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R48

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1SC5doub1.40Å1.42ÅAromatic
C6C5sing1.42Å1.41ÅAromatic
C5C4sing1.42Å1.41ÅAromatic
C1SC2Bsing1.38Å1.41ÅAromatic
C1SH1Ssing1.08Å1.08Å
N1EC2Bsing1.40Å1.37Å
C2BC1Mdoub1.40Å1.41ÅAromatic
N1EHN1Esing0.97Å1.00Å
N1EHN1Asing0.97Å1.00Å
C1MC1Psing1.36Å1.42ÅAromatic
C1MH1Msing1.08Å1.08Å
C4C1Pdoub1.40Å1.42ÅAromatic
C1PH1Psing1.08Å1.08Å
C4N3sing1.34Å1.36ÅAromatic
C2N3doub1.31Å1.33ÅAromatic
N1C2sing1.32Å1.34ÅAromatic
C2H2sing1.08Å1.08Å
C6N1doub1.33Å1.36ÅAromatic
N1YC6sing1.38Å1.36Å
C2DN1Ysing1.40Å1.35Å
N1YHN1Ysing0.97Å1.00Å
C1QC2Ddoub1.39Å1.41ÅAromatic
C2DC1Jsing1.39Å1.39ÅAromatic
C2CC1Qsing1.39Å1.40ÅAromatic
C1QH1Qsing1.08Å1.08Å
C1GC1Jdoub1.38Å1.40ÅAromatic
C1JH1Jsing1.08Å1.08Å
C1IC1Gsing1.38Å1.41ÅAromatic
C1GH1Gsing1.08Å1.08Å
C2CC1Idoub1.39Å1.39ÅAromatic
C1IH1Ising1.08Å1.08Å
N1WC2Csing1.40Å1.37Å
N1WC1Zsing1.35Å1.34Å
N1WHN1Wsing0.97Å1.00Å
N1XC1Zsing1.35Å1.36Å
C1ZO1Fdoub1.22Å1.23Å
C2GN1Xsing1.39Å1.35Å
N1XHN1Xsing0.97Å1.00Å
N2KC2Gsing1.36Å1.36ÅAromatic
C2GC1Rdoub1.36Å1.36ÅAromatic
C2FC1Rsing1.40Å1.36ÅAromatic
C1RH1Rsing1.08Å1.08Å
N1VC2Fdoub1.31Å1.33ÅAromatic
C2FC2Lsing1.51Å1.53Å
C1DC2Lsing1.53Å1.56Å
C2LC1Bsing1.53Å1.52Å
C2LC1Csing1.53Å1.58Å
C1CH1Csing1.09Å1.10Å
C1CH1CAsing1.09Å1.10Å
C1CH1CBsing1.09Å1.10Å
C1DH1Dsing1.09Å1.10Å
C1DH1DAsing1.09Å1.10Å
C1DH1DBsing1.09Å1.10Å
C1BH1Bsing1.09Å1.10Å
C1BH1BAsing1.09Å1.10Å
C1BH1BBsing1.09Å1.10Å
N2KN1Vsing1.40Å1.26ÅAromatic
C2EN2Ksing1.40Å1.35ÅAromatic
C1OC2Edoub1.39Å1.41ÅAromatic
C1NC2Esing1.39Å1.40ÅAromatic
C1KC1Ndoub1.38Å1.41ÅAromatic
C1NH1Nsing1.08Å1.08Å
C2AC1Ksing1.38Å1.40ÅAromatic
C1KH1Ksing1.08Å1.08Å
C1AC2Asing1.51Å1.55Å
C2AC1Ldoub1.38Å1.41ÅAromatic
C1AH1Asing1.09Å1.10Å
C1AH1AAsing1.09Å1.10Å
C1AH1ABsing1.09Å1.10Å
C1LC1Osing1.38Å1.42ÅAromatic
C1LH1Lsing1.08Å1.08Å
C1OH1Osing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1SC5C6121.6°122.0°
C1SC5C4119.9°119.8°
C5C1SC2B121.4°119.4°
C5C1SH1S119.3°120.3°
