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139

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
PAO1Adoub1.48Å1.53Å
PAO2Asing1.61Å1.50Å
PAO5Dsing1.61Å1.60Å
PAO3Asing1.61Å1.60Å
O2AHOA2sing0.97Å0.95Å
O5DC5Dsing1.43Å1.43Å
PBO1Bdoub1.48Å1.50Å
PBO2Bsing1.61Å1.49Å
PBO3Asing1.61Å1.60Å
PBO3Bsing1.61Å1.63Å
O2BHOB2sing0.97Å0.95Å
N9AC4Asing1.37Å1.38ÅAromatic
N9AC8Asing1.36Å1.38ÅAromatic
N9AC1Dsing1.47Å1.47Å
C4AN3Asing1.33Å1.36ÅAromatic
C4AC5Adoub1.41Å1.39ÅAromatic
N3AC2Adoub1.32Å1.35ÅAromatic
C2AN1Asing1.32Å1.35ÅAromatic
C2AH2Asing1.08Å1.08Å
N1AC6Adoub1.33Å1.36ÅAromatic
C6AN6Asing1.38Å1.33Å
C6AC5Asing1.40Å1.41ÅAromatic
N6AH6A1sing0.97Å1.00Å
N6AH6A2sing0.97Å1.00Å
C5AN7Asing1.35Å1.39ÅAromatic
N7AC8Adoub1.30Å1.31ÅAromatic
C8AH8Asing1.08Å1.08Å
C5DC4Dsing1.53Å1.52Å
C5DHA51sing1.09Å1.10Å
C5DHA52sing1.09Å1.10Å
C4DO4Dsing1.44Å1.45Å
C4DC3Dsing1.54Å1.53Å
C4DH4Dsing1.09Å1.10Å
O4DC1Dsing1.44Å1.41Å
C1DC2Dsing1.55Å1.54Å
C1DH1Dsing1.09Å1.10Å
C2DO2Dsing1.43Å1.42Å
C2DC3Dsing1.55Å1.53Å
C2DH2Dsing1.09Å1.10Å
O2DHD2sing0.97Å0.95Å
C3DO3Dsing1.43Å1.45Å
C3DH3Dsing1.09Å1.10Å
O3DHD3sing0.97Å0.95Å
O5BC5Bsing1.43Å1.44Å
O5BHB5sing0.97Å0.95Å
C5BC4Bsing1.53Å1.51Å
C5BHU51sing1.09Å1.10Å
C5BHU52sing1.09Å1.10Å
C4BO4Bsing1.45Å1.46Å
C4BC3Bsing1.54Å1.53Å
C4BH4Bsing1.09Å1.10Å
O4BC1Bsing1.44Å1.42Å
C1BC2Bsing1.55Å1.52Å
C1BN1Using1.46Å1.48Å
C1BH1Bsing1.09Å1.10Å
C2BC3Bsing1.55Å1.52Å
C2BHU21sing1.09Å1.10Å
C2BHU22sing1.09Å1.10Å
C3BO3Bsing1.43Å1.44Å
C3BH3Bsing1.09Å1.10Å
N1UC6Using1.37Å1.39ÅAromatic
N1UC2Using1.35Å1.40ÅAromatic
C6UC5Udoub1.35Å1.34ÅAromatic
C6UH6Using1.08Å1.08Å
C2UO2Udoub1.22Å1.22Å
C2UN3Using1.35Å1.38ÅAromatic
N3UC4Using1.35Å1.39ÅAromatic
N3UHN3Using0.97Å1.02Å
C4UO4Udoub1.22Å1.23Å
C4UC5Using1.42Å1.45ÅAromatic
C5UH5Using1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1APAO2A113.7°109.4°
O1APAO5D112.5°109.5°
O1APAO3A108.9°109.5°
O2APAO5D108.3°109.5°
O2APAO3A106.2°109.5°
PAO2AHOA2109.5°106.8°
O5DPAO3A106.8°109.5°
PAO5DC5D120.8°106.8°
PAO3APB135.3°106.8°
O5DC5DC4D110.8°109.4°
O5DC5DHA51108.7°109.5°
O5DC5DHA52109.0°109.4°
O1BPBO2B119.2°109.5°
O1BPBO3A107.1°109.5°
O1BPBO3B113.8°109.5°
O2BPBO3A105.9°109.5°
