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D7K

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
PAO2Asing1.61Å1.47Å
PAO3Asing1.61Å1.62Å
O1APAdoub1.48Å1.65Å
O2AHO2Asing0.97Å0.95Å
O1BHO1Bsing0.97Å0.95Å
PBO1Bsing1.61Å1.63Å
PBO3Asing1.61Å1.63Å
PBO3Bsing1.61Å1.43Å
O2BPBdoub1.48Å1.66Å
O3BHO3Bsing0.97Å0.95Å
O01PAsing1.61Å1.63Å
O01C01sing1.43Å1.41Å
C01H01sing1.09Å1.10Å
C01H01Asing1.09Å1.10Å
C05C01sing1.53Å1.54Å
C05C04sing1.51Å1.53Å
C05H05sing1.09Å1.10Å
C05H05Asing1.09Å1.10Å
C04S1sing1.76Å1.73ÅAromatic
C03C04doub1.34Å1.45ÅAromatic
C03N3sing1.32Å1.62ÅAromatic
CM4C03sing1.51Å1.54Å
CM4HM4sing1.09Å1.10Å
CM4HM4Asing1.09Å1.10Å
CM4HM4Bsing1.09Å1.10Å
S1C02sing1.71Å1.68ÅAromatic
C02C7sing1.51Å1.55Å
N3C02doub1.29Å1.55ÅAromatic
N3C7,sing1.46Å1.46Å
C7,H7,sing1.09Å1.10Å
C7,H7,Asing1.09Å1.10Å
C5,C7,sing1.51Å1.51Å
C5,C4,sing1.40Å1.40ÅAromatic
C6,C5,doub1.38Å1.37ÅAromatic
C6,N1,sing1.33Å1.35ÅAromatic
C6,H6,sing1.08Å1.08Å
C4,N4,sing1.39Å1.44Å
N4,HN4,sing0.97Å1.00Å
N4,HN4Asing0.97Å1.00Å
N3,C4,doub1.33Å1.30ÅAromatic
C2,N3,sing1.32Å1.37ÅAromatic
C2,CM2sing1.51Å1.53Å
N1,C2,doub1.32Å1.36ÅAromatic
CM2HM2sing1.09Å1.10Å
CM2HM2Asing1.09Å1.10Å
CM2HM2Bsing1.09Å1.10Å
O12P8doub1.48Å1.65Å
P8C7sing1.82Å1.86Å
P8O9sing1.61Å1.67Å
O11P8sing1.61Å1.48Å
O11HO11sing0.97Å0.95Å
O9C10sing1.43Å1.41Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C10H10Bsing1.09Å1.10Å
C7O7sing1.43Å1.40Å
C7C2sing1.51Å1.56Å
O7HO7sing0.97Å0.95Å
C2C3sing1.38Å1.41ÅAromatic
C3C4doub1.38Å1.42ÅAromatic
C3H3sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C5C4sing1.38Å1.43ÅAromatic
C5H5sing1.08Å1.08Å
C6C5doub1.38Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
C1C2doub1.38Å1.43ÅAromatic
C1C6sing1.38Å1.40ÅAromatic
C1H1sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2APAO3A105.3°109.5°
O2APAO1A103.7°109.4°
PAO2AHO2A109.5°114.0°
O2APAO01110.6°109.5°
O3APAO1A112.9°109.5°
PAO3APB126.8°134.0°
O3APAO01116.1°109.5°
O1APAO01107.5°109.5°
HO1BO1BPB109.5°114.0°
O1BPBO3A99.0°109.5°
O1BPBO3B115.3°109.5°
O1BPBO2B113.3°109.5°
O3APBO3B114.2°109.4°
O3APBO2B109.1°109.5°
O3BPBO2B106.0°109.5°
PBO3BHO3B109.5°114.0°
PAO01C01117.4°123.0°
O01C01H01109.9°109.5°
O01C01H01A110.2°109.5°
O01C01C05108.3°109.5°
H01C01H01A108.5°109.5°
H01C01C05109.9°109.5°
H01AC01C05110.1°109.4°
C01C05C04109.4°109.5°
