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8PA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1IC1Nsing1.40Å1.40ÅAromatic
C1IH1Ising1.08Å1.08Å
C1GC1Idoub1.38Å1.41ÅAromatic
C1GC1Hsing1.38Å1.41ÅAromatic
C1GH1Gsing1.08Å1.08Å
C1HN1Kdoub1.32Å1.35ÅAromatic
C1HH1Hsing1.08Å1.08Å
N1KC1Jsing1.32Å1.34ÅAromatic
C1JH1Jsing1.08Å1.08Å
C1NC1Jdoub1.40Å1.40ÅAromatic
C1NC1Fsing1.48Å1.41Å
C1FH1Fsing1.08Å1.08Å
C1EC1Fdoub1.33Å1.34Å
C1EC1Msing1.51Å1.42Å
C1EH1Esing1.08Å1.08Å
C1MC1Qsing1.51Å1.52Å
O1DC1Msing1.43Å1.39Å
C1QN3doub1.29Å1.38ÅAromatic
C1QS1sing1.71Å1.77ÅAromatic
S1C5sing1.76Å1.75ÅAromatic
C5C6sing1.51Å1.51Å
C6C7sing1.53Å1.55Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C7O7sing1.43Å1.47Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
O7P1Asing1.61Å1.55Å
P1AO2Asing1.61Å1.52Å
O2AHO2Asing0.97Å0.95Å
O1AP1Adoub1.48Å1.49Å
O3AP1Asing1.61Å1.56Å
O3AP1Bsing1.61Å1.68Å
P1BO3Bsing1.61Å1.49Å
P1BO1Bsing1.61Å1.53Å
O2BP1Bdoub1.48Å1.53Å
O1BHO1Bsing0.97Å0.95Å
O3BHO3Bsing0.97Å0.95Å
C4C5doub1.34Å1.39ÅAromatic
C4C4Msing1.51Å1.54Å
C4MH4Msing1.09Å1.10Å
C4MH4MAsing1.09Å1.10Å
C4MH4MBsing1.09Å1.10Å
N3C4sing1.32Å1.35ÅAromatic
C7SN3sing1.47Å1.47Å
C7SH7Ssing1.09Å1.10Å
C7SH7SAsing1.09Å1.10Å
C5SC7Ssing1.51Å1.53Å
C5SC6Ssing1.38Å1.37ÅAromatic
C6SH6Ssing1.08Å1.08Å
N1SC6Sdoub1.33Å1.36ÅAromatic
C2SN1Ssing1.32Å1.34ÅAromatic
C2MC2Ssing1.51Å1.55Å
C2MH2Msing1.09Å1.10Å
C2MH2MAsing1.09Å1.10Å
C2MH2MBsing1.09Å1.10Å
N3SC2Sdoub1.32Å1.33ÅAromatic
N3SC4Ssing1.33Å1.33ÅAromatic
C4SC5Sdoub1.40Å1.40ÅAromatic
N4SC4Ssing1.39Å1.31Å
N4SHN4Ssing0.97Å1.00Å
N4SHN4Asing0.97Å1.00Å
C1MH25sing1.09Å1.10Å
O1DH26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1NC1IH1I121.9°120.8°
C1NC1IC1G116.2°118.3°
C1IC1NC1J121.1°118.8°
C1IC1NC1F126.2°120.6°
H1IC1IC1G121.9°120.8°
C1IC1GC1H120.1°119.3°
C1IC1GH1G120.0°120.4°
C1HC1GH1G119.9°120.4°
C1GC1HN1K121.4°121.1°
C1GC1HH1H119.3°119.4°
N1KC1HH1H119.3°119.5°
C1HN1KC1J119.6°121.8°
N1KC1JH1J119.3°119.7°
N1KC1JC1N121.4°120.6°
H1JC1JC1N119.3°119.7°
C1JC1NC1F112.5°120.6°
C1NC1FH1F115.5°120.0°
C1NC1FC1E129.0°120.0°
H1FC1FC1E115.5°120.0°
C1FC1EC1M122.2°120.0°
C1FC1EH1E118.9°120.0°
