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BA3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N9AC8Asing1.36Å1.39ÅAromatic
N9AC4Asing1.37Å1.41ÅAromatic
N9AC1Bsing1.46Å1.51Å
C8AN7Adoub1.30Å1.31ÅAromatic
C8AH8Asing1.08Å1.10Å
N7AC5Asing1.35Å1.38ÅAromatic
C5AC6Asing1.41Å1.37ÅAromatic
C5AC4Adoub1.41Å1.36ÅAromatic
C6AN6Asing1.38Å1.21Å
C6AN1Adoub1.33Å1.40ÅAromatic
N6AH6A1sing0.97Å1.02Å
N6AH6A2sing0.97Å1.02Å
N1AC2Asing1.32Å1.35ÅAromatic
C2AN3Adoub1.32Å1.32ÅAromatic
C2AH2Asing1.08Å1.10Å
N3AC4Asing1.33Å1.35ÅAromatic
O5BC5Bsing1.43Å1.43Å
O5BPEsing1.61Å1.57Å
C5BC4Bsing1.53Å1.45Å
C5BH5B1sing1.09Å1.11Å
C5BH5B2sing1.09Å1.12Å
C4BO4Bsing1.44Å1.38Å
C4BC3Bsing1.54Å1.48Å
C4BH4Bsing1.09Å1.11Å
O4BC1Bsing1.44Å1.42Å
C3BO3Bsing1.43Å1.45Å
C3BC2Bsing1.55Å1.42Å
C3BH3Bsing1.09Å1.11Å
O3BH3sing0.97Å0.95Å
C2BO2Bsing1.43Å1.42Å
C2BC1Bsing1.54Å1.60Å
C2BH2Bsing1.09Å1.12Å
O2BH2sing0.97Å0.95Å
C1BH1Bsing1.09Å1.11Å
PEO1Edoub1.48Å1.46Å
PEO2Esing1.61Å1.49Å
PEO3Esing1.61Å1.56Å
O2EH2Esing0.97Å0.95Å
O3EPFsing1.61Å1.53Å
PFO1Fdoub1.48Å1.45Å
PFO2Fsing1.61Å1.49Å
PFO3Fsing1.61Å1.58Å
O2FH2Fsing0.97Å0.95Å
O3FPGsing1.61Å1.55Å
PGO1Gdoub1.48Å1.56Å
PGO2Gsing1.61Å1.49Å
PGO5Dsing1.61Å1.61Å
O2GH2Gsing0.97Å0.95Å
O5DC5Dsing1.43Å1.49Å
C5DC4Dsing1.53Å1.63Å
C5DH5D1sing1.09Å1.12Å
C5DH5D2sing1.09Å1.11Å
C4DO4Dsing1.44Å1.44Å
C4DC3Dsing1.54Å1.54Å
C4DH4Dsing1.09Å1.11Å
O4DC1Dsing1.44Å1.43Å
C3DO3Dsing1.43Å1.43Å
C3DC2Dsing1.55Å1.47Å
C3DH3Dsing1.09Å1.12Å
O3DH4sing0.97Å0.95Å
C2DO2Dsing1.43Å1.43Å
C2DC1Dsing1.55Å1.58Å
C2DH1sing1.09Å1.12Å
O2DH2Dsing0.97Å0.95Å
C1DN9Gsing1.46Å1.51Å
C1DH1Dsing1.09Å1.11Å
N9GC8Gsing1.36Å1.37ÅAromatic
N9GC4Gsing1.37Å1.39ÅAromatic
C8GN7Gdoub1.30Å1.29ÅAromatic
C8GH8Gsing1.08Å1.10Å
N7GC5Gsing1.35Å1.39ÅAromatic
C5GC6Gsing1.40Å1.43ÅAromatic
C5GC4Gdoub1.41Å1.38ÅAromatic
C6GN6Gsing1.38Å1.24Å
C6GN1Gdoub1.33Å1.40ÅAromatic
N6GH6G1sing0.97Å1.02Å
N6GH6G2sing0.97Å1.02Å
N1GC2Gsing1.32Å1.39ÅAromatic
C2GN3Gdoub1.32Å1.35ÅAromatic
C2GH5sing1.08Å1.10Å
