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PRD_000279

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAsing1.47Å1.47Å
NHsing1.01Å1.00Å
NH2sing1.01Å1.00Å
CACBsing1.53Å1.52Å
CACsing1.51Å1.53Å
CAHAsing1.09Å1.10Å
CBCGsing1.53Å1.48Å
CBHB2sing1.09Å1.10Å
CBHB3sing1.09Å1.10Å
CGCD1sing1.53Å1.52Å
CGCD2sing1.53Å1.53Å
CGHGsing1.09Å1.10Å
CD1HD11sing1.09Å1.10Å
CD1HD12sing1.09Å1.10Å
CD1HD13sing1.09Å1.10Å
CD2HD21sing1.09Å1.10Å
CD2HD22sing1.09Å1.10Å
CD2HD23sing1.09Å1.10Å
COdoub1.21Å1.23Å
CN1sing1.35Å1.33Å
N1CA1sing1.46Å1.47Å
N1H1sing0.97Å1.00Å
CA1C1sing1.51Å1.53Å
CA1CB1sing1.53Å1.53Å
CA1HA1sing1.09Å1.10Å
C1O1doub1.21Å1.21Å
C1N2sing1.35Å1.33Å
CB1CG1sing1.51Å1.50Å
CB1HB21sing1.09Å1.10Å
CB1HB31sing1.09Å1.10Å
CG1CD11doub1.38Å1.39ÅAromatic
CG1CD21sing1.38Å1.38ÅAromatic
CD11CE1sing1.38Å1.38ÅAromatic
CD11HD1sing1.08Å1.08Å
CD21CE2doub1.38Å1.39ÅAromatic
CD21HD2sing1.08Å1.08Å
CE1CZdoub1.38Å1.40ÅAromatic
CE1HE1sing1.08Å1.08Å
CE2CZsing1.38Å1.40ÅAromatic
CE2HE2sing1.08Å1.08Å
CZHZsing1.08Å1.08Å
C11C2doub1.38Å1.40ÅAromatic
C11C6sing1.38Å1.41ÅAromatic
C11C7sing1.51Å1.53Å
C2C3sing1.38Å1.37ÅAromatic
C2H21sing1.08Å1.08Å
C3C4doub1.38Å1.38ÅAromatic
C3H3sing1.08Å1.08Å
C4C5sing1.38Å1.39ÅAromatic
C4Fsing1.35Å1.34Å
C5C6doub1.38Å1.40ÅAromatic
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7N2sing1.47Å1.46Å
C7H11sing1.09Å1.10Å
C7H2Asing1.09Å1.10Å
N2HN2sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANH109.5°110.9°
CANH2109.5°111.0°
NCACB110.3°109.5°
NCAC111.2°109.4°
NCAHA108.0°109.5°
HNH2109.5°111.0°
CBCAC110.4°109.5°
CBCAHA108.9°109.6°
CACBCG115.0°109.5°
CACBHB2107.6°109.5°
CACBHB3107.6°109.5°
CCAHA107.9°109.5°
CACO120.7°120.0°
CACN1116.2°120.0°
CGCBHB2107.6°109.5°
CGCBHB3107.7°109.5°
CBCGCD1103.2°109.4°
CBCGCD2108.8°109.5°
CBCGHG114.0°109.5°
HB2CBHB3111.3°109.5°
CD1CGCD2110.0°109.5°
CD1CGHG112.9°109.5°
CGCD1HD11109.5°109.4°
CGCD1HD12109.4°109.5°
CGCD1HD13109.5°109.5°
CD2CGHG107.8°109.5°
CGCD2HD21109.5°109.5°
CGCD2HD22109.4°109.5°
CGCD2HD23109.5°109.5°
HD11CD1HD12109.5°109.4°
HD11CD1HD13109.4°109.5°
HD12CD1HD13109.5°109.5°
HD21CD2HD22109.5°109.5°
HD21CD2HD23109.5°109.4°
HD22CD2HD23109.5°109.5°
OCN1122.9°120.0°
CN1CA1121.3°120.0°
CN1H1119.3°120.0°
CA1N1H1119.4°120.0°
N1CA1C1113.9°109.5°
N1CA1CB1111.3°109.4°
N1CA1HA1105.4°109.5°
C1CA1CB1110.7°109.4°
C1CA1HA1106.1°109.5°
CA1C1O1120.6°120.0°
CA1C1N2116.1°119.9°
CB1CA1HA1109.1°109.4°
CA1CB1CG1112.5°109.4°
CA1CB1HB21108.4°109.5°
CA1CB1HB31108.5°109.5°
O1C1N2123.2°120.0°
