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MD1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
PBO3Bsing1.61Å1.60Å
PBO1Bsing1.61Å1.48Å
PBO2Bdoub1.48Å1.45Å
PBO3Asing1.61Å1.61Å
O3BPAsing1.61Å1.58Å
O1BH1Bsing0.97Å0.95Å
O3AC10sing1.43Å1.42Å
C10C11sing1.53Å1.55Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.11Å
C11O11sing1.43Å1.43Å
C11C12sing1.51Å1.59Å
C11H11sing1.09Å1.12Å
O11H1sing0.97Å0.95Å
C12S12sing1.76Å1.76Å
C12C13doub1.33Å1.43Å
S12H12sing1.34Å0.95Å
C13S13sing1.76Å1.75Å
C13C14sing1.51Å1.55Å
S13H13sing1.35Å0.95Å
C14N15sing1.47Å1.48Å
C14C7sing1.51Å1.55Å
C14H14sing1.09Å1.11Å
N15C16sing1.41Å1.40Å
N15H15sing0.97Å1.02Å
C16C15sing1.40Å1.42ÅAromatic
C16C20doub1.39Å1.48ÅAromatic
C15O14doub1.22Å1.23Å
C15N17sing1.35Å1.42ÅAromatic
N17C17sing1.36Å1.41ÅAromatic
N17H17sing0.97Å1.02Å
C17N16sing1.37Å1.33Å
C17N18doub1.31Å1.36ÅAromatic
N16H161sing0.97Å1.02Å
N16H162sing0.97Å1.02Å
N18C20sing1.34Å1.39ÅAromatic
C20N8sing1.36Å1.41Å
N8C7doub1.29Å1.50Å
C7H7sing1.08Å1.10Å
PAO1Asing1.61Å1.47Å
PAO2Adoub1.48Å1.50Å
PAO5'sing1.61Å1.62Å
O1AH1Asing0.97Å0.95Å
O5'C5'sing1.43Å1.42Å
C5'C4'sing1.53Å1.50Å
C5'H5'1sing1.09Å1.11Å
C5'H5'2sing1.09Å1.12Å
C4'O4'sing1.44Å1.43Å
C4'C3'sing1.54Å1.54Å
C4'H4'sing1.09Å1.12Å
O4'C1'sing1.44Å1.44Å
C1'N9sing1.46Å1.47Å
C1'C2'sing1.55Å1.55Å
C1'H1'sing1.09Å1.12Å
N9C4sing1.37Å1.39ÅAromatic
N9C8sing1.37Å1.39ÅAromatic
C4N3sing1.34Å1.41ÅAromatic
C4C5doub1.40Å1.41ÅAromatic
N3C2doub1.31Å1.36ÅAromatic
C2N2sing1.37Å1.32Å
C2N1sing1.36Å1.40ÅAromatic
N2HN21sing0.97Å1.02Å
N2HN22sing0.97Å1.02Å
N1C6sing1.35Å1.42ÅAromatic
N1HN1sing0.97Å1.02Å
C6O6doub1.22Å1.23Å
C6C5sing1.41Å1.43ÅAromatic
C5N7sing1.36Å1.38ÅAromatic
N7C8doub1.30Å1.32ÅAromatic
C8H8sing1.08Å1.10Å
C2'O2'sing1.43Å1.44Å
C2'C3'sing1.55Å1.54Å
C2'H2'sing1.09Å1.12Å
O2'H2sing0.97Å0.95Å
C3'O3'sing1.43Å1.43Å
C3'H3'sing1.09Å1.12Å
O3'H3sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3BPBO1B108.6°109.5°
O3BPBO2B108.1°109.5°
O3BPBO3A106.9°109.5°
PBO3BPA131.1°134.0°
O1BPBO2B116.0°109.5°
O1BPBO3A107.4°109.5°
PBO1BH1B108.5°114.0°
O2BPBO3A109.5°109.5°
PBO3AC10126.3°123.0°
O3BPAO1A107.3°109.5°
O3BPAO2A108.0°109.4°