N3GC4Gsing1.33Å1.36ÅAromatic
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C8AN9AC4A103.1°107.5°
C8AN9AC1B125.5°126.3°
N9AC8AN7A114.9°110.0°
N9AC8AH8A125.0°125.0°
C4AN9AC1B131.2°126.3°
N9AC4AC5A106.8°106.0°
N9AC4AN3A127.6°135.0°
N9AC1BO4B108.8°110.4°
N9AC1BC2B121.3°110.4°
N9AC1BH1B99.5°110.3°
N7AC8AH8A120.1°125.0°
C8AN7AC5A103.8°109.4°
N7AC5AC6A128.7°134.7°
N7AC5AC4A111.4°107.1°
C6AC5AC4A119.8°118.2°
C5AC6AN6A125.0°120.8°
C5AC6AN1A114.7°118.5°
C5AC4AN3A125.6°119.0°
N6AC6AN1A120.3°120.8°
C6AN6AH6A1125.1°120.0°
C6AN6AH6A2106.8°120.0°
C6AN1AC2A121.5°121.2°
H6A1N6AH6A2106.7°120.0°
N1AC2AN3A124.5°122.4°
N1AC2AH2A119.3°118.7°
N3AC2AH2A116.2°118.8°
C2AN3AC4A113.9°120.7°
C5BO5BPE118.3°106.8°
O5BC5BC4B111.0°109.5°
O5BC5BH5B1111.6°109.5°
O5BC5BH5B2111.6°109.4°
O5BPEO1E111.7°109.5°
O5BPEO2E106.3°109.5°
O5BPEO3E98.5°109.5°
C4BC5BH5B1111.7°109.5°
C4BC5BH5B2111.6°109.5°
C5BC4BO4B114.0°110.4°
C5BC4BC3B108.8°110.4°
C5BC4BH4B106.8°110.3°
H5B1C5BH5B298.7°109.5°
O4BC4BC3B109.2°104.8°
O4BC4BH4B106.3°110.4°
C4BO4BC1B109.5°105.3°
C3BC4BH4B111.8°110.4°
C4BC3BO3B108.8°110.5°
C4BC3BC2B103.8°104.1°
C4BC3BH3B114.3°110.5°
O4BC1BC2B101.7°104.9°
O4BC1BH1B119.9°110.4°
O3BC3BC2B111.8°110.5°
O3BC3BH3B106.7°110.5°
C3BO3BH3108.8°106.8°
C2BC3BH3B111.5°110.5°
C3BC2BO2B113.3°110.5°
C3BC2BC1B101.9°103.9°
C3BC2BH2B111.9°110.5°
O2BC2BC1B109.2°110.7°
O2BC2BH2B105.0°110.5°
C2BO2BH2113.3°106.8°
C1BC2BH2B115.8°110.5°
C2BC1BH1B106.9°110.4°
O1EPEO2E121.0°109.5°
O1EPEO3E109.6°109.4°
O2EPEO3E107.3°109.5°
PEO2EH2E106.3°106.8°
PEO3EPF132.5°106.8°
O3EPFO1F103.9°109.5°
O3EPFO2F108.7°109.5°
O3EPFO3F105.4°109.5°
O1FPFO2F121.1°109.4°
O1FPFO3F111.8°109.5°
O2FPFO3F105.0°109.5°
PFO2FH2F108.6°106.8°
PFO3FPG137.9°106.8°
O3FPGO1G105.6°109.5°
O3FPGO2G116.6°109.5°
O3FPGO5D105.3°109.5°
O1GPGO2G113.8°109.4°
O1GPGO5D103.7°109.5°
O2GPGO5D110.7°109.4°
PGO2GH2G116.6°106.7°
PGO5DC5D118.7°106.8°
O5DC5DC4D107.9°109.4°
O5DC5DH5D1112.7°109.5°
O5DC5DH5D2112.8°109.4°
