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175

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAsing1.48Å1.44Å
NHsing0.99Å1.02Å
NH2sing0.99Å1.02Å
CAC2sing1.52Å1.53Å
CACBsing1.52Å1.53Å
CAHAsing1.10Å1.11Å
C2N2sing1.47Å1.25Å
C2N0sing1.44Å1.43Å
C2HC2sing1.10Å1.12Å
CBHB1sing1.09Å1.12Å
CBHB2sing1.10Å1.11Å
CBHB3sing1.10Å1.11Å
N2C3sing1.47Å1.49Å
N2HN2Asing1.02Å1.02Å
C3C5sing1.51Å1.48Å
C3C4sing1.52Å1.45Å
C3H3sing1.10Å1.11Å
C5O6doub1.22Å1.27Å
C5N0sing1.39Å1.34Å
C4N5sing1.43Å1.50Å
C4H41sing1.08Å1.11Å
C4H42sing1.08Å1.11Å
N0C0sing1.45Å1.50Å
C0Csing1.50Å1.52Å
C0HA1sing1.09Å1.12Å
C0HA2sing1.09Å1.11Å
N5HN51sing1.01Å1.02Å
N5HN52sing1.01Å1.02Å
COdoub1.22Å1.22Å
COXTsing1.36Å136.99Å
OXTHXTsing0.98Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANH109.3°116.9°
CANH2117.3°116.9°
NCAC2117.4°108.9°
NCACB108.9°109.1°
NCAHA104.9°108.0°
HNH2109.4°124.7°
C2CACB111.1°111.7°
C2CAHA102.3°109.4°
CAC2N2129.0°110.9°
CAC2N0117.6°114.4°
CAC2HC254.1°109.7°
CBCAHA111.9°109.7°
CACBHB1112.4°110.9°
CACBHB2108.9°111.4°
CACBHB3112.4°110.7°
N2C2N0113.3°104.1°
N2C2HC281.2°109.8°
C2N2C3111.1°105.8°
C2N2HN2A111.6°108.7°
N0C2HC2153.7°107.8°
C2N0C5104.0°111.9°
C2N0C0115.0°123.0°
HB1CBHB2112.4°108.2°
HB1CBHB398.0°108.0°
HB2CBHB3112.4°107.5°
C3N2HN2A111.6°108.6°
N2C3C598.9°104.3°
N2C3C4130.2°112.2°
N2C3H3131.4°109.6°
C5C3C4130.8°112.3°
C5C3H3129.4°108.2°
C3C5O6122.0°125.5°
C3C5N0112.6°106.1°
C4C3H35.5°110.0°
C3C4N5109.7°110.2°
C3C4H41112.1°109.1°
C3C4H42112.1°109.5°
O6C5N0124.6°128.4°
C5N0C0108.5°124.8°
N5C4H41112.1°109.0°
N5C4H42112.1°109.0°
C4N5HN51112.1°119.8°
C4N5HN52109.7°119.7°
H41C4H4298.3°110.2°
N0C0C148.3°108.6°
N0C0HA199.3°108.9°
N0C0HA299.3°109.1°
CC0HA199.3°109.7°
CC0HA299.3°110.0°
C0CO117.3°126.5°
C0COXT132.2°109.9°
HA1C0HA2107.3°110.6°
HN51N5HN52112.1°119.1°
OCOXT72.6°123.6°
COXTHXT132.2°111.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANHH2129.8°165.5°
NCAC2CB126.3°120.6°
NCAC2HA114.1°117.8°
NCACBHA115.5°118.1°
NCAC2N2109.6°59.2°
NCAC2N065.7°58.2°
NCAC2HC2143.9°179.4°
NCACBHB154.7°0.9°
NCACBHB2180.0°121.4°
NCACBHB354.7°119.0°
HNCAC254.7°75.4°
HNCACB72.7°162.4°
HNCAHA167.4°43.2°