C1MC1EH1E118.9°120.0°
C1EC1MC1Q127.7°109.4°
C1EC1MO1D114.0°109.4°
C1EC1MH2586.1°109.5°
C1QC1MO1D116.4°109.5°
C1MC1QN3128.1°124.9°
C1MC1QS1118.8°124.9°
C1QC1MH2578.1°109.5°
O1DC1MH25123.1°109.5°
C1MO1DH26109.5°114.0°
N3C1QS1109.9°110.1°
C1QN3C4115.2°117.1°
C1QN3C7S124.9°121.4°
C1QS1C590.3°90.3°
S1C5C6119.9°126.0°
S1C5C4110.7°107.9°
C5C6C7115.7°109.5°
C5C6H6107.5°109.5°
C5C6H6A106.1°109.5°
C6C5C4129.4°126.1°
C7C6H6107.5°109.4°
C7C6H6A106.0°109.5°
C6C7O7104.8°109.4°
C6C7H7111.1°109.5°
C6C7H7A112.1°109.5°
H6C6H6A114.4°109.5°
O7C7H7111.0°109.5°
O7C7H7A112.1°109.4°
C7O7P1A119.2°123.0°
H7C7H7A105.9°109.5°
O7P1AO2A106.0°109.4°
O7P1AO1A113.4°109.5°
O7P1AO3A105.4°109.5°
P1AO2AHO2A109.5°114.0°
O2AP1AO1A117.7°109.5°
O2AP1AO3A108.8°109.5°
O1AP1AO3A105.0°109.5°
P1AO3AP1B131.6°134.0°
O3AP1BO3B104.5°109.5°
O3AP1BO1B107.5°109.4°
O3AP1BO2B104.8°109.5°
O3BP1BO1B113.5°109.5°
O3BP1BO2B112.7°109.5°
P1BO3BHO3B109.5°114.0°
O1BP1BO2B113.0°109.5°
P1BO1BHO1B109.5°114.0°
C5C4C4M123.0°122.7°
C5C4N3114.0°114.5°
C4C4MH4M109.5°109.5°
C4C4MH4MA109.5°109.4°
C4C4MH4MB109.4°109.5°
C4MC4N3123.0°122.8°
H4MC4MH4MA109.4°109.5°
H4MC4MH4MB109.4°109.5°
H4MAC4MH4MB109.5°109.5°
C4N3C7S119.8°121.5°
N3C7SH7S107.8°109.5°
N3C7SH7SA106.6°109.4°
N3C7SC5S114.6°109.4°
H7SC7SH7SA113.6°109.5°
H7SC7SC5S107.8°109.5°
H7SAC7SC5S106.6°109.5°
C7SC5SC6S116.4°120.9°
C7SC5SC4S127.2°120.8°
C5SC6SH6S118.7°120.4°
C5SC6SN1S122.6°119.2°
C6SC5SC4S116.2°118.3°
H6SC6SN1S118.7°120.4°
C6SN1SC2S117.2°121.0°
N1SC2SC2M118.2°119.1°
N1SC2SN3S122.7°121.9°
C2SC2MH2M109.5°109.5°
C2SC2MH2MA109.5°109.5°
C2SC2MH2MB109.5°109.5°
C2MC2SN3S118.7°119.0°
H2MC2MH2MA109.5°109.5°
H2MC2MH2MB109.5°109.4°
H2MAC2MH2MB109.5°109.5°
C2SN3SC4S120.4°120.7°
N3SC4SC5S120.6°119.0°
N3SC4SN4S117.2°120.5°
C5SC4SN4S122.2°120.5°
C4SN4SHN4S109.5°120.0°
C4SN4SHN4A109.4°120.0°
HN4SN4SHN4A109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1NC1IH1IC1G180.0°179.7°
C1NC1IC1GC1H2.2°0.0°
C1NC1IC1GH1G177.8°179.9°
C1IC1NC1JN1K1.9°0.0°
C1IC1NC1JH1J178.1°180.0°
C1IC1NC1JC1F175.6°179.7°
C1IC1NC1FH1F134.2°0.0°
C1IC1NC1FC1E45.8°180.0°
H1IC1IC1GC1H177.8°179.8°