C4DC5DH5D1112.8°109.5°
C4DC5DH5D2112.8°109.5°
C5DC4DO4D108.6°109.8°
C5DC4DC3D108.2°109.9°
C5DC4DH4D108.9°109.9°
H5D1C5DH5D297.7°109.5°
O4DC4DC3D102.7°107.4°
O4DC4DH4D113.8°110.0°
C4DO4DC1D110.0°107.0°
C3DC4DH4D114.2°109.8°
C4DC3DO3D111.0°110.8°
C4DC3DC2D101.0°104.0°
C4DC3DH3D114.2°110.4°
O4DC1DC2D104.6°103.5°
O4DC1DN9G111.7°110.7°
O4DC1DH1D114.4°110.6°
O3DC3DC2D110.1°110.5°
O3DC3DH3D105.7°110.4°
C3DO3DH4111.0°106.8°
C2DC3DH3D115.0°110.5°
C3DC2DO2D104.8°110.9°
C3DC2DC1D100.3°102.1°
C3DC2DH1117.6°111.0°
O2DC2DC1D108.6°111.0°
O2DC2DH1110.4°110.7°
C2DO2DH2D104.7°106.8°
C1DC2DH1114.2°110.9°
C2DC1DN9G117.2°110.8°
C2DC1DH1D108.5°110.6°
N9GC1DH1D100.8°110.5°
C1DN9GC8G127.4°126.2°
C1DN9GC4G129.5°126.3°
C8GN9GC4G103.0°107.5°
N9GC8GN7G117.5°109.9°
N9GC8GH8G123.8°125.0°
N9GC4GC5G106.2°106.0°
N9GC4GN3G126.1°135.0°
N7GC8GH8G118.6°125.0°
C8GN7GC5G101.9°109.4°
N7GC5GC6G129.1°134.7°
N7GC5GC4G111.3°107.1°
C6GC5GC4G119.6°118.1°
C5GC6GN6G125.8°120.7°
C5GC6GN1G111.7°118.5°
C5GC4GN3G127.7°119.0°
N6GC6GN1G122.5°120.8°
C6GN6GH6G1125.8°120.0°
C6GN6GH6G2106.5°120.0°
C6GN1GC2G125.3°121.2°
H6G1N6GH6G2106.4°120.0°
N1GC2GN3G122.1°122.4°
N1GC2GH5120.5°118.7°
N3GC2GH5117.4°118.9°
C2GN3GC4G113.6°120.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C8AN9AC4AC1B175.2°180.0°
N9AC8AN7AH8A180.0°180.0°
N9AC8AN7AC5A2.0°0.2°
C8AN9AC4AC5A1.9°0.2°
C8AN9AC4AN3A179.9°179.9°
C8AN9AC1BO4B67.4°27.0°
C8AN9AC1BC2B49.9°88.4°
C8AN9AC1BH1B166.4°149.3°
C4AN9AC8AN7A2.5°0.0°
C4AN9AC8AH8A177.4°180.0°
N9AC4AC5AN7A0.9°0.4°
N9AC4AC5AC6A179.7°179.7°
N9AC4AC5AN3A178.2°179.7°
N9AC4AN3AC2A179.0°180.0°
C4AN9AC1BO4B106.8°153.0°
C4AN9AC1BC2B135.9°91.6°
C4AN9AC1BH1B19.3°30.7°
C1BN9AC8AN7A178.1°180.0°
C1BN9AC8AH8A1.9°0.0°
C1BN9AC4AC5A177.1°179.8°
C1BN9AC4AN3A4.7°0.1°
N9AC1BO4BC4B148.8°159.4°
N9AC1BO4BC2B129.2°118.9°
N9AC1BO4BH1B113.3°122.2°
N9AC1BC2BC3B155.4°142.8°
N9AC1BC2BO2B84.5°98.6°
N9AC1BC2BH1B112.8°122.2°
N9AC1BC2BH2B33.7°24.2°
C8AN7AC5AC6A178.8°179.6°
C8AN7AC5AC4A0.6°0.4°