O2BPBO3B105.5°109.4°
PBO2BHOB2109.5°106.8°
O3APBO3B104.1°109.5°
PBO3BC3B120.9°106.8°
C4AN9AC8A105.6°107.4°
C4AN9AC1D130.6°126.3°
N9AC4AN3A128.1°134.9°
N9AC4AC5A105.3°106.0°
C8AN9AC1D123.8°126.3°
N9AC8AN7A114.2°110.0°
N9AC8AH8A122.9°125.0°
N9AC1DO4D110.4°110.4°
N9AC1DC2D119.6°110.3°
N9AC1DH1D101.1°110.3°
N3AC4AC5A126.5°119.1°
C4AN3AC2A110.9°120.6°
C4AC5AC6A117.2°118.2°
C4AC5AN7A111.0°107.1°
N3AC2AN1A128.8°122.5°
N3AC2AH2A115.6°118.7°
N1AC2AH2A115.6°118.7°
C2AN1AC6A118.5°121.1°
N1AC6AN6A119.1°120.7°
N1AC6AC5A118.1°118.5°
N6AC6AC5A122.8°120.8°
C6AN6AH6A1109.5°120.0°
C6AN6AH6A2109.5°120.0°
C6AC5AN7A131.9°134.7°
H6A1N6AH6A2109.5°120.0°
C5AN7AC8A103.8°109.5°
N7AC8AH8A122.9°125.0°
C4DC5DHA51108.7°109.5°
C4DC5DHA52109.0°109.4°
C5DC4DO4D109.6°110.4°
C5DC4DC3D116.5°110.5°
C5DC4DH4D102.8°110.3°
HA51C5DHA52110.5°109.5°
O4DC4DC3D103.4°104.8°
O4DC4DH4D116.1°110.4°
C4DO4DC1D108.4°105.2°
C3DC4DH4D109.0°110.4°
C4DC3DC2D103.3°104.1°
C4DC3DO3D115.4°110.5°
C4DC3DH3D110.5°110.5°
O4DC1DC2D108.8°104.9°
O4DC1DH1D113.6°110.4°
C2DC1DH1D103.0°110.4°
C1DC2DO2D110.8°110.8°
C1DC2DC3D102.3°104.0°
C1DC2DH2D114.6°110.5°
O2DC2DC3D113.2°110.5°
O2DC2DH2D104.0°110.5°
C2DO2DHD2109.5°106.8°
C3DC2DH2D112.3°110.5°
C2DC3DO3D111.7°110.6°
C2DC3DH3D114.4°110.6°
O3DC3DH3D102.0°110.4°
C3DO3DHD3109.5°106.8°
C5BO5BHB5109.5°106.9°
O5BC5BC4B110.4°109.5°
O5BC5BHU51109.0°109.4°
O5BC5BHU52109.1°109.5°
C4BC5BHU51109.0°109.5°
C4BC5BHU52109.2°109.5°
C5BC4BO4B108.6°110.4°
C5BC4BC3B114.9°110.7°
C5BC4BH4B105.4°110.3°
HU51C5BHU52110.2°109.5°
O4BC4BC3B106.4°104.7°
O4BC4BH4B114.1°110.3°
C4BO4BC1B109.8°105.4°
C3BC4BH4B107.7°110.3°
C4BC3BC2B103.0°104.2°
C4BC3BO3B110.6°110.6°
C4BC3BH3B113.8°110.5°
O4BC1BC2B105.7°104.8°
O4BC1BN1U109.2°110.5°
O4BC1BH1B113.6°110.4°
C2BC1BN1U113.4°110.4°
C2BC1BH1B109.4°110.3°
C1BC2BC3B102.7°104.0°
C1BC2BHU21113.2°110.5°
C1BC2BHU22111.8°110.5°
N1UC1BH1B105.9°110.4°
C1BN1UC6U121.8°119.7°
C1BN1UC2U117.4°119.7°
C3BC2BHU21113.2°110.5°
C3BC2BHU22111.8°110.5°
C2BC3BO3B111.9°110.5°
C2BC3BH3B112.6°110.5°
HU21C2BHU22104.4°110.6°
O3BC3BH3B105.2°110.4°
C6UN1UC2U120.8°120.6°
N1UC6UC5U122.7°119.7°
N1UC6UH6U118.7°120.1°