H1IC1IC1GH1G2.2°0.4°
H1IC1IC1NC1J177.4°179.7°
H1IC1IC1NC1F2.4°0.0°
C1IC1GC1HH1G180.0°179.9°
C1IC1GC1HN1K1.1°0.1°
C1IC1GC1HH1H179.0°180.0°
C1GC1IC1NC1J2.6°0.0°
C1GC1IC1NC1F177.6°179.7°
C1GC1HN1KH1H180.0°180.0°
C1GC1HN1KC1J0.2°0.0°
H1GC1GC1HN1K178.9°179.9°
H1GC1GC1HH1H1.1°0.1°
C1HN1KC1JH1J179.4°180.0°
C1HN1KC1JC1N0.7°0.0°
H1HC1HN1KC1J179.8°180.0°
N1KC1JH1JC1N180.0°180.0°
N1KC1JC1NC1F177.6°179.7°
H1JC1JC1NC1F2.5°0.3°
C1JC1NC1FH1F41.1°179.7°
C1JC1NC1FC1E138.8°0.3°
C1NC1FH1FC1E180.0°180.0°
C1NC1FC1EC1M177.9°174.6°
C1NC1FC1EH1E2.1°5.4°
H1FC1FC1EC1M2.1°5.4°
H1FC1FC1EH1E177.9°174.6°
C1FC1EC1MH1E180.0°180.0°
C1FC1EC1MC1Q66.8°125.2°
C1FC1EC1MO1D129.6°114.8°
C1FC1EC1MH254.9°5.1°
C1EC1MC1QO1D163.2°119.9°
C1EC1MC1QH2575.5°120.0°
C1EC1MO1DH25101.6°120.0°
C1EC1MC1QN3168.6°104.6°
C1EC1MC1QS111.2°75.7°
C1EC1MO1DH2637.2°60.0°
H1EC1EC1MC1Q113.1°54.9°
H1EC1EC1MO1D50.4°65.1°
H1EC1EC1MH25175.1°174.9°
C1QC1MO1DH2592.8°120.0°
C1MC1QN3S1159.1°179.7°
C1MC1QS1C5159.9°179.9°
C1MC1QN3C4158.4°179.8°
C1MC1QN3C7S25.0°0.1°
C1QC1MO1DH26157.3°59.9°
O1DC1MC1QN35.4°135.4°
O1DC1MC1QS1152.0°44.2°
N3C1QS1C51.4°0.3°
C1QN3C4C50.8°0.5°
C1QN3C4C4M178.6°179.8°
C1QN3C4C7S176.8°179.8°
C1QN3C7SH7S148.0°34.7°
C1QN3C7SH7SA25.7°154.7°
C1QN3C7SC5S92.0°85.3°
N3C1QC1MH25115.9°15.4°
C1QS1C5C6177.4°180.0°
C1QS1C5C41.9°0.0°
S1C1QN3C40.6°0.5°
S1C1QN3C7S175.9°179.7°
S1C1QC1MH2586.7°164.2°
S1C5C6C4179.1°180.0°
S1C5C6C774.9°90.0°
S1C5C6H645.1°29.9°
S1C5C6H6A167.9°150.0°
S1C5C4C4M177.5°180.0°
S1C5C4N31.9°0.3°
C5C6C7H6120.0°120.0°
C5C6C7H6A117.2°120.0°
C5C6H6H6A117.5°120.0°
C5C6C7O7178.1°180.0°
C5C6C7H758.1°60.1°
C5C6C7H7A60.2°60.0°
C6C5C4C4M3.3°0.0°
C6C5C4N3177.2°179.7°
C7C6H6H6A117.4°120.0°
C6C7O7H7120.0°120.0°
C6C7O7H7A121.8°120.0°
C6C7H7H7A121.9°120.1°
C6C7O7P1A166.2°180.0°
C7C6C5C4106.0°90.0°
H6C6C7O761.9°60.0°
H6C6C7H7178.1°180.0°
H6C6C7H7A59.9°60.0°
H6C6C5C4134.0°150.1°
H6AC6C7O760.9°60.0°
H6AC6C7H759.1°60.0°
H6AC6C7H7A177.4°179.9°
H6AC6C5C411.2°30.0°
O7C7H7H7A121.9°120.0°
C7O7P1AO2A162.8°65.0°
C7O7P1AO1A32.2°55.0°
C7O7P1AO3A82.0°175.0°
H7C7O7P1A73.8°60.0°
H7AC7O7P1A44.4°60.0°
O7P1AO2AO1A128.0°120.0°
O7P1AO2AO3A112.9°120.0°