C6C5C4118.5°118.2°
C5C6N1117.9°118.2°
C5C6N1Y119.8°120.9°
C5C4C1P119.0°119.5°
C5C4N3119.5°118.7°
C2BC1SH1S119.3°120.3°
C1SC2BN1E119.7°119.7°
C1SC2BC1M118.5°120.5°
N1EC2BC1M121.8°119.7°
C2BN1EHN1E109.5°120.0°
C2BN1EHN1A109.4°120.0°
C2BC1MC1P120.6°121.0°
C2BC1MH1M119.7°119.5°
HN1EN1EHN1A109.5°120.0°
C1PC1MH1M119.7°119.6°
C1MC1PC4120.6°119.8°
C1MC1PH1P119.7°120.0°
C4C1PH1P119.7°120.1°
C1PC4N3121.5°121.8°
C4N3C2120.5°120.4°
N3C2N1121.5°123.0°
N3C2H2119.3°118.5°
N1C2H2119.2°118.5°
C2N1C6122.1°121.5°
N1C6N1Y122.3°121.0°
C6N1YC2D127.5°120.0°
C6N1YHN1Y116.2°120.0°
C2DN1YHN1Y116.3°120.0°
N1YC2DC1Q119.1°120.0°
N1YC2DC1J121.4°120.0°
C1QC2DC1J119.5°120.0°
C2DC1QC2C121.8°119.8°
C2DC1QH1Q119.1°120.1°
C2DC1JC1G119.4°120.1°
C2DC1JH1J120.3°119.9°
C2CC1QH1Q119.1°120.0°
C1QC2CC1I117.7°120.0°
C1QC2CN1W124.8°120.0°
C1GC1JH1J120.3°120.0°
C1JC1GC1I120.5°120.1°
C1JC1GH1G119.7°119.9°
C1IC1GH1G119.8°119.9°
C1GC1IC2C121.1°120.1°
C1GC1IH1I119.5°119.9°
C2CC1IH1I119.5°120.0°
C1IC2CN1W117.4°120.0°
C2CN1WC1Z128.8°120.0°
C2CN1WHN1W115.6°120.0°
C1ZN1WHN1W115.6°120.0°
N1WC1ZN1X117.0°120.0°
N1WC1ZO1F121.5°120.0°
N1XC1ZO1F121.4°120.0°
C1ZN1XC2G130.0°120.0°
C1ZN1XHN1X115.0°120.0°
C2GN1XHN1X115.0°120.0°
N1XC2GN2K127.6°126.3°
N1XC2GC1R124.9°126.3°
N2KC2GC1R106.7°107.5°
C2GN2KN1V109.5°107.8°
C2GN2KC2E127.4°126.1°
C2GC1RC2F106.1°107.9°
C2GC1RH1R127.0°126.1°
C2FC1RH1R126.9°126.0°
C1RC2FN1V107.6°108.4°
C1RC2FC2L127.7°125.8°
N1VC2FC2L124.5°125.8°
C2FN1VN2K110.0°108.4°
C2FC2LC1D110.7°109.5°
C2FC2LC1B115.3°109.5°
C2FC2LC1C107.1°109.5°
C1DC2LC1B108.7°109.5°
C1DC2LC1C108.3°109.4°
C2LC1DH1D109.5°109.4°
C2LC1DH1DA109.5°109.4°
C2LC1DH1DB109.5°109.5°
C1BC2LC1C106.4°109.5°
C2LC1BH1B109.5°109.5°
C2LC1BH1BA109.4°109.5°
C2LC1BH1BB109.5°109.5°
C2LC1CH1C109.5°109.5°
C2LC1CH1CA109.5°109.5°
C2LC1CH1CB109.5°109.5°
H1CC1CH1CA109.5°109.5°
H1CC1CH1CB109.4°109.4°
H1CAC1CH1CB109.5°109.5°
H1DC1DH1DA109.4°109.5°
H1DC1DH1DB109.5°109.4°
H1DAC1DH1DB109.5°109.5°
H1BC1BH1BA109.5°109.4°
H1BC1BH1BB109.5°109.5°