N1UC2UO2U123.3°119.6°
N1UC2UN3U114.9°120.9°
C5UC6UH6U118.7°120.2°
C6UC5UC4U119.6°119.1°
C6UC5UH5U120.2°120.5°
O2UC2UN3U121.8°119.5°
C2UN3UC4U127.3°120.3°
C2UN3UHN3U115.9°119.8°
C4UN3UHN3U116.8°119.9°
N3UC4UO4U118.7°120.3°
N3UC4UC5U114.7°119.3°
O4UC4UC5U125.7°120.4°
C4UC5UH5U120.2°120.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1APAO2AO5D125.8°120.0°
O1APAO2AO3A119.8°120.0°
O1APAO5DO3A119.5°120.0°
O1APAO2AHOA289.8°180.0°
O1APAO5DC5D47.8°55.0°
O1APAO3APB138.8°45.0°
O2APAO5DO3A114.1°120.0°
O2APAO5DC5D174.3°65.0°
O2APAO3APB16.0°75.0°
O5DPAO2AHOA2144.4°60.0°
O5DPAO3APB99.5°165.0°
PAO5DC5DC4D132.8°180.0°
PAO5DC5DHA51107.8°60.0°
PAO5DC5DHA5212.8°60.1°
O3APAO2AHOA230.0°60.0°
O3APAO5DC5D71.6°175.0°
PAO3APBO1B54.5°40.0°
PAO3APBO2B177.3°80.0°
PAO3APBO3B66.4°160.0°
O5DC5DC4DHA51119.4°120.0°
O5DC5DC4DHA52120.0°119.9°
O5DC5DHA51HA52119.7°120.0°
O5DC5DC4DO4D66.1°66.4°
O5DC5DC4DC3D50.8°178.2°
O5DC5DC4DH4D169.9°55.8°
O1BPBO2BO3A120.6°120.0°
O1BPBO2BO3B129.4°120.0°
O1BPBO3AO3B120.8°120.0°
O1BPBO2BHOB295.0°180.0°
O1BPBO3BC3B14.4°54.9°
O2BPBO3AO3B110.9°119.9°
O2BPBO3BC3B146.9°65.0°
O3APBO2BHOB225.7°60.0°
O3APBO3BC3B101.8°175.0°
O3BPBO2BHOB2135.6°60.0°
PBO3BC3BC4B175.8°121.9°
PBO3BC3BC2B61.6°123.3°
PBO3BC3BH3B60.9°0.7°
C4AN9AC8AC1D178.5°180.0°
N9AC4AN3AC5A179.4°179.7°
N9AC4AN3AC2A179.9°180.0°
N9AC4AC5AC6A179.6°179.6°
N9AC4AC5AN7A0.6°0.5°
C4AN9AC8AN7A1.4°0.0°
C4AN9AC8AH8A178.6°179.9°
C4AN9AC1DO4D75.6°157.9°
C4AN9AC1DC2D51.8°86.6°
C4AN9AC1DH1D163.8°35.6°
C8AN9AC4AN3A179.4°180.0°
C8AN9AC4AC5A1.1°0.3°
N9AC8AN7AC5A1.0°0.3°
N9AC8AN7AH8A180.0°179.9°
C8AN9AC1DO4D106.3°22.0°
C8AN9AC1DC2D126.3°93.5°
C8AN9AC1DH1D14.3°144.3°
C1DN9AC4AN3A2.3°0.0°
C1DN9AC4AC5A177.3°179.8°
C1DN9AC8AN7A177.1°179.9°
C1DN9AC8AH8A2.9°0.0°
N9AC1DO4DC4D148.6°159.3°
N9AC1DO4DC2D133.1°118.9°
N9AC1DO4DH1D112.8°122.2°
N9AC1DC2DH1D111.0°122.2°
N9AC1DC2DO2D119.2°98.5°
N9AC1DC2DC3D119.9°142.8°
N9AC1DC2DH2D1.9°24.2°
C4AN3AC2AN1A0.0°0.1°
C4AN3AC2AH2A180.0°180.0°
N3AC4AC5AC6A0.1°0.6°
N3AC4AC5AN7A179.9°179.7°
C5AC4AN3AC2A0.5°0.2°
C4AC5AC6AN1A0.8°0.6°
C4AC5AC6AN6A178.7°179.7°
C4AC5AC6AN7A179.8°178.9°
C4AC5AN7AC8A0.3°0.5°
