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THY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2BPBsing1.61Å1.61Å
O2BH2Bsing0.97Å0.95Å
PBO3Bsing1.61Å1.54Å
PBO1Bdoub1.48Å1.48Å
PBO3Asing1.61Å1.66Å
O3BH3Bsing0.97Å0.95Å
O3APAsing1.61Å1.60Å
PAO1Adoub1.48Å1.49Å
PAO2Asing1.61Å1.49Å
PAO5Gsing1.61Å1.60Å
O2AH3Asing0.97Å0.95Å
O5GC5Bsing1.43Å1.44Å
C5BC5Asing1.53Å1.54Å
C5BH5B1sing1.09Å1.10Å
C5BH5B2sing1.09Å1.10Å
C5AC5sing1.51Å1.53Å
C5AH5A1sing1.09Å1.10Å
C5AH5A2sing1.09Å1.10Å
C5C4doub1.31Å1.40ÅAromatic
C5S1sing1.76Å1.71ÅAromatic
C4C4Asing1.51Å1.55Å
C4N3sing1.37Å1.37ÅAromatic
C4AH4A1sing1.09Å1.10Å
C4AH4A2sing1.09Å1.10Å
C4AH4A3sing1.09Å1.10Å
S1C2sing1.76Å1.74ÅAromatic
C2C8sing1.34Å1.48Å
C2N3doub1.37Å1.37ÅAromatic
C8O9sing1.36Å1.26Å
C8C9sing1.51Å1.54Å
O9H9sing0.97Å0.95Å
C9C11sing1.53Å1.54Å
C9C10sing1.53Å1.53Å
C9HAsing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C11H113sing1.09Å1.10Å
C10C12sing1.53Å1.54Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C12H123sing1.09Å1.10Å
N3C35sing1.47Å1.46Å
C35C5'sing1.51Å1.59Å
C35H351sing1.09Å1.10Å
C35H352sing1.09Å1.10Å
C5'C6'doub1.38Å1.42ÅAromatic
C5'C4'sing1.40Å1.43ÅAromatic
C6'N1'sing1.32Å1.35ÅAromatic
C6'H6'sing1.08Å1.08Å
N1'C2'doub1.32Å1.36ÅAromatic
C2'C2Asing1.51Å1.54Å
C2'N3'sing1.32Å1.38ÅAromatic
C2AH2A1sing1.09Å1.10Å
C2AH2A2sing1.09Å1.10Å
C2AH2A3sing1.09Å1.10Å
N3'C4'doub1.33Å1.42ÅAromatic
C4'N4'sing1.39Å1.34Å
N4'H4'1sing0.97Å1.00Å
N4'H4'2sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
PBO2BH2B109.5°114.0°
O2BPBO3B118.4°109.4°
O2BPBO1B110.4°109.5°
O2BPBO3A107.8°109.5°
O3BPBO1B109.9°109.5°
O3BPBO3A105.9°109.5°
PBO3BH3B109.5°114.0°
O1BPBO3A103.2°109.5°
PBO3APA131.1°134.0°
O3APAO1A104.4°109.5°
O3APAO2A108.8°109.5°
O3APAO5G103.9°109.5°
O1APAO2A119.1°109.5°
O1APAO5G114.7°109.5°
O2APAO5G104.9°109.4°
PAO2AH3A109.5°114.1°
PAO5GC5B118.6°123.0°
O5GC5BC5A106.4°109.5°
O5GC5BH5B1111.2°109.4°
O5GC5BH5B2110.5°109.5°
C5AC5BH5B1111.2°109.5°
C5AC5BH5B2110.5°109.5°
C5BC5AC5110.5°109.5°
C5BC5AH5A1108.9°109.5°
C5BC5AH5A2109.1°109.5°
H5B1C5BH5B2107.1°109.5°
C5C5AH5A1108.9°109.5°
C5C5AH5A2109.1°109.5°