C01C05H05109.5°109.5°
C01C05H05A109.5°109.4°
C04C05H05109.5°109.5°
C04C05H05A109.5°109.5°
C05C04S1118.5°126.0°
C05C04C03129.8°126.0°
H05C05H05A109.5°109.5°
S1C04C03111.7°107.9°
C04S1C02101.6°90.3°
C04C03N3108.0°114.5°
C04C03CM4126.7°122.8°
N3C03CM4125.3°122.8°
C03N3C02111.9°117.1°
C03N3C7,126.2°121.4°
C03CM4HM4109.5°109.4°
C03CM4HM4A109.5°109.4°
C03CM4HM4B109.4°109.5°
HM4CM4HM4A109.5°109.5°
HM4CM4HM4B109.5°109.5°
HM4ACM4HM4B109.5°109.5°
S1C02C7124.8°124.9°
S1C02N3106.8°110.2°
C7C02N3128.0°124.9°
C02C7P8108.2°109.5°
C02C7O7106.0°109.5°
C02C7C2109.3°109.5°
C02N3C7,121.8°121.5°
N3C7,H7,108.9°109.5°
N3C7,H7,A108.5°109.5°
N3C7,C5,111.2°109.5°
H7,C7,H7,A110.8°109.4°
H7,C7,C5,108.9°109.4°
H7,AC7,C5,108.5°109.4°
C7,C5,C4,118.9°120.8°
C7,C5,C6,119.6°120.8°
C4,C5,C6,121.4°118.4°
C5,C4,N4,123.0°120.5°
C5,C4,N3,119.2°118.9°
C5,C6,N1,116.4°119.2°
C5,C6,H6,121.8°120.4°
N1,C6,H6,121.8°120.4°
C6,N1,C2,122.9°121.0°
C4,N4,HN4,109.5°120.0°
C4,N4,HN4A109.5°120.0°
N4,C4,N3,117.6°120.5°
HN4,N4,HN4A109.5°120.0°
C4,N3,C2,121.2°120.7°
N3,C2,CM2119.8°119.1°
N3,C2,N1,118.5°121.8°
CM2C2,N1,121.6°119.1°
C2,CM2HM2109.5°109.5°
C2,CM2HM2A109.4°109.5°
C2,CM2HM2B109.4°109.4°
HM2CM2HM2A109.5°109.5°
HM2CM2HM2B109.4°109.4°
HM2ACM2HM2B109.5°109.5°
O12P8C7111.8°109.4°
O12P8O9110.7°109.5°
O12P8O11107.1°109.5°
C7P8O9108.1°109.5°
C7P8O11103.3°109.5°
P8C7O7109.6°109.5°
P8C7C2110.3°109.4°
O9P8O11115.5°109.5°
P8O9C10121.0°123.0°
P8O11HO11109.5°114.0°
O9C10H10109.5°109.4°
O9C10H10A109.5°109.5°
O9C10H10B109.5°109.4°
H10C10H10A109.5°109.5°
H10C10H10B109.4°109.5°
H10AC10H10B109.5°109.5°
O7C7C2113.2°109.5°
C7O7HO7109.5°114.0°
C7C2C3120.7°120.0°
C7C2C1120.3°120.0°
C2C3C4120.3°120.0°
C2C3H3119.8°120.0°
C3C2C1119.0°120.0°
C4C3H3119.8°120.0°
C3C4H4120.1°120.0°
C3C4C5119.7°120.0°
H4C4C5120.2°120.0°
C4C5H5120.1°120.0°
C4C5C6119.9°120.0°
H5C5C6120.0°120.0°
C5C6H6119.9°120.0°
C5C6C1120.3°120.0°
H6C6C1119.8°120.0°
C2C1C6120.7°120.0°
C2C1H1119.6°120.0°
C6C1H1119.6°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2APAO3AO1A112.5°120.0°
O2APAO3AO01122.7°120.0°
O2APAO1AO01117.2°120.0°
O2APAO3APB174.5°75.0°
O2APAO01C0160.7°65.0°
O3APAO1AO01129.4°120.0°
O3APAO2AHO2A37.0°60.0°
PAO3APBO1B148.9°80.0°
PAO3APBO3B88.0°160.0°
PAO3APBO2B30.3°40.0°
O3APAO01C0159.2°175.0°
O1APAO2AHO2A155.8°180.0°