N3AC2AN1AH2A180.0°179.9°
N3AC2AN1AC6A0.9°0.1°
C2AN1AC6AN6A178.3°180.0°
C2AN1AC6AC5A1.2°0.3°
H2AC2AN1AC6A179.1°180.0°
N1AC6AN6AC5A179.5°179.8°
N1AC6AN6AH6A180.9°0.0°
N1AC6AN6AH6A239.1°179.7°
N1AC6AC5AN7A179.0°179.5°
C6AN6AH6A1H6A2120.0°179.8°
N6AC6AC5AN7A1.5°0.8°
C5AC6AN6AH6A198.7°179.7°
C5AC6AN6AH6A2141.3°0.5°
C6AC5AN7AC8A179.5°179.5°
C5AN7AC8AH8A179.0°179.8°
C4DC5DHA51HA52119.6°120.0°
C5DC4DO4DC3D124.9°118.9°
C5DC4DO4DH4D115.8°122.2°
C5DC4DC3DH4D115.7°122.3°
C5DC4DO4DC1D157.9°159.5°
C5DC4DC3DC2D157.4°143.0°
C5DC4DC3DO3D80.5°98.3°
C5DC4DC3DH3D34.6°24.2°
HA51C5DC4DO4D53.3°173.6°
HA51C5DC4DC3D170.2°58.1°
HA51C5DC4DH4D70.7°64.2°
HA52C5DC4DO4D173.9°53.5°
HA52C5DC4DC3D69.2°61.9°
HA52C5DC4DH4D49.9°175.7°
O4DC4DC3DH4D124.0°118.9°
C4DO4DC1DC2D15.5°40.4°
C4DO4DC1DH1D98.6°78.4°
O4DC4DC3DC2D37.1°24.1°
O4DC4DC3DO3D159.3°142.8°
O4DC4DC3DH3D85.7°94.7°
C3DC4DO4DC1D32.9°40.5°
C4DC3DC2DC1D27.3°0.2°
C4DC3DC2DO2D92.0°118.8°
C4DC3DC2DO3D124.7°118.7°
C4DC3DC2DH3D120.2°118.7°
C4DC3DC2DH2D150.6°118.7°
C4DC3DO3DH3D119.8°122.6°
C4DC3DO3DHD3151.6°180.0°
H4DC4DO4DC1D86.4°78.4°
H4DC4DC3DC2D86.9°94.8°
H4DC4DC3DO3D35.3°23.9°
H4DC4DC3DH3D150.3°146.5°
O4DC1DC2DH1D120.9°118.9°
O4DC1DC2DO2D112.6°142.6°
O4DC1DC2DC3D8.3°23.8°
O4DC1DC2DH2D130.1°94.7°
C1DC2DO2DC3D114.2°114.7°
C1DC2DO2DH2D123.6°122.7°
C1DC2DC3DH2D123.3°118.5°
C1DC2DO2DHD282.5°176.2°
C1DC2DC3DO3D151.9°118.8°
C1DC2DC3DH3D92.9°118.6°
H1DC1DC2DO2D8.3°23.7°
H1DC1DC2DC3D129.2°95.1°
H1DC1DC2DH2D109.1°146.4°
O2DC2DC3DH2D117.4°122.6°
O2DC2DC3DO3D32.7°0.1°
O2DC2DC3DH3D147.8°122.5°
C3DC2DO2DHD2163.3°61.5°
C2DC3DO3DH3D122.6°122.7°
C2DC3DO3DHD334.0°65.3°
H2DC2DO2DHD241.1°61.1°
H2DC2DC3DO3D84.8°122.7°
H2DC2DC3DH3D30.4°0.0°
H3DC3DO3DHD388.6°57.4°
O5BC5BC4BHU51119.6°119.9°
O5BC5BC4BHU52120.0°120.1°
O5BC5BHU51HU52119.7°120.0°
O5BC5BC4BO4B46.0°66.5°
O5BC5BC4BC3B73.0°178.1°
O5BC5BC4BH4B168.6°55.8°
HB5O5BC5BC4B71.5°180.0°
HB5O5BC5BHU5148.2°60.0°
HB5O5BC5BHU52168.5°59.9°
C4BC5BHU51HU52119.8°120.0°
C5BC4BO4BC3B124.2°119.1°
C5BC4BO4BH4B117.2°122.2°
C5BC4BC3BH4B117.1°122.4°
C5BC4BO4BC1B125.3°159.5°
C5BC4BC3BC2B99.9°142.7°
C5BC4BC3BO3B140.4°98.5°
C5BC4BC3BH3B22.3°24.0°