C5AC5C4130.5°124.9°
C5AC5S1122.2°124.9°
H5A1C5AH5A2110.3°109.5°
C4C5S1107.2°110.3°
C5C4C4A120.9°122.0°
C5C4N3114.6°116.1°
C5S1C295.3°90.8°
C4AC4N3124.4°122.0°
C4C4AH4A1109.5°109.5°
C4C4AH4A2109.5°109.5°
C4C4AH4A3109.5°109.5°
C4N3C2115.6°114.1°
C4N3C35121.9°122.9°
H4A1C4AH4A2109.5°109.4°
H4A1C4AH4A3109.5°109.4°
H4A2C4AH4A3109.4°109.5°
S1C2C8125.7°125.6°
S1C2N3107.3°108.7°
C8C2N3127.0°125.7°
C2C8O9122.1°120.0°
C2C8C9118.4°120.0°
C2N3C35122.4°122.9°
O9C8C9119.0°120.0°
C8O9H9109.5°114.0°
C8C9C11105.5°109.5°
C8C9C10114.8°109.5°
C8C9HA108.9°109.4°
C11C9C10110.3°109.5°
C11C9HA113.6°109.4°
C9C11H111109.5°109.5°
C9C11H112109.5°109.5°
C9C11H113109.5°109.5°
C10C9HA104.0°109.5°
C9C10C12105.8°109.5°
C9C10H101111.5°109.4°
C9C10H102110.7°109.5°
H111C11H112109.5°109.5°
H111C11H113109.5°109.4°
H112C11H113109.5°109.5°
C12C10H101111.5°109.5°
C12C10H102110.7°109.5°
C10C12H121109.5°109.4°
C10C12H122109.4°109.5°
C10C12H123109.5°109.5°
H101C10H102106.6°109.5°
H121C12H122109.5°109.4°
H121C12H123109.5°109.5°
H122C12H123109.5°109.5°
N3C35C5'108.6°109.5°
N3C35H351110.0°109.5°
N3C35H352109.8°109.5°
C5'C35H351110.0°109.5°
C5'C35H352109.8°109.5°
C35C5'C6'120.3°120.9°
C35C5'C4'124.0°120.9°
H351C35H352108.8°109.5°
C6'C5'C4'115.7°118.3°
C5'C6'N1'119.5°119.2°
C5'C6'H6'120.2°120.3°
C5'C4'N3'122.6°119.0°
C5'C4'N4'124.1°120.5°
N1'C6'H6'120.3°120.4°
C6'N1'C2'125.0°121.0°
N1'C2'C2A122.4°119.1°
N1'C2'N3'119.5°121.9°
C2AC2'N3'118.1°119.1°
C2'C2AH2A1109.5°109.5°
C2'C2AH2A2109.4°109.5°
C2'C2AH2A3109.5°109.4°
C2'N3'C4'117.7°120.7°
H2A1C2AH2A2109.5°109.4°
H2A1C2AH2A3109.4°109.5°
H2A2C2AH2A3109.4°109.5°
N3'C4'N4'113.2°120.5°
C4'N4'H4'1109.5°120.0°
C4'N4'H4'2109.5°120.0°
H4'1N4'H4'2109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2BPBO3BO1B128.1°120.0°
O2BPBO3BO3A121.0°120.0°
O2BPBO1BO3A115.0°120.0°
O2BPBO3BH3B144.1°60.0°
O2BPBO3APA92.5°160.0°
H2BO2BPBO3B50.4°60.1°
H2BO2BPBO1B77.5°59.9°
H2BO2BPBO3A170.4°179.9°
O3BPBO1BO3A112.6°120.0°
O3BPBO3APA35.2°80.0°
O1BPBO3BH3B87.8°180.0°
O1BPBO3APA150.6°40.0°
O3APBO3BH3B23.1°60.0°
PBO3APAO1A178.6°40.0°
PBO3APAO2A50.4°80.0°