H2NCAC2180.0°117.9°
H2NCACB52.6°4.3°
H2NCAHA67.3°123.4°
C2CACBHA113.7°121.5°
CAC2N2N0175.5°123.5°
CAC2N2HC227.4°121.3°
CAC2N0HC264.3°122.2°
C2CACBHB176.1°119.6°
C2CACBHB249.2°1.0°
C2CACBHB3174.4°120.6°
CAC2N2C3174.3°150.6°
CAC2N2HN2A49.0°34.2°
CAC2N0C5173.3°138.0°
CAC2N0C054.8°48.6°
CBCAC2N216.7°61.4°
CBCAC2N0168.0°178.8°
CBCAC2HC217.6°60.0°
CACBHB1HB2123.4°122.5°
CACBHB1HB3118.3°121.5°
CACBHB2HB3125.2°121.5°
HACAC2N2136.2°176.9°
HACAC2N048.4°59.6°
HACAC2HC2102.0°61.6°
HACACBHB1170.2°119.0°
HACACBHB264.5°120.5°
HACACBHB360.7°0.9°
N2C2N0HC2119.7°116.6°
C2N2C3HN2A125.3°116.5°
C2N2C3C50.6°27.2°
C2N2C3C4179.0°149.0°
C2N2C3H3173.9°88.5°
N2C2N0C52.8°16.8°
N2C2N0C0121.2°169.8°
N0C2N2C31.3°27.0°
N0C2N2HN2A126.5°89.3°
C2N0C5C33.1°0.1°
C2N0C5O6166.9°177.7°
C2N0C5C0122.9°173.2°
C2N0C0C49.6°82.4°
C2N0C0HA1174.9°37.0°
C2N0C0HA275.6°157.8°
HC2C2N2C3158.3°88.1°
HC2C2N2HN2A76.4°155.5°
HC2C2N0C5122.4°99.7°
HC2C2N0C0119.1°73.6°
HB1CBHB2HB3109.5°116.4°
N2C3C5C4178.4°121.7°
N2C3C5H3174.7°116.6°
N2C3C4H3104.8°122.3°
N2C3C5O6167.9°165.3°
N2C3C5N02.4°17.0°
N2C3C4N5155.2°176.7°
N2C3C4H4179.6°57.0°
N2C3C4H4229.9°63.6°
HN2AN2C3C5124.6°89.3°
HN2AN2C3C453.8°32.5°
HN2AN2C3H360.8°155.0°
C5C3C4H377.3°120.6°
C3C5O6N0169.1°177.2°
C5C3C4N526.9°59.6°
C5C3C4H4198.3°60.0°
C5C3C4H42152.2°179.4°
C3C5N0C0126.0°173.1°
C4C3C5O610.5°43.6°
C4C3C5N0179.2°138.7°
C3C4N5H41125.3°119.7°
C3C4N5H42125.3°120.1°
C3C4H41H42118.1°120.2°
C3C4N5HN5154.7°149.7°
C3C4N5HN52180.0°16.8°
H3C3C5O617.4°78.0°
H3C3C5N0172.3°99.7°
H3C3C4N550.4°61.0°
H3C3C4H41175.6°179.3°
H3C3C4H4274.9°58.7°
O6C5N0C044.0°4.5°
C5N0C0C66.3°90.1°
C5N0C0HA159.0°150.5°
C5N0C0HA2168.5°29.8°
N5C4H41H42118.0°119.5°
C4N5HN51HN52123.9°166.7°
H41C4N5HN51180.0°90.6°
H41C4N5HN5254.7°102.8°
H42C4N5HN5170.5°29.7°
H42C4N5HN5254.7°136.9°
N0C0CHA1125.3°119.0°
N0C0CHA2125.3°119.3°
N0C0HA1HA2102.9°119.8°
N0C0CO23.6°31.1°
N0C0COXT114.3°149.0°
CC0HA1HA2102.9°121.4°
C0COOXT129.1°179.9°
C0COXTHXT180.0°179.9°
HA1C0CO148.9°150.0°
HA1C0COXT120.4°30.1°
HA2C0CO101.7°88.2°
HA2C0COXT10.9°91.7°
OCOXTHXT68.7°0.1°

223532

PDB entries from 2024-08-07

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