HU51C5BC4BO4B73.6°173.6°
HU51C5BC4BC3B167.4°58.1°
HU51C5BC4BH4B49.0°64.2°
HU52C5BC4BO4B166.0°53.6°
HU52C5BC4BC3B47.0°61.9°
HU52C5BC4BH4B71.4°175.8°
O4BC4BC3BH4B122.7°118.7°
C4BO4BC1BC2B22.4°40.4°
C4BO4BC1BN1U144.6°159.3°
C4BO4BC1BH1B97.5°78.4°
O4BC4BC3BC2B20.3°23.8°
O4BC4BC3BO3B99.4°142.5°
O4BC4BC3BH3B142.5°95.0°
C3BC4BO4BC1B1.1°40.3°
C4BC3BC2BC1B32.7°0.1°
C4BC3BC2BO3B118.8°118.8°
C4BC3BC2BH3B123.0°118.7°
C4BC3BC2BHU2189.8°118.5°
C4BC3BC2BHU22152.7°118.7°
C4BC3BO3BH3B123.3°122.6°
H4BC4BO4BC1B117.5°78.3°
H4BC4BC3BC2B143.0°94.9°
H4BC4BC3BO3B23.3°23.8°
H4BC4BC3BH3B94.8°146.3°
O4BC1BC2BN1U119.5°119.0°
O4BC1BC2BH1B122.6°118.8°
O4BC1BN1UH1B122.6°122.4°
O4BC1BC2BC3B34.5°23.9°
O4BC1BC2BHU2188.0°94.6°
O4BC1BC2BHU22154.5°142.6°
O4BC1BN1UC6U45.6°129.6°
O4BC1BN1UC2U136.1°50.1°
C2BC1BN1UH1B119.9°122.2°
C1BC2BC3BHU21122.5°118.6°
C1BC2BC3BHU22120.0°118.7°
C1BC2BHU21HU22121.8°122.7°
C1BC2BC3BO3B86.1°118.7°
C1BC2BC3BH3B155.7°118.8°
C2BC1BN1UC6U71.9°115.0°
C2BC1BN1UC2U106.4°65.3°
N1UC1BC2BC3B154.0°142.9°
N1UC1BC2BHU2131.6°24.3°
N1UC1BC2BHU2286.0°98.5°
C1BN1UC6UC2U178.2°179.8°
C1BN1UC6UC5U175.8°179.9°
C1BN1UC6UH6U4.2°0.0°
C1BN1UC2UO2U2.4°0.3°
C1BN1UC2UN3U176.8°179.8°
H1BC1BC2BC3B88.1°94.9°
H1BC1BC2BHU21149.4°146.6°
H1BC1BC2BHU2231.9°23.8°
H1BC1BN1UC6U168.2°7.2°
H1BC1BN1UC2U13.5°172.5°
C3BC2BHU21HU22121.8°122.7°
C2BC3BO3BH3B122.5°122.6°
HU21C2BC3BO3B151.4°122.7°
HU21C2BC3BH3B33.2°0.2°
HU22C2BC3BO3B33.9°0.1°
HU22C2BC3BH3B84.3°122.5°
N1UC6UC5UH6U180.0°179.9°
C6UN1UC2UO2U179.3°180.0°
C6UN1UC2UN3U1.6°0.5°
N1UC6UC5UC4U0.6°0.1°
N1UC6UC5UH5U179.4°180.0°
C2UN1UC6UC5U2.4°0.2°
C2UN1UC6UH6U177.6°179.7°
N1UC2UO2UN3U179.1°179.5°
N1UC2UN3UC4U1.2°0.5°
N1UC2UN3UHN3U178.8°179.7°
C6UC5UC4UN3U1.9°0.0°
C6UC5UC4UO4U167.8°180.0°
C6UC5UC4UH5U180.0°179.9°
H6UC6UC5UC4U179.4°180.0°
H6UC6UC5UH5U0.6°0.1°
O2UC2UN3UC4U178.0°180.0°
O2UC2UN3UHN3U2.0°0.2°
C2UN3UC4UHN3U180.0°179.7°
C2UN3UC4UO4U167.6°179.7°
C2UN3UC4UC5U2.9°0.3°
N3UC4UO4UC5U169.4°180.0°
N3UC4UC5UH5U178.1°179.9°
HN3UN3UC4UO4U12.4°0.0°
HN3UN3UC4UC5U177.1°180.0°
O4UC4UC5UH5U12.1°0.1°

222624

PDB entries from 2024-07-17

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