PBO3APAO5G60.9°160.0°
O3APAO1AO2A121.6°120.0°
O3APAO1AO5G113.0°120.0°
O3APAO2AO5G110.7°120.0°
O3APAO2AH3A127.6°60.0°
O3APAO5GC5B77.5°175.0°
O1APAO2AO5G130.0°120.0°
O1APAO2AH3A8.2°180.0°
O1APAO5GC5B35.8°55.0°
O2APAO5GC5B168.4°65.0°
O5GPAO2AH3A121.7°60.0°
PAO5GC5BC5A170.2°180.0°
PAO5GC5BH5B168.6°60.0°
PAO5GC5BH5B250.2°60.0°
O5GC5BC5AH5B1121.2°120.0°
O5GC5BC5AH5B2120.0°120.0°
O5GC5BH5B1H5B2120.8°120.0°
O5GC5BC5AC5173.7°180.0°
O5GC5BC5AH5A154.1°60.0°
O5GC5BC5AH5A266.3°60.0°
C5AC5BH5B1H5B2120.8°120.1°
C5BC5AC5H5A1119.5°120.0°
C5BC5AC5H5A2120.0°120.0°
C5BC5AH5A1H5A2119.7°120.0°
C5BC5AC5C4114.8°90.0°
C5BC5AC5S168.9°90.3°
H5B1C5BC5AC565.1°60.0°
H5B1C5BC5AH5A1175.3°180.0°
H5B1C5BC5AH5A254.9°60.0°
H5B2C5BC5AC553.7°60.0°
H5B2C5BC5AH5A165.9°60.0°
H5B2C5BC5AH5A2173.7°NaN°
C5C5AH5A1H5A2119.7°120.0°
C5AC5C4S1176.7°179.7°
C5AC5C4C4A2.7°0.0°
C5AC5C4N3177.2°180.0°
C5AC5S1C2177.0°180.0°
H5A1C5AC5C4125.7°30.0°
H5A1C5AC5S150.6°149.7°
H5A2C5AC5C45.2°150.0°
H5A2C5AC5S1171.1°29.7°
C5C4C4AN3179.8°180.0°
C5C4C4AH4A138.1°90.0°
C5C4C4AH4A2158.1°150.0°
C5C4C4AH4A381.9°30.0°
C4C5S1C20.0°0.3°
C5C4N3C20.8°0.1°
C5C4N3C35175.3°180.0°
S1C5C4C4A179.4°179.7°
S1C5C4N30.4°0.3°
C5S1C2C8176.8°180.0°
C5S1C2N30.5°0.2°
C4C4AH4A1H4A2120.0°120.0°
C4C4AH4A1H4A3120.0°120.0°
C4C4AH4A2H4A3120.0°120.0°
C4AC4N3C2178.9°179.9°
C4AC4N3C354.9°0.0°
N3C4C4AH4A1142.1°90.0°
N3C4C4AH4A222.1°29.9°
N3C4C4AH4A397.9°150.0°
C4N3C2S10.8°0.1°
C4N3C2C8176.4°179.9°
C4N3C2C35176.1°179.9°
C4N3C35C5'76.8°81.9°
C4N3C35H351162.9°158.1°
C4N3C35H35243.2°38.1°
H4A1C4AH4A2H4A3120.0°120.0°
S1C2C8N3176.7°179.8°
S1C2C8O9177.5°137.7°
S1C2C8C95.1°42.3°
S1C2N3C35175.3°179.8°
C2C8O9C9172.4°180.0°
C2C8O9H9120.9°173.8°
C2C8C9C1192.7°60.0°
C2C8C9C10145.6°180.0°
C2C8C9HA29.5°60.0°
C8C2N3C357.5°0.0°
N3C2C8O95.7°42.5°
N3C2C8C9178.2°137.5°
C2N3C35C5'99.1°98.0°
C2N3C35H35121.2°22.0°
C2N3C35H352140.9°142.0°
O9C8C9C1180.0°120.0°
O9C8C9C1041.7°0.0°
O9C8C9HA157.8°120.0°
C9C8O9H966.7°6.2°
C8C9C11C10124.6°120.0°
C8C9C11HA119.2°119.9°
C8C9C10HA118.9°120.0°
C8C9C11H111125.5°60.0°
C8C9C11H112114.5°180.0°
C8C9C11H1135.5°60.0°
