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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
PAO1Adoub1.48Å1.48Å
PAO2Asing1.61Å1.48Å
PAO5Asing1.61Å1.61Å
PAO3Asing1.61Å1.61Å
O2AHOA2sing0.97Å0.95Å
O5AC1sing1.43Å1.40Å
PBO1Bdoub1.48Å1.48Å
PBO2Bsing1.61Å1.48Å
PBO3Asing1.61Å1.60Å
PBO3Bsing1.61Å1.48Å
O2BHOB2sing0.97Å0.95Å
O3BHOB3sing0.97Å0.95Å
C1C2sing1.51Å1.53Å
C1H11sing1.09Å1.11Å
C1H12sing1.09Å1.12Å
C2C3doub1.31Å1.35Å
C2H2sing1.08Å1.10Å
C3C4sing1.51Å1.50Å
C3C14sing1.51Å1.51Å
C4C5sing1.53Å1.53Å
C4H41sing1.09Å1.12Å
C4H42sing1.09Å1.12Å
C5C6sing1.51Å1.53Å
C5H51sing1.09Å1.11Å
C5H52sing1.09Å1.12Å
C6C7doub1.31Å1.34Å
C6H6sing1.08Å1.10Å
C7C8sing1.51Å1.51Å
C7C13sing1.51Å1.50Å
C8C9sing1.53Å1.54Å
C8H81sing1.09Å1.11Å
C8H82sing1.09Å1.12Å
C9C10sing1.51Å1.53Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.12Å
C10C11doub1.31Å1.35Å
C10H10sing1.08Å1.10Å
C11C12sing1.51Å1.49Å
C11C15sing1.51Å1.50Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.11Å
C12H123sing1.09Å1.12Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.12Å
C15H153sing1.09Å1.12Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.12Å
C13H133sing1.09Å1.11Å
C14F1sing1.40Å1.32Å
C14F2sing1.40Å1.32Å
C14F3sing1.40Å1.32Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1APAO2A120.2°109.4°
O1APAO5A109.0°109.5°
O1APAO3A108.0°109.5°
O2APAO5A108.5°109.5°
O2APAO3A107.9°109.5°
PAO2AHOA2120.2°106.8°
O5APAO3A101.6°109.5°
PAO5AC1117.0°106.8°
PAO3APB125.5°106.8°
O5AC1C2110.9°109.5°
O5AC1H11111.7°109.5°
O5AC1H12111.6°109.5°
O1BPBO2B115.0°109.5°
O1BPBO3A102.0°109.5°
O1BPBO3B115.6°109.4°
O2BPBO3A102.8°109.5°
O2BPBO3B115.3°109.5°
PBO2BHOB2115.0°106.8°
O3APBO3B103.2°109.5°
PBO3BHOB3115.6°106.7°
C2C1H11111.7°109.4°
C2C1H12111.7°109.4°
C1C2C3120.8°120.0°
C1C2H2125.9°119.9°
H11C1H1298.7°109.5°
C3C2H2113.3°120.1°
C2C3C4119.2°120.0°
C2C3C14120.7°120.0°
C4C3C14119.4°120.0°
C3C4C5116.5°109.5°
C3C4H41109.7°109.5°
C3C4H42109.7°109.5°
C3C14F1111.6°109.5°
C3C14F2110.3°109.5°
C3C14F3109.3°109.4°
C5C4H41109.7°109.5°
C5C4H42109.7°109.5°
C4C5C6114.4°109.5°
C4C5H51110.4°109.4°
C4C5H52110.4°109.5°
H41C4H42100.5°109.5°
C6C5H51110.4°109.5°
C6C5H52110.4°109.5°
C5C6C7120.3°120.0°
C5C6H6126.7°120.0°
H51C5H5299.9°109.5°
C7C6H6113.0°120.0°
C6C7C8119.2°120.0°
C6C7C13119.2°120.0°
