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TDK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2BPBsing1.61Å1.51Å
O2BH2Bsing0.97Å0.95Å
PBO3Bsing1.61Å1.51Å
PBO1Bdoub1.48Å1.52Å
PBO3Asing1.61Å1.62Å
O3BH3Bsing0.97Å0.95Å
O3APAsing1.61Å1.62Å
PAO1Adoub1.48Å1.50Å
PAO2Asing1.61Å1.51Å
PAO7sing1.61Å1.61Å
O2AH2Asing0.97Å0.95Å
O7C7sing1.43Å1.44Å
C7C6sing1.53Å1.52Å
C7H71sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C6C5sing1.51Å1.53Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C5S1sing1.76Å1.73ÅAromatic
C5C4doub1.34Å1.40ÅAromatic
S1C2sing1.71Å1.74ÅAromatic
C4CM4sing1.51Å1.52Å
C4N3sing1.32Å1.38ÅAromatic
CM4HM41sing1.09Å1.10Å
CM4HM42sing1.09Å1.10Å
CM4HM43sing1.09Å1.10Å
N3C2doub1.29Å1.37ÅAromatic
N3C7'sing1.47Å1.48Å
C2CMAsing1.51Å1.53Å
CMAOM1sing1.43Å1.43Å
CMACMBsing1.53Å1.53Å
CMAPCsing1.82Å1.86Å
OM1HM1sing0.97Å0.95Å
CMBHMB1sing1.09Å1.10Å
CMBHMB2sing1.09Å1.10Å
CMBHMB3sing1.09Å1.10Å
PCOM3sing1.61Å1.51Å
PCOM2sing1.61Å1.63Å
PCOM4doub1.48Å1.51Å
OM3HM3sing0.97Å0.95Å
OM2CMCsing1.43Å1.43Å
CMCHMC1sing1.09Å1.10Å
CMCHMC2sing1.09Å1.10Å
CMCHMC3sing1.09Å1.10Å
C7'C5'sing1.51Å1.55Å
C7'H7'1sing1.09Å1.10Å
C7'H7'2sing1.09Å1.10Å
C5'C6'doub1.38Å1.41ÅAromatic
C5'C4'sing1.40Å1.41ÅAromatic
C6'N1'sing1.33Å1.35ÅAromatic
C6'H6'sing1.08Å1.08Å
N1'C2'doub1.32Å1.35ÅAromatic
C2'CM2sing1.51Å1.51Å
C2'N3'sing1.32Å1.35ÅAromatic
CM2HM21sing1.09Å1.10Å
CM2HM22sing1.09Å1.10Å
CM2HM23sing1.09Å1.10Å
N3'C4'doub1.33Å1.38ÅAromatic
C4'N4'sing1.39Å1.35Å
N4'H4'1sing0.97Å1.00Å
N4'H4'2sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
PBO2BH2B109.5°114.0°
O2BPBO3B112.5°109.5°
O2BPBO1B113.7°109.5°
O2BPBO3A100.4°109.5°
O3BPBO1B113.8°109.4°
O3BPBO3A107.5°109.5°
PBO3BH3B109.5°114.0°
O1BPBO3A107.7°109.5°
PBO3APA129.4°134.0°
O3APAO1A110.4°109.5°
O3APAO2A107.7°109.5°
O3APAO7104.0°109.5°
O1APAO2A117.7°109.5°
O1APAO7106.9°109.5°
O2APAO7109.2°109.5°
PAO2AH2A109.5°114.0°
PAO7C7121.6°123.0°
O7C7C6105.6°109.5°
O7C7H71111.6°109.5°
O7C7H72110.8°109.5°
C6C7H71111.6°109.5°
C6C7H72110.8°109.4°
C7C6C5118.7°109.5°
C7C6H61104.4°109.5°
C7C6H62106.5°109.4°
