6'68.6°58.8°
O4'C4'C5'O5'178.4°178.9°
O4'C4'C5'H5'55.4°61.1°
H4'C4'C5'C6'50.8°61.4°
H4'C4'C5'O5'62.3°58.6°
H4'C4'C5'H5'174.7°178.7°
H4'C4'O4'HO4'91.6°60.2°
C6'C5'O5'H5'123.6°119.8°
C5'C6'SH6'1121.2°119.9°
C5'C6'SH6'2120.0°120.0°
C5'C6'H6'1H6'2120.9°120.0°
C5'C6'SO1S32.9°70.3°
C5'C6'SO2S89.5°180.0°
C5'C6'SO3S152.4°70.3°
O5'C5'C6'S129.0°64.7°
O5'C5'C6'H6'17.8°175.4°
O5'C5'C6'H6'2111.0°55.3°
H5'C5'C6'S6.4°55.1°
H5'C5'C6'H6'1114.8°64.8°
H5'C5'C6'H6'2126.4°175.1°
SC6'H6'1H6'2120.8°120.1°
C6'SO1SO2S115.4°110.0°
C6'SO1SO3S116.5°135.8°
C6'SO2SO3S110.4°116.2°
C6'SO2SHXT131.2°180.0°
H6'1C6'SO1S88.3°169.8°
H6'1C6'SO2S149.3°60.0°
H6'1C6'SO3S31.2°49.7°
H6'2C6'SO1S152.9°49.7°
H6'2C6'SO2S30.5°60.0°
H6'2C6'SO3S87.6°169.7°
O1SSO2SO3S125.7°127.6°
O1SSO2SHXT104.9°63.8°
O3SSO2SHXT20.8°63.8°

220472

PDB entries from 2024-05-29

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