C8C7C13119.5°120.0°
C7C8C9119.2°109.5°
C7C8H81108.7°109.4°
C7C8H82108.7°109.5°
C7C13H131119.2°109.5°
C7C13H132108.7°109.5°
C7C13H133108.7°109.5°
C9C8H81108.7°109.5°
C9C8H82108.6°109.5°
C8C9C10114.3°109.5°
C8C9H91110.5°109.5°
C8C9H92110.5°109.5°
H81C8H82101.4°109.5°
C10C9H91110.4°109.4°
C10C9H92110.4°109.5°
C9C10C11120.4°120.0°
C9C10H10126.2°120.0°
H91C9H9299.8°109.5°
C11C10H10113.4°120.0°
C10C11C12119.4°120.0°
C10C11C15119.6°120.0°
C12C11C15119.3°120.0°
C11C12H121119.4°109.5°
C11C12H122108.6°109.5°
C11C12H123108.6°109.5°
C11C15H151119.6°109.5°
C11C15H152108.6°109.4°
C11C15H153108.6°109.5°
H121C12H122108.7°109.5°
H121C12H123108.6°109.5°
H122C12H123101.4°109.4°
H151C15H152108.5°109.5°
H151C15H153108.6°109.4°
H152C15H153101.4°109.5°
H131C13H132108.7°109.4°
H131C13H133108.8°109.5°
H132C13H133101.3°109.5°
F1C14F2107.7°109.4°
F1C14F3107.9°109.5°
F2C14F3110.0°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1APAO2AO5A126.3°120.0°
O1APAO2AO3A124.4°120.0°
O1APAO5AO3A113.9°120.0°
O1APAO2AHOA2180.0°180.0°
O1APAO5AC156.1°60.0°
O1APAO3APB59.5°60.0°
O2APAO5AO3A113.6°120.0°
O2APAO5AC1171.4°60.0°
O2APAO3APB71.8°60.0°
O5APAO2AHOA253.7°60.0°
O5APAO3APB174.1°180.0°
PAO5AC1C2177.7°180.0°
PAO5AC1H1152.5°60.0°
PAO5AC1H1257.0°60.0°
O3APAO2AHOA255.6°60.0°
O3APAO5AC157.8°180.0°
PAO3APBO1B47.7°60.0°
PAO3APBO2B71.8°180.0°
PAO3APBO3B168.0°60.0°
O5AC1C2H11125.2°120.0°
O5AC1C2H12125.2°120.0°
O5AC1H11H12117.6°120.0°
O5AC1C2C3178.1°135.5°
O5AC1C2H21.9°44.5°
O1BPBO2BO3A110.0°120.0°
O1BPBO2BO3B138.5°120.0°
O1BPBO3AO3B120.3°120.0°
O1BPBO2BHOB2180.0°59.9°
O1BPBO3BHOB3180.0°180.0°
O2BPBO3AO3B120.2°120.0°
O2BPBO3BHOB341.8°60.0°
O3APBO2BHOB269.9°180.0°
O3APBO3BHOB369.5°60.0°
O3BPBO2BHOB241.5°60.0°
C2C1H11H12117.6°120.0°
C1C2C3H2179.9°180.0°
C1C2C3C4169.7°179.0°
C1C2C3C140.2°1.0°
H11C1C2C356.7°104.5°
H11C1C2H2123.4°75.5°
H12C1C2C352.9°15.5°
H12C1C2H2127.1°164.5°
C2C3C4C14170.0°180.0°
C2C3C4C5112.8°90.0°
C2C3C4H41121.9°30.0°
C2C3C4H4212.5°150.0°
C2C3C14F1178.4°55.1°
C2C3C14F258.8°175.0°
C2C3C14F362.3°65.0°
H2C2C3C410.2°1.0°
H2C2C3C14179.9°179.0°
C3C4C5H41125.3°120.0°
C3C4C5H42125.3°120.0°
C3C4H41H42115.4°120.0°
C3C4C5C6115.7°180.0°
C3C4C5H519.5°60.0°
C3C4C5H52119.0°60.0°
C4C3C14F18.5°124.9°
C4C3C14F2111.1°4.9°
C4C3C14F3127.8°115.0°
C14C3C4C577.2°90.1°