O3BPAO5'96.2°109.5°
O3AC10C11102.2°109.5°
O3AC10H101115.0°109.5°
O3AC10H102115.0°109.5°
C11C10H101115.0°109.4°
C11C10H102115.0°109.5°
C10C11O11106.8°109.5°
C10C11C12112.7°109.5°
C10C11H11109.1°109.4°
H101C10H10295.5°109.5°
O11C11C12109.3°109.5°
O11C11H11112.4°109.5°
C11O11H1106.8°114.0°
C12C11H11106.6°109.5°
C11C12S12121.4°120.0°
C11C12C13124.4°120.0°
S12C12C13114.2°120.0°
C12S12H12121.3°103.0°
C12C13S13115.4°120.0°
C12C13C14129.4°120.0°
S13C13C14115.2°120.0°
C13S13H13115.4°102.9°
C13C14N15102.8°109.6°
C13C14C7118.9°109.6°
C13C14H14107.2°109.6°
N15C14C7107.3°108.8°
N15C14H14118.8°109.6°
C14N15C16117.9°116.9°
C14N15H15109.2°121.5°
C7C14H14102.7°109.7°
C14C7N8116.0°121.8°
C14C7H7123.4°119.1°
C16N15H15109.1°121.6°
N15C16C15121.5°121.9°
N15C16C20120.0°118.6°
C15C16C20118.5°119.5°
C16C15O14121.0°120.9°
C16C15N17116.8°118.3°
C16C20N18120.1°119.2°
C16C20N8120.0°119.6°
O14C15N17122.2°120.9°
C15N17C17124.0°120.1°
C15N17H17118.5°120.0°
C17N17H17117.4°119.9°
N17C17N16119.6°119.0°
N17C17N18118.4°122.0°
N16C17N18122.0°119.0°
C17N16H161119.7°120.0°
C17N16H162108.6°120.0°
C17N18C20122.1°121.0°
H161N16H162108.5°120.0°
N18C20N8119.9°121.3°
C20N8C7117.7°122.1°
N8C7H7120.6°119.1°
O1APAO2A118.4°109.4°
O1APAO5'111.2°109.5°
PAO1AH1A107.4°114.0°
O2APAO5'113.1°109.5°
PAO5'C5'120.6°123.0°
O5'C5'C4'110.2°109.5°
O5'C5'H5'1111.9°109.5°
O5'C5'H5'2111.9°109.4°
C4'C5'H5'1112.0°109.5°
C4'C5'H5'2111.9°109.5°
C5'C4'O4'107.6°109.9°
C5'C4'C3'110.3°109.9°
C5'C4'H4'109.9°109.8°
H5'1C5'H5'298.5°109.4°
O4'C4'C3'108.4°107.3°
O4'C4'H4'111.7°109.8°
C4'O4'C1'110.0°107.0°
C3'C4'H4'109.0°110.0°
C4'C3'C2'102.6°104.2°
C4'C3'O3'111.7°110.5°
C4'C3'H3'114.3°110.5°
O4'C1'N9104.8°110.7°
O4'C1'C2'105.6°103.5°
O4'C1'H1'117.2°110.6°
N9C1'C2'115.6°110.6°
N9C1'H1'107.5°110.5°
C1'N9C4123.6°126.3°
C1'N9C8132.2°126.2°
C2'C1'H1'106.6°110.7°
C1'C2'O2'115.5°111.0°
C1'C2'C3'102.1°102.1°
C1'C2'H2'111.3°110.9°
C4N9C8104.2°107.5°
N9C4N3127.0°134.1°
N9C4C5106.0°106.1°
N9C8N7115.1°109.8°
N9C8H8124.9°125.1°
N3C4C5127.0°119.7°
C4N3C2114.7°121.1°
C4C5C6117.4°118.6°
C4C5N7111.0°107.3°
N3C2N2121.9°119.0°
N3C2N1121.2°121.9°