O7P1AO2AHO2A24.9°60.0°
O7P1AO1AO3A114.5°120.0°
O7P1AO3AP1B55.5°160.0°
O2AP1AO1AO3A121.1°120.0°
O2AP1AO3AP1B57.8°80.1°
HO2AO2AP1AO1A103.1°180.0°
HO2AO2AP1AO3A137.8°59.9°
O1AP1AO3AP1B175.4°40.0°
P1AO3AP1BO3B159.2°75.0°
P1AO3AP1BO1B38.2°165.0°
P1AO3AP1BO2B82.2°45.0°
O3AP1BO3BO1B116.9°119.9°
O3AP1BO3BO2B113.2°120.0°
O3AP1BO1BO2B115.1°120.0°
O3AP1BO1BHO1B81.5°180.0°
O3AP1BO3BHO3B94.1°59.9°
O3BP1BO1BO2B129.8°120.0°
O3BP1BO1BHO1B163.4°60.0°
O1BP1BO3BHO3B22.8°60.0°
O2BP1BO1BHO1B33.6°60.0°
O2BP1BO3BHO3B152.7°180.0°
C5C4C4MN3179.4°179.7°
C5C4C4MH4M167.2°85.3°
C5C4C4MH4MA72.8°154.8°
C5C4C4MH4MB47.2°34.8°
C5C4N3C7S177.6°179.7°
C4C4MH4MH4MA120.0°119.9°
C4C4MH4MH4MB120.0°120.0°
C4C4MH4MAH4MB120.0°120.0°
C4MC4N3C7S1.9°0.0°
H4MC4MH4MAH4MB120.0°120.0°
H4MC4MC4N313.4°94.4°
H4MAC4MC4N3106.6°25.6°
H4MBC4MC4N3133.4°145.6°
C4N3C7SH7S35.6°145.0°
C4N3C7SH7SA157.8°25.0°
C4N3C7SC5S84.4°95.0°
N3C7SH7SH7SA117.9°120.0°
N3C7SH7SC5S124.2°120.0°
N3C7SH7SAC5S122.9°119.9°
N3C7SC5SC6S125.7°61.5°
N3C7SC5SC4S58.5°118.3°
H7SC7SH7SAC5S118.6°120.1°
H7SC7SC5SC6S5.7°178.5°
H7SC7SC5SC4S178.5°1.7°
H7SAC7SC5SC6S116.6°58.4°
H7SAC7SC5SC4S59.2°121.8°
C7SC5SC6SC4S176.3°179.8°
C7SC5SC6SH6S3.8°0.0°
C7SC5SC6SN1S176.2°180.0°
C7SC5SC4SN3S177.3°179.7°
C7SC5SC4SN4S1.0°0.3°
C5SC6SH6SN1S180.0°180.0°
C5SC6SN1SC2S3.8°0.0°
C6SC5SC4SN3S1.5°0.5°
C6SC5SC4SN4S176.8°180.0°
H6SC6SN1SC2S176.3°180.0°
H6SC6SC5SC4S179.9°179.8°
C6SN1SC2SC2M179.1°180.0°
C6SN1SC2SN3S6.2°0.0°
N1SC6SC5SC4S0.1°0.3°
N1SC2SC2MN3S173.2°180.0°
N1SC2SC2MH2M101.5°89.9°
N1SC2SC2MH2MA138.5°150.0°
N1SC2SC2MH2MB18.5°29.9°
N1SC2SN3SC4S4.8°0.2°
C2SC2MH2MH2MA120.0°120.1°
C2SC2MH2MH2MB120.0°119.9°
C2SC2MH2MAH2MB120.0°120.0°
C2MC2SN3SC4S177.7°179.8°
H2MC2MH2MAH2MB120.0°119.9°
H2MC2MC2SN3S71.7°90.0°
H2MAC2MC2SN3S48.3°30.0°
H2MBC2MC2SN3S168.3°150.1°
C2SN3SC4SC5S0.7°0.5°
C2SN3SC4SN4S179.1°179.9°
N3SC4SC5SN4S178.3°179.5°
N3SC4SN4SHN4S99.5°9.3°
N3SC4SN4SHN4A20.5°170.9°
C5SC4SN4SHN4S82.2°171.3°
C5SC4SN4SHN4A157.9°8.6°
C4SN4SHN4SHN4A120.0°179.9°
H25C1MO1DH2664.4°180.0°

222624

PDB entries from 2024-07-17

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