H1BAC1BH1BB109.5°109.4°
N1VN2KC2E123.1°126.1°
N2KC2EC1O124.4°120.1°
N2KC2EC1N117.3°120.0°
C1OC2EC1N118.3°119.9°
C2EC1OC1L120.8°119.9°
C2EC1OH1O119.6°120.0°
C2EC1NC1K120.9°119.9°
C2EC1NH1N119.5°120.1°
C1KC1NH1N119.6°120.0°
C1NC1KC2A121.2°120.1°
C1NC1KH1K119.4°120.0°
C2AC1KH1K119.4°119.9°
C1KC2AC1A119.8°120.0°
C1KC2AC1L118.6°120.1°
C1AC2AC1L121.7°119.9°
C2AC1AH1A109.5°109.5°
C2AC1AH1AA109.5°109.4°
C2AC1AH1AB109.4°109.4°
C2AC1LC1O120.2°120.1°
C2AC1LH1L119.9°119.9°
H1AC1AH1AA109.4°109.5°
H1AC1AH1AB109.4°109.5°
H1AAC1AH1AB109.5°109.5°
C1OC1LH1L119.9°120.0°
C1LC1OH1O119.6°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1SC5C6C4179.8°179.6°
C5C1SC2BH1S180.0°180.0°
C5C1SC2BN1E179.9°180.0°
C5C1SC2BC1M0.4°0.0°
C1SC5C4C1P0.0°0.1°
C1SC5C4N3178.9°180.0°
C1SC5C6N1179.6°179.8°
C1SC5C6N1Y0.2°0.4°
C6C5C1SC2B179.5°179.7°
C6C5C1SH1S0.5°0.4°
C6C5C4C1P179.9°179.7°
C6C5C4N31.3°0.3°
C5C6N1C20.3°0.6°
C5C6N1N1Y179.8°179.4°
C5C6N1YC2D163.7°175.6°
C5C6N1YHN1Y16.2°4.5°
C4C5C1SC2B0.4°0.0°
C4C5C1SH1S179.6°180.0°
C5C4C1PC1M0.4°0.1°
C5C4C1PN3178.8°180.0°
C5C4C1PH1P179.6°179.9°
C5C4N3C21.8°0.1°
C4C5C6N10.6°0.6°
C4C5C6N1Y179.6°180.0°
C1SC2BN1EC1M179.7°180.0°
C1SC2BN1EHN1E1.0°0.1°
C1SC2BN1EHN1A119.0°180.0°
C1SC2BC1MC1P0.0°0.0°
C1SC2BC1MH1M180.0°180.0°
H1SC1SC2BN1E0.1°0.0°
H1SC1SC2BC1M179.6°180.0°
C2BN1EHN1EHN1A120.0°179.9°
N1EC2BC1MC1P179.7°180.0°
N1EC2BC1MH1M0.3°0.0°
C1MC2BN1EHN1E178.6°179.9°
C1MC2BN1EHN1A61.3°0.0°
C2BC1MC1PH1M180.0°180.0°
C2BC1MC1PC40.4°0.0°
C2BC1MC1PH1P179.7°180.0°
C1MC1PC4H1P180.0°180.0°
C1MC1PC4N3179.2°180.0°
H1MC1MC1PC4179.6°180.0°
H1MC1MC1PH1P0.3°0.0°
C1PC4N3C2179.4°180.0°
H1PC1PC4N30.8°0.0°
C4N3C2N11.5°0.0°
C4N3C2H2178.5°180.0°
N3C2N1H2180.0°180.0°
N3C2N1C60.8°0.3°
C2N1C6N1Y179.9°180.0°
H2C2N1C6179.3°179.7°
N1C6N1YC2D16.4°3.8°
N1C6N1YHN1Y163.6°176.1°
C6N1YC2DHN1Y180.0°179.9°
C6N1YC2DC1Q129.7°35.1°
C6N1YC2DC1J51.0°145.1°
N1YC2DC1QC1J179.2°179.8°
N1YC2DC1QC2C179.9°180.0°
N1YC2DC1QH1Q0.1°0.0°
N1YC2DC1JC1G179.7°180.0°
N1YC2DC1JH1J0.3°0.0°