H8AC8AN7AC5A178.0°179.8°
N7AC5AC6AC4A179.3°179.1°
N7AC5AC6AN6A0.6°0.6°
N7AC5AC6AN1A179.3°179.6°
N7AC5AC4AN3A179.2°179.9°
C5AC6AN6AN1A179.9°179.8°
C5AC6AN6AH6A1180.0°179.7°
C5AC6AN6AH6A254.7°0.5°
C5AC6AN1AC2A1.4°0.2°
C6AC5AC4AN3A1.4°0.5°
C4AC5AC6AN6A178.7°179.7°
C4AC5AC6AN1A1.4°0.5°
C5AC4AN3AC2A1.1°0.3°
C6AN6AH6A1H6A2125.4°179.7°
N6AC6AN1AC2A178.7°180.0°
N1AC6AN6AH6A10.1°0.1°
N1AC6AN6AH6A2125.2°179.7°
C6AN1AC2AN3A1.3°0.0°
C6AN1AC2AH2A178.7°180.0°
N1AC2AN3AH2A180.0°180.0°
N1AC2AN3AC4A1.0°0.0°
H2AC2AN3AC4A178.9°180.0°
O5BC5BC4BH5B1125.3°120.0°
O5BC5BC4BH5B2125.3°119.9°
O5BC5BH5B1H5B2117.5°119.9°
O5BC5BC4BO4B54.9°61.5°
O5BC5BC4BC3B67.2°176.9°
O5BC5BC4BH4B172.0°60.8°
C5BO5BPEO1E47.5°60.1°
C5BO5BPEO2E178.5°60.0°
C5BO5BPEO3E67.6°180.0°
PEO5BC5BC4B154.4°180.0°
PEO5BC5BH5B129.1°59.9°
PEO5BC5BH5B280.3°60.0°
O5BPEO1EO2E126.3°120.0°
O5BPEO1EO3E108.1°120.0°
O5BPEO2EO3E104.6°120.0°
O5BPEO2EH2E180.0°60.0°
O5BPEO3EPF162.8°179.9°
C4BC5BH5B1H5B2117.6°120.1°
C5BC4BO4BC3B121.9°118.9°
C5BC4BO4BH4B117.3°122.3°
C5BC4BC3BH4B117.7°122.2°
C5BC4BO4BC1B120.2°159.5°
C5BC4BC3BO3B141.2°98.4°
C5BC4BC3BC2B99.6°142.9°
C5BC4BC3BH3B22.1°24.3°
H5B1C5BC4BO4B179.8°58.5°
H5B1C5BC4BC3B58.1°56.9°
H5B1C5BC4BH4B62.7°179.2°
H5B2C5BC4BO4B70.3°178.5°
H5B2C5BC4BC3B167.6°63.1°
H5B2C5BC4BH4B46.8°59.2°
O4BC4BC3BH4B117.4°118.9°
O4BC4BC3BO3B93.8°142.8°
O4BC4BC3BC2B25.4°24.1°
O4BC4BC3BH3B147.0°94.6°
C4BO4BC1BC2B19.7°40.5°
C4BO4BC1BH1B97.8°78.4°
C3BC4BO4BC1B1.7°40.5°
C4BC3BO3BC2B114.1°114.7°
C4BC3BO3BH3B123.8°122.7°
C4BC3BC2BH3B123.5°118.7°
C4BC3BO3BH3180.0°180.0°
C4BC3BC2BO2B152.5°118.7°
C4BC3BC2BC1B35.4°0.1°
C4BC3BC2BH2B89.0°118.6°
H4BC4BO4BC1B122.5°78.3°
H4BC4BC3BO3B23.6°23.9°
H4BC4BC3BC2B142.8°94.8°
H4BC4BC3BH3B95.6°146.5°
O4BC1BC2BC3B34.7°23.9°
O4BC1BC2BO2B154.8°142.5°
O4BC1BC2BH1B126.5°118.9°
O4BC1BC2BH2B87.0°94.7°
O3BC3BC2BH3B119.4°122.6°
O3BC3BC2BO2B35.4°0.0°
O3BC3BC2BC1B81.8°118.8°
O3BC3BC2BH2B153.9°122.7°
C2BC3BO3BH365.9°65.3°
C3BC2BO2BC1B112.8°114.6°