C8C9C10C12166.8°175.0°
C8C9C10H10171.8°65.0°
C8C9C10H10246.8°55.0°
C11C9C10HA122.1°120.0°
C9C11H111H112120.0°120.0°
C9C11H111H113120.0°120.0°
C9C11H112H113120.0°120.0°
C11C9C10C1247.8°65.0°
C11C9C10H101169.2°55.0°
C11C9C10H10272.2°175.0°
C10C9C11H111110.0°60.0°
C10C9C11H11210.0°60.0°
C10C9C11H113130.1°180.0°
C9C10C12H101121.4°120.0°
C9C10C12H102120.0°120.0°
C9C10H101H102121.0°120.0°
C9C10C12H12167.1°180.0°
C9C10C12H122172.9°60.0°
C9C10C12H12352.9°60.0°
HAC9C11H1116.3°180.0°
HAC9C11H112126.3°60.0°
HAC9C11H113113.7°60.0°
HAC9C10C1274.3°55.0°
HAC9C10H10147.1°175.0°
HAC9C10H102165.6°65.0°
H111C11H112H113120.0°120.0°
C12C10H101H102121.0°120.0°
C10C12H121H122120.0°120.0°
C10C12H121H123120.0°120.0°
C10C12H122H123120.0°120.1°
H101C10C12H12154.3°60.1°
H101C10C12H12265.7°NaN°
H101C10C12H123174.3°59.9°
H102C10C12H121172.9°60.0°
H102C10C12H12252.9°60.0°
H102C10C12H12367.1°180.0°
H121C12H122H123120.0°120.0°
N3C35C5'H351120.3°120.0°
N3C35C5'H352120.0°120.0°
N3C35H351H352120.2°120.0°
N3C35C5'C6'116.4°102.1°
N3C35C5'C4'66.1°77.6°
C5'C35H351H352120.3°120.0°
C35C5'C6'C4'177.7°179.7°
C35C5'C6'N1'176.0°180.0°
C35C5'C6'H6'4.0°0.0°
C35C5'C4'N3'177.8°179.8°
C35C5'C4'N4'0.5°0.0°
H351C35C5'C6'123.2°137.8°
H351C35C5'C4'54.3°42.5°
H352C35C5'C6'3.6°17.9°
H352C35C5'C4'173.9°162.4°
C5'C6'N1'H6'180.0°180.0°
C5'C6'N1'C2'3.0°0.0°
C6'C5'C4'N3'0.1°0.5°
C6'C5'C4'N4'177.1°179.7°
C4'C5'C6'N1'1.7°0.3°
C4'C5'C6'H6'178.3°179.7°
C5'C4'N3'C2'0.9°0.4°
C5'C4'N3'N4'177.5°179.8°
C5'C4'N4'H4'161.3°9.3°
C5'C4'N4'H4'2178.7°170.7°
C6'N1'C2'C2A179.0°180.0°
C6'N1'C2'N3'2.2°0.0°
H6'C6'N1'C2'177.0°180.0°
N1'C2'C2AN3'178.8°179.9°
N1'C2'C2AH2A1115.2°90.0°
N1'C2'C2AH2A2124.8°150.0°
N1'C2'C2AH2A34.8°30.0°
N1'C2'N3'C4'0.2°0.2°
C2'C2AH2A1H2A2120.0°120.0°
C2'C2AH2A1H2A3120.0°120.0°
C2'C2AH2A2H2A3120.0°120.0°
C2AC2'N3'C4'179.0°179.8°
N3'C2'C2AH2A166.0°89.9°
N3'C2'C2AH2A254.0°30.0°
N3'C2'C2AH2A3174.0°150.1°
C2'N3'C4'N4'176.7°179.8°
H2A1C2AH2A2H2A3120.0°120.0°
N3'C4'N4'H4'1116.2°170.5°
N3'C4'N4'H4'23.8°9.5°
C4'N4'H4'1H4'2120.0°179.9°

246704

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