C14C3C4H4148.1°150.0°
C14C3C4H42157.6°30.0°
C3C14F1F2121.1°120.0°
C3C14F1F3120.1°120.0°
C3C14F2F3120.7°119.9°
C5C4H41H42115.5°120.0°
C4C5C6H51125.2°120.0°
C4C5C6H52125.2°120.0°
C4C5H51H52116.2°120.0°
C4C5C6C787.9°125.6°
C4C5C6H692.1°54.5°
H41C4C5C6119.0°60.0°
H41C4C5H51115.7°180.0°
H41C4C5H526.2°60.1°
H42C4C5C69.5°60.0°
H42C4C5H51134.8°60.0°
H42C4C5H52115.7°180.0°
C6C5H51H52116.3°120.1°
C5C6C7H6180.0°179.9°
C5C6C7C8179.7°174.6°
C5C6C7C1317.2°5.4°
H51C5C6C737.4°114.5°
H51C5C6H6142.7°65.4°
H52C5C6C7146.9°5.6°
H52C5C6H633.1°174.5°
C6C7C8C13163.1°180.0°
C6C7C8C9133.1°90.0°
C6C7C8H81101.6°30.0°
C6C7C8H827.9°150.0°
C6C7C13H131180.0°55.0°
C6C7C13H13254.8°175.0°
C6C7C13H13354.7°65.0°
H6C6C7C80.3°5.5°
H6C6C7C13162.9°174.5°
C7C8C9H81125.3°120.0°
C7C8C9H82125.2°120.0°
C7C8H81H82114.4°120.0°
C7C8C9C1066.4°180.0°
C7C8C9H91168.3°60.0°
C7C8C9H9258.9°60.0°
C8C7C13H13116.9°125.0°
C8C7C13H132142.1°5.1°
C8C7C13H133108.4°115.0°
C13C7C8C963.8°90.0°
C13C7C8H8161.5°150.0°
C13C7C8H82171.1°30.0°
C7C13H131H132125.2°120.0°
C7C13H131H133125.3°120.0°
C7C13H132H133114.4°120.0°
C9C8H81H82114.3°120.1°
C8C9C10H91125.3°120.0°
C8C9C10H92125.3°120.1°
C8C9H91H92116.3°120.1°
C8C9C10C11100.2°125.5°
C8C9C10H1079.8°54.5°
H81C8C9C1058.9°60.1°
H81C8C9H9166.4°180.0°
H81C8C9H92175.8°60.0°
H82C8C9C10168.4°60.0°
H82C8C9H9143.1°60.0°
H82C8C9H9266.3°180.0°
C10C9H91H92116.3°120.0°
C9C10C11H10179.9°180.0°
C9C10C11C12179.0°174.5°
C9C10C11C1515.6°5.5°
H91C9C10C11134.5°114.5°
H91C9C10H1045.5°65.5°
H92C9C10C1125.1°5.4°
H92C9C10H10154.9°174.5°
C10C11C12C15165.4°180.0°
C10C11C12H121180.0°180.0°
C10C11C12H12254.7°60.0°
C10C11C12H12354.8°60.0°
C10C11C15H151180.0°55.0°
C10C11C15H15254.8°174.9°
C10C11C15H15354.7°65.1°
H10C10C11C121.0°5.5°
H10C10C11C15164.4°174.5°
C11C12H121H122125.3°120.1°
C11C12H121H123125.2°120.0°
C11C12H122H123114.3°120.0°
C12C11C15H15114.6°125.0°
C12C11C15H152110.6°5.1°
C12C11C15H153139.9°115.0°
C15C11C12H12114.5°0.0°
C15C11C12H122139.9°120.0°
C15C11C12H123110.6°120.0°
C11C15H151H152125.2°119.9°
C11C15H151H153125.3°120.1°
C11C15H152H153114.3°120.0°
H121C12H122H123114.3°120.0°
H151C15H152H153114.2°120.0°
H131C13H132H133114.5°120.0°
F1C14F2F3117.4°120.0°

223166

PDB entries from 2024-07-31

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