O1APAO3APB73.0°45.0°
O1APAO01C01173.3°55.0°
HO2AO2APAO0189.3°60.0°
HO1BO1BPBO3A82.8°60.0°
HO1BO1BPBO3B39.5°59.9°
HO1BO1BPBO2B161.8°179.9°
O1BPBO3AO3B123.1°120.0°
O1BPBO3AO2B118.6°120.1°
O1BPBO3BO2B126.2°120.0°
O1BPBO3BHO3B163.2°60.0°
O3APBO3BO2B120.1°120.0°
O3APBO3BHO3B83.0°180.0°
PBO3APAO0151.8°165.0°
O2BPBO3BHO3B37.1°60.0°
PAO01C01H0130.9°60.0°
PAO01C01H01A88.6°60.0°
PAO01C01C05150.9°180.0°
O01C01H01H01A120.5°120.0°
O01C01H01C05119.0°120.0°
O01C01H01AC05119.3°120.0°
O01C01C05C04155.1°180.0°
O01C01C05H0535.1°60.0°
O01C01C05H05A84.9°60.0°
H01C01H01AC05120.3°120.0°
H01C01C05C0484.8°60.0°
H01C01C05H05155.2°180.0°
H01C01C05H05A35.2°60.0°
H01AC01C05C0434.6°60.0°
H01AC01C05H0585.3°60.0°
H01AC01C05H05A154.6°180.0°
C01C05C04H05120.0°120.0°
C01C05C04H05A120.0°120.0°
C01C05H05H05A120.0°119.9°
C01C05C04S186.8°90.0°
C01C05C04C0390.2°90.3°
C04C05H05H05A120.0°120.0°
C05C04S1C03177.5°179.8°
C05C04C03N3178.0°179.9°
C05C04C03CM42.4°0.0°
C05C04S1C02179.6°180.0°
H05C05C04S1153.3°150.0°
H05C05C04C0329.8°29.7°
H05AC05C04S133.2°30.0°
H05AC05C04C03149.8°149.8°
S1C04C03N30.8°0.3°
S1C04C03CM4179.5°179.8°
C04S1C02C7170.2°179.9°
C04S1C02N32.4°0.2°
C04C03N3CM4179.6°180.0°
C04C03CM4HM4111.8°90.0°
C04C03CM4HM4A8.3°150.0°
C04C03CM4HM4B128.2°30.0°
C03C04S1C022.0°0.2°
C04C03N3C020.9°0.2°
C04C03N3C7,176.3°180.0°
N3C03CM4HM468.7°90.0°
N3C03CM4HM4A171.3°30.0°
N3C03CM4HM4B51.3°150.0°
C03N3C02S12.2°0.0°
C03N3C02C7170.1°179.8°
C03N3C02C7,175.6°179.8°
C03N3C7,H7,49.2°147.0°
C03N3C7,H7,A169.9°27.0°
C03N3C7,C5,70.8°93.0°
C03CM4HM4HM4A120.0°120.0°
C03CM4HM4HM4B120.0°120.0°
C03CM4HM4AHM4B120.0°120.0°
CM4C03N3C02178.7°179.9°
CM4C03N3C7,3.4°0.1°
HM4CM4HM4AHM4B120.0°120.1°
S1C02C7N3171.0°179.8°
S1C02N3C7,177.8°179.8°
S1C02C7P893.0°5.9°
S1C02C7O7149.5°125.9°
S1C02C7C227.1°114.1°
C7C02N3C7,5.5°0.0°
C02C7P8O1266.6°45.0°
C02C7P8O7115.2°120.0°
C02C7P8C2119.5°120.0°
C02C7P8O9171.3°75.0°
C02C7P8O1148.4°165.0°
C02C7O7C2119.8°120.0°
C02C7O7HO7161.1°173.5°
C02C7C2C3108.6°142.8°
C02C7C2C169.9°37.4°
C02N3C7,H7,125.8°33.2°
C02N3C7,H7,A5.0°153.2°
C02N3C7,C5,114.2°86.8°
N3C02C7P878.0°173.9°
N3C02C7O739.5°53.9°
N3C02C7C2161.9°66.1°
N3C7,H7,H7,A119.3°120.0°
N3C7,H7,C5,121.4°120.1°
N3C7,H7,AC5,121.0°120.0°
N3C7,C5,C4,69.7°136.7°
N3C7,C5,C6,115.1°43.1°
H7,C7,H7,AC5,119.5°119.9°