H71C7H72106.5°109.5°
C5C6H61104.3°109.5°
C5C6H62106.5°109.4°
C6C5S1118.8°126.1°
C6C5C4132.5°126.0°
H61C6H62117.0°109.4°
S1C5C4108.7°107.9°
C5S1C292.5°90.3°
C5C4CM4119.9°122.7°
C5C4N3115.2°114.5°
S1C2N3110.7°110.2°
S1C2CMA124.5°124.9°
CM4C4N3124.9°122.8°
C4CM4HM41109.4°109.5°
C4CM4HM42109.5°109.5°
C4CM4HM43109.5°109.4°
C4N3C2112.9°117.1°
C4N3C7'121.6°121.4°
HM41CM4HM42109.5°109.5°
HM41CM4HM43109.5°109.4°
HM42CM4HM43109.5°109.5°
C2N3C7'125.4°121.5°
N3C2CMA124.7°124.9°
N3C7'C5'108.4°109.5°
N3C7'H7'1110.0°109.4°
N3C7'H7'2109.8°109.5°
C2CMAOM1112.7°109.5°
C2CMACMB112.0°109.5°
C2CMAPC108.8°109.5°
OM1CMACMB108.8°109.4°
OM1CMAPC106.5°109.5°
CMAOM1HM1109.5°114.0°
CMBCMAPC107.8°109.5°
CMACMBHMB1109.5°109.5°
CMACMBHMB2109.4°109.5°
CMACMBHMB3109.5°109.5°
CMAPCOM3110.9°109.5°
CMAPCOM2107.9°109.5°
CMAPCOM4111.8°109.5°
HMB1CMBHMB2109.5°109.5°
HMB1CMBHMB3109.5°109.5°
HMB2CMBHMB3109.5°109.4°
OM3PCOM2103.0°109.4°
OM3PCOM4115.0°109.5°
PCOM3HM3109.5°114.0°
OM2PCOM4107.5°109.5°
PCOM2CMC119.3°123.0°
OM2CMCHMC1109.5°109.5°
OM2CMCHMC2109.5°109.5°
OM2CMCHMC3109.5°109.5°
HMC1CMCHMC2109.5°109.4°
HMC1CMCHMC3109.5°109.5°
HMC2CMCHMC3109.5°109.5°
C5'C7'H7'1110.1°109.5°
C5'C7'H7'2109.8°109.5°
C7'C5'C6'120.1°120.8°
C7'C5'C4'124.1°120.8°
H7'1C7'H7'2108.7°109.5°
C6'C5'C4'115.8°118.3°
C5'C6'N1'121.4°119.2°
C5'C6'H6'119.3°120.4°
C5'C4'N3'121.1°119.0°
C5'C4'N4'122.6°120.5°
N1'C6'H6'119.3°120.4°
C6'N1'C2'120.8°121.0°
N1'C2'CM2119.5°119.1°
N1'C2'N3'120.8°121.8°
CM2C2'N3'119.7°119.1°
C2'CM2HM21109.5°109.4°
C2'CM2HM22109.5°109.4°
C2'CM2HM23109.5°109.5°
C2'N3'C4'120.1°120.6°
HM21CM2HM22109.5°109.5°
HM21CM2HM23109.4°109.5°
HM22CM2HM23109.5°109.5°
N3'C4'N4'116.3°120.5°
C4'N4'H4'1125.4°120.0°
C4'N4'H4'2109.2°119.9°
H4'1N4'H4'2125.4°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2BPBO3BO1B131.2°120.0°
O2BPBO3BO3A109.6°120.0°
O2BPBO1BO3A110.4°120.0°
O2BPBO3BH3B170.2°59.9°
O2BPBO3APA134.4°75.0°
H2BO2BPBO3B2.2°60.0°
H2BO2BPBO1B129.0°180.0°
H2BO2BPBO3A116.3°60.0°
O3BPBO1BO3A119.0°120.0°
O3BPBO3APA16.6°165.0°
O1BPBO3BH3B39.0°60.0°
O1BPBO3APA106.3°45.0°