C3BC2BO2BH2B122.4°122.6°
C3BC2BC1BH2B121.7°118.6°
C3BC2BO2BH2180.0°61.5°
C3BC2BC1BH1B91.8°95.0°
H3BC3BO3BH356.2°57.3°
H3BC3BC2BO2B84.0°122.6°
H3BC3BC2BC1B158.9°118.6°
H3BC3BC2BH2B34.5°0.0°
O2BC2BC1BH2B118.2°122.8°
O2BC2BC1BH1B28.3°23.6°
C1BC2BO2BH267.1°176.2°
H2BC2BO2BH257.6°61.1°
H2BC2BC1BH1B146.5°146.4°
O1EPEO2EO3E126.7°120.0°
O1EPEO2EH2E51.3°180.0°
O1EPEO3EPF46.1°60.0°
O2EPEO3EPF87.0°60.0°
O3EPEO2EH2E75.3°60.1°
PEO3EPFO1F159.1°60.0°
PEO3EPFO2F28.9°60.0°
PEO3EPFO3F83.2°180.0°
O3EPFO1FO2F122.3°120.0°
O3EPFO1FO3F113.2°120.0°
O3EPFO2FO3F112.4°120.0°
O3EPFO2FH2F179.9°60.1°
O3EPFO3FPG107.0°180.0°
O1FPFO2FO3F127.6°120.0°
O1FPFO2FH2F60.0°180.0°
O1FPFO3FPG5.3°60.0°
O2FPFO3FPG138.4°60.0°
O3FPFO2FH2F67.6°60.0°
PFO3FPGO1G76.0°59.9°
PFO3FPGO2G51.5°60.0°
PFO3FPGO5D174.6°180.0°
O3FPGO1GO2G129.1°120.0°
O3FPGO1GO5D110.5°120.1°
O3FPGO2GO5D120.3°120.0°
O3FPGO2GH2G180.0°59.9°
O3FPGO5DC5D57.8°180.0°
O1GPGO2GO5D116.4°120.0°
O1GPGO2GH2G56.7°179.9°
O1GPGO5DC5D52.9°60.0°
O2GPGO5DC5D175.4°59.9°
O5DPGO2GH2G59.7°60.1°
PGO5DC5DC4D143.9°179.9°
PGO5DC5DH5D118.7°60.0°
PGO5DC5DH5D290.8°60.0°
O5DC5DC4DH5D1125.2°120.0°
O5DC5DC4DH5D2125.2°119.9°
O5DC5DH5D1H5D2118.7°120.0°
O5DC5DC4DO4D38.7°61.8°
O5DC5DC4DC3D72.1°179.7°
O5DC5DC4DH4D163.2°59.3°
C4DC5DH5D1H5D2118.8°120.0°
C5DC4DO4DC3D114.5°119.4°
C5DC4DO4DH4D121.5°121.1°
C5DC4DC3DH4D121.4°121.0°
C5DC4DO4DC1D137.7°145.9°
C5DC4DC3DO3D85.6°119.9°
C5DC4DC3DC2D157.7°121.4°
C5DC4DC3DH3D33.7°2.8°
H5D1C5DC4DO4D164.0°58.2°
H5D1C5DC4DC3D53.1°59.7°
H5D1C5DC4DH4D71.6°179.3°
H5D2C5DC4DO4D86.5°178.3°
H5D2C5DC4DC3D162.7°60.4°
H5D2C5DC4DH4D38.0°60.6°
O4DC4DC3DH4D123.8°119.6°
O4DC4DC3DO3D159.6°120.7°
O4DC4DC3DC2D42.9°2.0°
O4DC4DC3DH3D81.1°116.6°
C4DO4DC1DC2D4.1°40.1°
C4DO4DC1DN9G123.6°158.8°
C4DO4DC1DH1D122.7°78.4°
C3DC4DO4DC1D23.2°26.5°
C4DC3DO3DC2D111.0°114.8°
C4DC3DO3DH3D124.3°122.7°
C4DC3DC2DH3D123.4°118.6°
C4DC3DO3DH4180.0°176.2°
C4DC3DC2DO2D68.6°139.2°
C4DC3DC2DC1D43.9°20.9°
C4DC3DC2DH1168.3°97.3°