H7,C7,C5,C4,170.3°16.6°
H7,C7,C5,C6,4.9°163.1°
H7,AC7,C5,C4,49.5°103.3°
H7,AC7,C5,C6,125.6°77.0°
C7,C5,C4,C6,175.0°179.7°
C7,C5,C6,N1,177.1°180.0°
C7,C5,C6,H6,2.9°0.0°
C7,C5,C4,N4,3.5°0.0°
C7,C5,C4,N3,178.9°179.9°
C4,C5,C6,N1,2.1°0.2°
C4,C5,C6,H6,177.9°179.8°
C5,C4,N4,N3,175.4°179.9°
C5,C4,N4,HN4,6.9°5.7°
C5,C4,N4,HN4A126.9°174.3°
C5,C4,N3,C2,5.1°0.1°
C5,C6,N1,H6,180.0°180.0°
C6,C5,C4,N4,178.6°179.7°
C6,C5,C4,N3,6.1°0.2°
C5,C6,N1,C2,2.9°0.0°
C6,N1,C2,N3,3.9°0.4°
C6,N1,C2,CM2178.6°180.0°
H6,C6,N1,C2,177.1°180.0°
C4,N4,HN4,HN4A120.0°180.0°
N4,C4,N3,C2,179.4°180.0°
HN4,N4,C4,N3,168.6°174.3°
HN4AN4,C4,N3,48.5°5.7°
C4,N3,C2,CM2177.2°180.0°
C4,N3,C2,N1,0.3°0.4°
N3,C2,CM2N1,177.4°179.6°
N3,C2,CM2HM226.9°90.0°
N3,C2,CM2HM2A93.1°149.9°
N3,C2,CM2HM2B146.8°29.9°
C2,CM2HM2HM2A120.0°120.0°
C2,CM2HM2HM2B120.0°119.9°
C2,CM2HM2AHM2B120.0°120.0°
N1,C2,CM2HM2150.6°90.4°
N1,C2,CM2HM2A89.4°29.7°
N1,C2,CM2HM2B30.6°149.7°
HM2CM2HM2AHM2B120.0°120.0°
O12P8C7O9122.2°120.0°
O12P8C7O11114.9°120.0°
O12P8O9O11122.0°120.0°
O12P8O11HO11179.0°180.0°
O12P8O9C10135.5°55.0°
O12P8C7O748.6°165.0°
O12P8C7C2173.9°75.0°
C7P8O9O11115.2°120.0°
C7P8O11HO1160.8°60.0°
C7P8O9C10101.6°175.0°
P8C7O7C2123.6°120.0°
P8C7O7HO782.4°53.5°
P8C7C2C3132.6°97.2°
P8C7C2C148.9°82.6°
O9P8O11HO1157.1°60.0°
P8O9C10H1046.5°60.0°
P8O9C10H10A73.5°180.0°
P8O9C10H10B166.5°60.0°
O9P8C7O773.6°45.0°
O9P8C7C251.7°165.0°
O11P8O9C1013.5°65.0°
O11P8C7O7163.5°75.0°
O11P8C7C271.2°45.0°
O9C10H10H10A120.0°120.1°
O9C10H10H10B120.0°119.9°
O9C10H10AH10B120.0°120.0°
H10C10H10AH10B120.0°120.0°
O7C7C2C39.3°22.8°
O7C7C2C1172.2°157.4°
C2C7O7HO741.2°66.5°
C7C2C3C1178.5°179.8°
C7C2C3C4178.1°180.0°
C7C2C3H31.9°0.0°
C7C2C1C6176.9°179.7°
C7C2C1H13.1°0.0°
C2C3C4H3180.0°180.0°
C2C3C4H4178.5°180.0°
C2C3C4C51.5°0.0°
C3C2C1C61.6°0.5°
C3C2C1H1178.4°179.7°
C3C4H4C5180.0°180.0°
C3C4C5H5177.8°180.0°
C3C4C5C62.2°0.0°
C4C3C2C10.4°0.3°
H3C3C4H41.5°0.0°
H3C3C4C5178.6°180.0°
H3C3C2C1179.6°179.8°
H4C4C5H52.2°0.0°
H4C4C5C6177.8°180.0°
C4C5H5C6180.0°180.0°
C4C5C6H6179.0°180.0°
C4C5C6C11.0°0.3°
H5C5C6H61.0°0.0°
H5C5C6C1179.0°179.8°
C5C6H6C1180.0°179.8°
C5C6C1C20.9°0.5°
C5C6C1H1179.1°179.7°
H6C6C1C2179.1°179.7°
H6C6C1H10.9°0.1°
C2C1C6H1180.0°179.8°

222624

PDB entries from 2024-07-17

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