N2C2N1116.9°119.1°
C2N2HN21122.0°120.0°
C2N2HN22107.8°119.9°
C2N1C6125.0°120.3°
C2N1HN1117.0°119.8°
HN21N2HN22107.8°120.1°
C6N1HN1118.1°119.9°
N1C6O6121.3°120.8°
N1C6C5114.8°118.4°
O6C6C5123.9°120.8°
C6C5N7131.6°134.1°
C5N7C8103.6°109.4°
N7C8H8120.0°125.1°
O2'C2'C3'111.5°110.9°
O2'C2'H2'101.7°110.8°
C2'O2'H2115.5°114.0°
C3'C2'H2'115.2°110.9°
C2'C3'O3'114.2°110.5°
C2'C3'H3'111.8°110.5°
O3'C3'H3'102.7°110.5°
C3'O3'H3111.7°114.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3BPBO1BO2B121.9°120.0°
O3BPBO1BO3A115.2°120.0°
O3BPBO2BO3A116.1°120.0°
O3BPBO1BH1B180.0°60.0°
O3BPBO3AC1062.1°175.0°
PBO3BPAO1A53.0°79.9°
PBO3BPAO2A178.2°40.0°
PBO3BPAO5'61.5°160.0°
O1BPBO2BO3A121.7°120.0°
O1BPBO3BPA127.3°75.0°
O1BPBO3AC1054.2°65.0°
O2BPBO3BPA0.7°45.0°
O2BPBO1BH1B58.0°180.0°
O2BPBO3AC10179.0°55.0°
O3APBO3BPA117.1°165.0°
O3APBO1BH1B64.8°60.0°
PBO3AC10C11175.1°180.0°
PBO3AC10H10159.6°60.0°
PBO3AC10H10249.8°60.0°
O3BPAO1AO2A122.5°120.0°
O3BPAO1AO5'104.0°120.0°
O3BPAO2AO5'105.1°120.0°
O3BPAO1AH1A180.0°60.0°
O3BPAO5'C5'110.5°175.0°
O3AC10C11H101125.2°120.0°
O3AC10C11H102125.3°120.0°
O3AC10H101H102120.9°120.1°
O3AC10C11O1157.4°65.0°
O3AC10C11C12177.5°175.0°
O3AC10C11H1164.4°55.0°
C11C10H101H102120.9°120.0°
C10C11O11C12122.2°120.0°
C10C11O11H11119.6°119.9°
C10C11C12H11119.6°119.9°
C10C11O11H1180.0°60.0°
C10C11C12S121.8°53.7°
C10C11C12C13176.7°126.4°
H101C10C11O1167.8°55.0°
H101C10C11C1252.2°65.0°
H101C10C11H11170.4°175.0°
H102C10C11O11177.3°175.0°
H102C10C11C1257.3°54.9°
H102C10C11H1160.9°65.1°
O11C11C12H11121.8°120.0°
O11C11C12S12120.4°66.3°
O11C11C12C1358.1°113.6°
C12C11O11H157.8°60.0°
C11C12S12C13178.6°179.9°
C11C12S12H12180.0°180.0°
C11C12C13S13177.6°172.2°
C11C12C13C141.8°7.7°
H11C11O11H160.4°180.0°
H11C11C12S12117.8°173.6°
H11C11C12C1363.7°6.4°
S12C12C13S131.0°7.8°
S12C12C13C14179.6°172.2°
C13C12S12H121.4°0.0°
C12C13S13C14179.5°179.9°
C12C13S13H13180.0°180.0°
C12C13C14N15115.5°108.5°
C12C13C14C72.8°132.1°
C12C13C14H14118.5°11.7°
S13C13C14N1564.0°71.4°
S13C13C14C7177.8°47.9°
S13C13C14H1462.0°168.4°
C14C13S13H130.5°0.0°
C13C14N15C7126.1°119.8°
C13C14N15H14118.2°120.2°