HN1YN1YC2DC1Q50.3°144.8°
HN1YN1YC2DC1J128.9°35.0°
C2DC1QC2CH1Q180.0°180.0°
C1QC2DC1JC1G0.5°0.3°
C1QC2DC1JH1J179.5°179.7°
C2DC1QC2CC1I0.4°0.0°
C2DC1QC2CN1W179.3°180.0°
C1JC2DC1QC2C0.9°0.3°
C1JC2DC1QH1Q179.2°179.7°
C2DC1JC1GH1J180.0°180.0°
C2DC1JC1GC1I0.4°0.0°
C2DC1JC1GH1G179.7°180.0°
C1QC2CC1IC1G0.4°0.3°
C1QC2CC1IN1W179.0°180.0°
C1QC2CC1IH1I179.5°179.9°
C1QC2CN1WC1Z50.7°144.9°
C1QC2CN1WHN1W129.3°35.2°
H1QC1QC2CC1I179.6°180.0°
H1QC1QC2CN1W0.7°0.0°
C1JC1GC1IH1G180.0°180.0°
C1JC1GC1IC2C0.8°0.2°
C1JC1GC1IH1I179.2°179.9°
H1JC1JC1GC1I179.7°180.0°
H1JC1JC1GH1G0.3°0.0°
C1GC1IC2CH1I180.0°179.7°
C1GC1IC2CN1W178.5°179.8°
H1GC1GC1IC2C179.2°179.8°
H1GC1GC1IH1I0.8°0.1°
C1IC2CN1WC1Z130.4°35.1°
C1IC2CN1WHN1W49.6°144.8°
H1IC1IC2CN1W1.5°0.1°
C2CN1WC1ZHN1W180.0°179.9°
C2CN1WC1ZN1X178.9°175.7°
C2CN1WC1ZO1F2.0°4.2°
N1WC1ZN1XO1F177.0°179.9°
N1WC1ZN1XC2G173.4°180.0°
N1WC1ZN1XHN1X6.5°0.1°
HN1WN1WC1ZN1X1.1°4.4°
HN1WN1WC1ZO1F178.1°175.7°
C1ZN1XC2GHN1X180.0°180.0°
C1ZN1XC2GN2K168.3°179.7°
C1ZN1XC2GC1R23.1°0.1°
O1FC1ZN1XC2G9.6°0.1°
O1FC1ZN1XHN1X170.4°180.0°
N1XC2GN2KC1R170.3°179.7°
N1XC2GC1RC2F174.9°180.0°
N1XC2GC1RH1R5.1°0.1°
N1XC2GN2KN1V174.1°179.9°
N1XC2GN2KC2E8.0°0.0°
HN1XN1XC2GN2K11.7°0.3°
HN1XN1XC2GC1R156.9°179.9°
N2KC2GC1RC2F4.3°0.3°
N2KC2GC1RH1R175.7°179.8°
C2GN2KN1VC2F1.7°0.4°
C2GN2KN1VC2E178.0°179.9°
C2GN2KC2EC1O48.8°35.3°
C2GN2KC2EC1N132.9°145.0°
C2GC1RC2FH1R180.0°179.9°
C2GC1RC2FN1V3.4°0.1°
C2GC1RC2FC2L178.0°180.0°
C1RC2GN2KN1V3.8°0.4°
C1RC2GN2KC2E178.3°179.7°
C1RC2FN1VC2L174.8°180.0°
C1RC2FC2LC1D172.2°45.0°
C1RC2FC2LC1B48.2°75.0°
C1RC2FC2LC1C69.9°165.0°
C1RC2FN1VN2K1.1°0.2°
H1RC1RC2FN1V176.6°179.9°
H1RC1RC2FC2L2.0°0.1°
N1VC2FC2LC1D14.1°135.0°
N1VC2FC2LC1B138.0°105.0°
N1VC2FC2LC1C103.9°15.0°
C2FN1VN2KC2E179.7°179.7°
C2FC2LC1DC1B127.6°120.0°
C2FC2LC1DC1C117.2°120.0°
C2FC2LC1BC1C118.6°120.0°
C2FC2LC1CH1C101.6°60.0°
C2FC2LC1CH1CA18.4°180.0°
C2FC2LC1CH1CB138.5°60.0°
C2FC2LC1DH1D172.4°60.0°
C2FC2LC1DH1DA67.7°180.0°
C2FC2LC1DH1DB52.4°60.0°