O3APBO3BH3B80.2°180.0°
PBO3APAO1A37.3°45.0°
PBO3APAO2A167.1°75.0°
PBO3APAO777.1°165.0°
O3APAO1AO2A124.2°120.0°
O3APAO1AO7112.5°120.0°
O3APAO2AO7112.4°120.0°
O3APAO2AH2A1.7°60.0°
O3APAO7C770.0°175.0°
O1APAO2AO7122.1°120.0°
O1APAO2AH2A127.3°179.9°
O1APAO7C7173.2°55.0°
O2APAO7C744.8°65.0°
O7PAO2AH2A110.6°60.0°
PAO7C7C6164.8°180.0°
PAO7C7H7173.7°60.0°
PAO7C7H7244.8°60.0°
O7C7C6H71121.5°120.0°
O7C7C6H72120.0°120.0°
O7C7H71H72121.0°120.0°
O7C7C6C5164.6°180.0°
O7C7C6H6179.8°59.9°
O7C7C6H6244.6°60.0°
C6C7H71H72121.1°120.0°
C7C6C5H61115.6°120.1°
C7C6C5H62120.0°119.9°
C7C6H61H62117.4°120.0°
C7C6C5S172.9°89.9°
C7C6C5C4108.7°89.8°
H71C7C6C543.1°60.0°
H71C7C6H61158.7°180.0°
H71C7C6H6276.9°60.0°
H72C7C6C575.4°60.1°
H72C7C6H6140.2°60.0°
H72C7C6H62164.6°180.0°
C5C6H61H62117.4°119.9°
C6C5S1C4178.8°179.7°
C6C5S1C2177.6°180.0°
C6C5C4CM42.3°0.0°
C6C5C4N3177.6°179.9°
H61C6C5S142.7°150.0°
H61C6C5C4135.7°30.4°
H62C6C5S1167.2°30.0°
H62C6C5C411.3°150.3°
S1C5C4CM4179.1°179.8°
S1C5C4N30.9°0.2°
C5S1C2N31.2°0.2°
C5S1C2CMA175.3°180.0°
C4C5S1C21.1°0.2°
C5C4CM4N3180.0°180.0°
C5C4CM4HM41144.6°89.9°
C5C4CM4HM4224.6°150.0°
C5C4CM4HM4395.5°30.0°
C5C4N3C20.0°0.0°
C5C4N3C7'176.6°180.0°
S1C2N3C40.9°0.1°
S1C2N3CMA176.5°179.8°
S1C2N3C7'175.6°179.8°
S1C2CMAOM1142.9°133.4°
S1C2CMACMB19.8°106.7°
S1C2CMAPC99.3°13.3°
C4CM4HM41HM42120.0°120.0°
C4CM4HM41HM43120.0°120.0°
C4CM4HM42HM43120.0°120.0°
CM4C4N3C2180.0°179.9°
CM4C4N3C7'3.4°0.0°
N3C4CM4HM4135.4°90.1°
N3C4CM4HM42155.4°29.9°
N3C4CM4HM4384.6°149.9°
C4N3C2C7'176.4°179.9°
C4N3C2CMA175.6°180.0°
C4N3C7'C5'72.1°97.2°
C4N3C7'H7'1167.5°142.9°
C4N3C7'H7'248.0°22.8°
HM41CM4HM42HM43120.0°120.0°
N3C2CMAOM141.1°46.9°
N3C2CMACMB164.3°73.1°
N3C2CMAPC76.7°166.9°
C2N3C7'C5'104.1°82.9°
C2N3C7'H7'116.4°37.1°
C2N3C7'H7'2135.9°157.1°
C7'N3C2CMA8.0°0.0°
N3C7'C5'H7'1120.4°119.9°
N3C7'C5'H7'2120.0°120.0°
N3C7'H7'1H7'2120.3°120.0°
N3C7'C5'C6'120.2°62.9°
N3C7'C5'C4'59.2°116.8°
C2CMAOM1CMB124.8°120.0°
C2CMAOM1PC119.2°120.0°
C2CMACMBPC119.6°120.0°
C2CMAOM1HM1116.8°67.4°
C2CMACMBHMB1143.1°55.5°
C2CMACMBHMB223.1°175.5°