C13C14C7H14118.1°120.3°
C13C14N15C16176.2°80.3°
C13C14N15H1558.6°99.7°
C13C14C7N8164.2°92.7°
C13C14C7H715.8°87.4°
N15C14C7H14126.0°119.9°
C14N15C16H15125.3°179.9°
C14N15C16C15152.5°152.2°
C14N15C16C2028.4°27.8°
N15C14C7N848.3°27.1°
N15C14C7H7131.7°152.8°
C7C14N15C1650.1°39.5°
C7C14N15H15175.3°140.5°
C14C7N8C2025.4°0.7°
C14C7N8H7180.0°180.0°
H14C14N15C1665.7°159.4°
H14C14N15H1559.6°20.5°
H14C14C7N877.7°147.0°
H14C14C7H7102.3°33.0°
N15C16C15C20179.1°180.0°
N15C16C15O140.7°0.4°
N15C16C15N17179.0°179.6°
N15C16C20N18179.1°179.3°
N15C16C20N80.7°1.0°
H15N15C16C1527.2°27.8°
H15N15C16C20153.7°152.2°
C16C15O14N17179.7°180.0°
C16C15N17C170.0°0.1°
C16C15N17H17179.9°180.0°
C15C16C20N180.1°0.7°
C15C16C20N8179.9°179.0°
C20C16C15O14179.9°179.6°
C20C16C15N170.1°0.3°
C16C20N18C170.1°0.5°
C16C20N18N8179.8°179.6°
C16C20N8C70.1°15.2°
O14C15N17C17179.8°179.9°
O14C15N17H170.2°0.0°
C15N17C17H17180.0°179.9°
C15N17C17N16179.8°179.8°
C15N17C17N180.1°0.3°
N17C17N16N18179.9°180.0°
N17C17N16H161180.0°0.1°
N17C17N16H16254.7°179.9°
N17C17N18C200.2°0.0°
H17N17C17N160.2°0.1°
H17N17C17N18179.9°179.8°
C17N16H161H162125.3°180.0°
N16C17N18C20179.7°179.9°
N18C17N16H1610.1°180.0°
N18C17N16H162125.4°0.0°
C17N18C20N8179.7°179.1°
N18C20N8C7179.7°165.2°
C20N8C7H7154.6°179.3°
O1APAO2AO5'132.7°120.0°
O1APAO5'C5'138.2°65.0°
O2APAO1AH1A57.5°180.0°
O2APAO5'C5'2.0°55.0°
O5'PAO1AH1A76.0°60.0°
PAO5'C5'C4'141.5°180.0°
PAO5'C5'H5'193.2°60.0°
PAO5'C5'H5'216.3°60.0°
O5'C5'C4'H5'1125.2°120.0°
O5'C5'C4'H5'2125.2°120.0°
O5'C5'H5'1H5'2117.8°120.0°
O5'C5'C4'O4'143.6°66.4°
O5'C5'C4'C3'98.4°175.7°
O5'C5'C4'H4'21.8°54.5°
C4'C5'H5'1H5'2117.9°120.0°
C5'C4'O4'C3'119.2°119.5°
C5'C4'O4'H4'120.6°121.0°
C5'C4'C3'H4'120.7°121.1°
C5'C4'O4'C1'118.6°145.9°
C5'C4'C3'C2'96.5°121.5°
C5'C4'C3'O3'140.7°119.9°
C5'C4'C3'H3'24.7°2.8°
H5'1C5'C4'O4'18.4°53.6°
H5'1C5'C4'C3'136.4°64.3°
H5'1C5'C4'H4'103.4°174.6°
H5'2C5'C4'O4'91.2°173.6°
H5'2C5'C4'C3'26.8°55.7°
H5'2C5'C4'H4'147.0°65.5°
O4'C4'C3'H4'121.8°119.5°
C4'O4'C1'N9142.7°158.5°
C4'O4'C1'C2'20.2°40.0°
C4'O4'C1'H1'98.3°78.6°
O4'C4'C3'C2'20.9°2.0°
O4'C4'C3'O3'101.8°120.7°