H4DC4DO4DC1D100.8°93.0°
H4DC4DC3DO3D35.8°1.1°
H4DC4DC3DC2D80.9°117.6°
H4DC4DC3DH3D155.1°123.8°
O4DC1DC2DC3D31.0°37.1°
O4DC1DC2DO2D78.5°155.3°
O4DC1DC2DN9G124.2°118.6°
O4DC1DC2DH1D122.5°118.5°
O4DC1DC2DH1157.7°81.2°
O4DC1DN9GH1D121.9°122.9°
O4DC1DN9GC8G6.8°28.6°
O4DC1DN9GC4G170.3°151.7°
O3DC3DC2DH3D119.2°122.5°
O3DC3DC2DO2D48.8°20.3°
O3DC3DC2DC1D161.3°98.0°
O3DC3DC2DH174.3°143.8°
C2DC3DO3DH469.0°61.4°
C3DC2DO2DC1D106.5°112.8°
C3DC2DO2DH1127.5°123.7°
C3DC2DC1DH1126.7°118.3°
C3DC2DO2DH2D180.0°67.3°
C3DC2DC1DN9G93.2°155.7°
C3DC2DC1DH1D153.5°81.4°
H3DC3DO3DH455.7°61.1°
H3DC3DC2DO2D168.0°102.2°
H3DC3DC2DC1D79.5°139.5°
H3DC3DC2DH144.9°21.3°
O2DC2DC1DH1123.7°123.5°
O2DC2DC1DN9G157.3°86.1°
O2DC2DC1DH1D44.0°36.8°
C1DC2DO2DH2D73.5°180.0°
C2DC1DN9GH1D117.5°122.9°
C2DC1DN9GC8G113.7°85.7°
C2DC1DN9GC4G69.1°94.1°
H1C2DO2DH2D52.5°56.4°
H1C2DC1DN9G33.5°37.4°
H1C2DC1DH1D79.8°160.3°
C1DN9GC8GC4G177.7°179.8°
C1DN9GC8GN7G178.6°180.0°
C1DN9GC8GH8G1.4°0.1°
C1DN9GC4GC5G178.5°179.9°
C1DN9GC4GN3G2.1°0.6°
H1DC1DN9GC8G128.8°151.4°
H1DC1DN9GC4G48.4°28.8°
N9GC8GN7GH8G180.0°179.9°
N9GC8GN7GC5G0.5°0.0°
C8GN9GC4GC5G0.8°0.3°
C8GN9GC4GN3G179.7°179.6°
C4GN9GC8GN7G0.8°0.2°
C4GN9GC8GH8G179.2°179.9°
N9GC4GC5GN7G0.6°0.3°
N9GC4GC5GC6G179.7°179.8°
N9GC4GC5GN3G179.4°179.4°
N9GC4GN3GC2G179.4°179.6°
C8GN7GC5GC6G179.8°180.0°
C8GN7GC5GC4G0.1°0.2°
H8GC8GN7GC5G179.5°179.9°
N7GC5GC6GC4G179.6°179.8°
N7GC5GC6GN6G0.6°0.1°
N7GC5GC6GN1G179.9°180.0°
N7GC5GC4GN3G180.0°179.7°
C5GC6GN6GN1G179.3°179.9°
C5GC6GN6GH6G1180.0°180.0°
C5GC6GN6GH6G254.8°0.0°
C5GC6GN1GC2G0.5°0.0°
C6GC5GC4GN3G0.3°0.4°
C4GC5GC6GN6G179.8°179.8°
C4GC5GC6GN1G0.4°0.2°
C5GC4GN3GC2G0.1°0.5°
C6GN6GH6G1H6G2125.3°180.0°
N6GC6GN1GC2G179.9°180.0°
N1GC6GN6GH6G10.7°0.0°
N1GC6GN6GH6G2124.5°180.0°
C6GN1GC2GN3G0.4°0.0°
C6GN1GC2GH5179.6°179.9°
N1GC2GN3GH5180.0°179.9°
N1GC2GN3GC4G0.1°0.3°
H5C2GN3GC4G179.9°179.8°

227111

PDB entries from 2024-11-06

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