C2CMACMBHMB396.9°64.5°
C2CMAPCOM369.9°55.0°
C2CMAPCOM2178.0°175.0°
C2CMAPCOM459.9°65.0°
OM1CMACMBPC115.1°120.0°
OM1CMACMBHMB117.8°64.5°
OM1CMACMBHMB2102.2°55.5°
OM1CMACMBHMB3137.8°175.5°
OM1CMAPCOM3168.4°175.0°
OM1CMAPCOM256.3°65.0°
OM1CMAPCOM461.8°55.0°
CMBCMAOM1HM18.1°172.6°
CMACMBHMB1HMB2120.0°120.0°
CMACMBHMB1HMB3120.0°120.0°
CMACMBHMB2HMB3120.0°120.0°
CMBCMAPCOM351.7°65.0°
CMBCMAPCOM260.4°55.0°
CMBCMAPCOM4178.5°175.0°
PCCMAOM1HM1124.0°52.6°
PCCMACMBHMB197.3°175.5°
PCCMACMBHMB2142.7°64.5°
PCCMACMBHMB322.7°55.5°
CMAPCOM3OM2115.3°120.0°
CMAPCOM3OM4128.1°120.0°
CMAPCOM2OM4120.8°120.0°
CMAPCOM3HM3132.2°60.0°
CMAPCOM2CMC171.8°175.0°
HMB1CMBHMB2HMB3120.0°120.0°
OM3PCOM2OM4121.8°120.0°
OM3PCOM2CMC54.4°65.0°
OM2PCOM3HM3112.5°60.0°
PCOM2CMCHMC1177.9°179.9°
PCOM2CMCHMC262.1°60.0°
PCOM2CMCHMC357.9°60.0°
OM4PCOM3HM34.1°180.0°
OM4PCOM2CMC67.4°55.0°
OM2CMCHMC1HMC2120.0°120.0°
OM2CMCHMC1HMC3120.0°120.1°
OM2CMCHMC2HMC3120.0°120.0°
HMC1CMCHMC2HMC3120.0°120.0°
C5'C7'H7'1H7'2120.3°120.1°
C7'C5'C6'C4'179.4°179.7°
C7'C5'C6'N1'179.8°180.0°
C7'C5'C6'H6'0.2°0.1°
C7'C5'C4'N3'179.4°179.8°
C7'C5'C4'N4'0.5°0.0°
H7'1C7'C5'C6'119.4°177.2°
H7'1C7'C5'C4'61.2°3.1°
H7'2C7'C5'C6'0.2°57.1°
H7'2C7'C5'C4'179.2°123.2°
C5'C6'N1'H6'180.0°179.9°
C5'C6'N1'C2'0.2°0.1°
C6'C5'C4'N3'0.0°0.5°
C6'C5'C4'N4'179.9°179.8°
C4'C5'C6'N1'0.4°0.3°
C4'C5'C6'H6'179.6°179.8°
C5'C4'N3'C2'0.5°0.5°
C5'C4'N3'N4'180.0°179.7°
C5'C4'N4'H4'1180.0°17.2°
C5'C4'N4'H4'20.0°162.8°
C6'N1'C2'CM2179.9°180.0°
C6'N1'C2'N3'0.4°0.0°
H6'C6'N1'C2'179.8°180.0°
N1'C2'CM2N3'179.5°180.0°
N1'C2'CM2HM2165.5°90.1°
N1'C2'CM2HM2254.6°150.0°
N1'C2'CM2HM23174.6°30.0°
N1'C2'N3'C4'0.7°0.3°
C2'CM2HM21HM22120.0°119.9°
C2'CM2HM21HM23120.0°120.1°
C2'CM2HM22HM23120.0°120.0°
CM2C2'N3'C4'179.8°179.7°
N3'C2'CM2HM21115.0°89.9°
N3'C2'CM2HM22124.9°30.0°
N3'C2'CM2HM234.9°150.0°
C2'N3'C4'N4'179.5°179.8°
HM21CM2HM22HM23120.0°120.0°
N3'C4'N4'H4'10.0°163.1°
N3'C4'N4'H4'2180.0°16.9°
C4'N4'H4'1H4'2180.0°180.0°

221716

PDB entries from 2024-06-26

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