O4'C4'C3'H3'142.2°116.7°
C3'C4'O4'C1'0.6°26.4°
C4'C3'C2'C1'31.4°20.9°
C4'C3'C2'O2'155.3°139.1°
C4'C3'C2'O3'121.0°118.7°
C4'C3'C2'H3'122.9°118.6°
C4'C3'C2'H2'89.4°97.3°
C4'C3'O3'H3'122.9°122.6°
C4'C3'O3'H3180.0°180.0°
H4'C4'O4'C1'120.7°93.1°
H4'C4'C3'C2'142.7°117.5°
H4'C4'C3'O3'20.0°1.2°
H4'C4'C3'H3'96.0°123.9°
O4'C1'N9C2'115.8°114.2°
O4'C1'N9H1'125.3°122.9°
O4'C1'C2'H1'125.3°118.6°
O4'C1'N9C490.1°156.4°
O4'C1'N9C889.5°23.3°
O4'C1'C2'O2'153.5°155.2°
O4'C1'C2'C3'32.3°37.0°
O4'C1'C2'H2'91.2°81.2°
N9C1'C2'H1'119.4°122.9°
C1'N9C4C8179.7°179.7°
C1'N9C4N30.1°0.0°
C1'N9C4C5179.8°180.0°
C1'N9C8N7179.8°179.8°
C1'N9C8H80.2°0.0°
N9C1'C2'O2'91.2°86.2°
N9C1'C2'C3'147.6°155.6°
N9C1'C2'H2'24.1°37.4°
C2'C1'N9C4154.2°89.4°
C2'C1'N9C826.2°90.9°
C1'C2'O2'C3'115.9°112.7°
C1'C2'O2'H2'120.7°123.6°
C1'C2'C3'H2'120.8°118.2°
C1'C2'O2'H2179.9°179.9°
C1'C2'C3'O3'89.6°97.8°
C1'C2'C3'H3'154.4°139.5°
H1'C1'N9C435.3°33.5°
H1'C1'N9C8145.1°146.1°
H1'C1'C2'O2'28.1°36.6°
H1'C1'C2'C3'93.1°81.6°
H1'C1'C2'H2'143.5°160.2°
N9C4N3C5179.8°180.0°
N9C4N3C2179.8°180.0°
N9C4C5C6179.9°180.0°
N9C4C5N70.0°0.0°
C4N9C8N70.1°0.5°
C4N9C8H8179.9°179.7°
C8N9C4N3179.8°179.8°
C8N9C4C50.1°0.3°
N9C8N7C50.1°0.5°
N9C8N7H8180.0°179.8°
C4N3C2N2179.7°179.9°
C4N3C2N10.1°0.0°
N3C4C5C60.1°0.0°
N3C4C5N7179.8°180.0°
C5C4N3C20.0°0.1°
C4C5C6N10.1°0.0°
C4C5C6O6180.0°180.0°
C4C5C6N7179.9°180.0°
C4C5N7C80.1°0.3°
N3C2N2N1179.8°180.0°
N3C2N2HN21180.0°0.0°
N3C2N2HN2254.7°180.0°
N3C2N1C60.1°0.0°
N3C2N1HN1179.9°180.0°
C2N2HN21HN22125.3°179.9°
N2C2N1C6179.8°180.0°
N2C2N1HN10.2°0.1°
N1C2N2HN210.2°180.0°
N1C2N2HN22125.2°0.0°
C2N1C6HN1180.0°180.0°
C2N1C6O6179.9°180.0°
C2N1C6C50.0°0.1°
N1C6O6C5179.9°179.9°
N1C6C5N7179.8°180.0°
HN1N1C6O60.1°0.0°
HN1N1C6C5179.9°180.0°
O6C6C5N70.1°0.0°
C6C5N7C8179.8°179.7°
C5N7C8H8179.9°179.7°
O2'C2'C3'H2'115.3°123.6°
O2'C2'C3'O3'34.3°20.4°
O2'C2'C3'H3'81.7°102.2°
C3'C2'O2'H264.0°67.3°
C2'C3'O3'H3'121.2°122.6°
C2'C3'O3'H364.2°65.2°
H2'C2'O2'H259.4°56.4°
H2'C2'C3'O3'149.6°144.0°
H2'C2'C3'H3'33.6°21.4°
H3'C3'O3'H357.0°57.4°

223166

PDB entries from 2024-07-31

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