C2FC2LC1BH1B54.4°60.0°
C2FC2LC1BH1BA65.6°180.0°
C2FC2LC1BH1BB174.4°60.0°
C2LC2FN1VN2K175.9°179.7°
C1DC2LC1BC1C116.4°120.0°
C1DC2LC1CH1C138.9°60.0°
C1DC2LC1CH1CA101.0°60.0°
C1DC2LC1CH1CB19.0°180.0°
C2LC1DH1DH1DA120.0°120.0°
C2LC1DH1DH1DB120.0°120.0°
C2LC1DH1DAH1DB120.0°120.0°
C1DC2LC1BH1B70.5°180.0°
C1DC2LC1BH1BA169.4°60.0°
C1DC2LC1BH1BB49.4°60.0°
C1BC2LC1CH1C22.2°180.0°
C1BC2LC1CH1CA142.3°60.0°
C1BC2LC1CH1CB97.7°60.0°
C1BC2LC1DH1D44.7°60.0°
C1BC2LC1DH1DA164.7°60.0°
C1BC2LC1DH1DB75.3°180.0°
C2LC1BH1BH1BA120.0°120.0°
C2LC1BH1BH1BB120.0°120.0°
C2LC1BH1BAH1BB120.0°120.0°
C2LC1CH1CH1CA120.0°120.0°
C2LC1CH1CH1CB120.0°120.0°
C2LC1CH1CAH1CB120.0°120.0°
C1CC2LC1DH1D70.4°180.0°
C1CC2LC1DH1DA49.6°60.0°
C1CC2LC1DH1DB169.6°60.1°
C1CC2LC1BH1B173.0°60.0°
C1CC2LC1BH1BA53.0°60.0°
C1CC2LC1BH1BB67.0°180.0°
H1CC1CH1CAH1CB119.9°120.0°
H1DC1DH1DAH1DB120.0°120.0°
H1BC1BH1BAH1BB120.0°120.0°
N1VN2KC2EC1O128.8°144.9°
N1VN2KC2EC1N49.5°34.8°
N2KC2EC1OC1N178.3°179.7°
N2KC2EC1NC1K179.7°180.0°
N2KC2EC1NH1N0.2°0.1°
N2KC2EC1OC1L179.0°179.8°
N2KC2EC1OH1O1.0°0.2°
C1OC2EC1NC1K1.3°0.3°
C1OC2EC1NH1N178.6°179.8°
C2EC1OC1LC2A0.9°0.5°
C2EC1OC1LH1O180.0°179.5°
C2EC1OC1LH1L179.1°179.7°
C2EC1NC1KH1N180.0°180.0°
C2EC1NC1KC2A0.3°0.0°
C2EC1NC1KH1K179.7°180.0°
C1NC2EC1OC1L0.8°0.5°
C1NC2EC1OH1O179.2°179.9°
C1NC1KC2AH1K180.0°179.9°
C1NC1KC2AC1A179.9°180.0°
C1NC1KC2AC1L1.3°0.0°
H1NC1NC1KC2A179.7°180.0°
H1NC1NC1KH1K0.3°0.0°
C1KC2AC1AC1L178.5°179.9°
C1KC2AC1AH1A78.3°90.0°
C1KC2AC1AH1AA41.7°150.0°
C1KC2AC1AH1AB161.7°30.0°
C1KC2AC1LC1O1.9°0.2°
C1KC2AC1LH1L178.1°180.0°
H1KC1KC2AC1A0.1°0.1°
H1KC1KC2AC1L178.7°180.0°
C2AC1AH1AH1AA120.0°120.0°
C2AC1AH1AH1AB120.0°120.0°
C2AC1AH1AAH1AB120.0°119.9°
C1AC2AC1LC1O179.6°179.7°
C1AC2AC1LH1L0.4°0.1°
C1LC2AC1AH1A100.2°90.0°
C1LC2AC1AH1AA139.8°30.1°
C1LC2AC1AH1AB19.7°150.0°
C2AC1LC1OH1L180.0°179.8°
C2AC1LC1OH1O179.1°180.0°
H1AC1AH1AAH1AB120.0°120.1°
H1LC1LC1OH1O0.9°0.2°

219869

PDB entries from 2024-05-15

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