C1N2C7124.3°119.9°
C1N2HN2117.8°120.1°
CG1CB1HB21108.5°109.5°
CG1CB1HB31108.5°109.5°
CB1CG1CD11119.9°120.0°
CB1CG1CD21121.1°120.0°
HB21CB1HB31110.5°109.5°
CD11CG1CD21119.0°120.0°
CG1CD11CE1120.8°120.0°
CG1CD11HD1119.6°120.0°
CG1CD21CE2120.8°120.0°
CG1CD21HD2119.6°120.0°
CE1CD11HD1119.6°120.0°
CD11CE1CZ120.9°120.0°
CD11CE1HE1119.5°120.0°
CE2CD21HD2119.6°120.0°
CD21CE2CZ120.4°120.0°
CD21CE2HE2119.8°120.0°
CZCE1HE1119.5°120.0°
CE1CZCE2118.0°120.0°
CE1CZHZ121.0°120.0°
CZCE2HE2119.8°120.0°
CE2CZHZ121.0°120.0°
C2C11C6118.3°120.0°
C2C11C7120.6°120.0°
C11C2C3121.2°120.0°
C11C2H21119.4°120.0°
C6C11C7121.1°120.0°
C11C6C5120.4°120.0°
C11C6H6119.8°120.0°
C11C7N2105.6°109.4°
C11C7H11110.8°109.4°
C11C7H2A110.8°109.5°
C3C2H21119.4°120.0°
C2C3C4119.9°120.0°
C2C3H3120.1°120.0°
C4C3H3120.1°120.1°
C3C4C5121.1°120.0°
C3C4F118.1°120.0°
C5C4F120.8°120.0°
C4C5C6119.1°119.9°
C4C5H5120.5°120.1°
C6C5H5120.4°120.0°
C5C6H6119.8°119.9°
N2C7H11110.8°109.5°
N2C7H2A110.8°109.5°
C7N2HN2117.8°120.0°
H11C7H2A108.1°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANHH2120.0°123.9°
NCACBC123.3°119.9°
NCACBHA118.4°120.0°
NCACHA118.3°119.9°
NCACBCG175.4°65.0°
NCACBHB264.6°175.0°
NCACBHB355.4°55.0°
NCACO35.7°20.0°
NCACN1148.9°160.0°
HNCACB180.0°64.0°
HNCAC57.1°176.0°
HNCAHA61.1°56.1°
H2NCACB60.0°59.9°
H2NCAC177.2°60.1°
H2NCAHA58.9°180.0°
CBCACHA118.9°120.1°
CACBCGHB2120.0°120.0°
CACBCGHB3120.0°120.0°
CACBHB2HB3117.7°120.0°
CACBCGCD1172.2°65.0°
CACBCGCD255.4°175.0°
CACBCGHG64.9°55.0°
CBCACO87.1°100.0°
CBCACN188.2°80.1°
CCACBCG61.3°175.0°
CCACBHB258.7°55.0°
CCACBHB3178.7°65.0°
CACON1175.1°180.0°
CACN1CA1179.5°180.0°
CACN1H10.5°0.1°
HACACBCG57.0°55.0°
HACACBHB2177.0°65.0°
HACACBHB363.0°175.0°
HACACO154.0°139.9°
HACACN130.7°40.0°
CGCBHB2HB3117.7°120.0°
CBCGCD1CD2116.0°120.0°
CBCGCD1HG123.6°120.0°
CBCGCD2HG124.1°120.0°
CBCGCD1HD11180.0°180.0°
CBCGCD1HD1260.0°60.1°
CBCGCD1HD1360.0°60.0°
CBCGCD2HD21180.0°60.0°
CBCGCD2HD2260.0°180.0°
CBCGCD2HD2360.0°60.0°
HB2CBCGCD167.8°55.0°
HB2CBCGCD2175.4°65.0°
HB2CBCGHG55.1°175.0°
HB3CBCGCD152.2°175.0°
HB3CBCGCD264.6°55.0°
HB3CBCGHG175.1°65.0°
CD1CGCD2HG123.5°120.0°
CGCD1HD11HD12120.0°120.0°
CGCD1HD11HD13120.0°120.0°
CGCD1HD12HD13120.0°120.1°
CD1CGCD2HD2167.6°179.9°
CD1CGCD2HD2252.4°60.0°
CD1CGCD2HD23172.4°60.0°
CD2CGCD1HD1164.0°60.0°
CD2CGCD1HD12176.0°179.9°
CD2CGCD1HD1356.0°60.0°
CGCD2HD21HD22120.0°120.1°
CGCD2HD21HD23120.0°120.0°
CGCD2HD22HD23120.0°120.0°
HGCGCD1HD1156.4°60.0°
HGCGCD1HD1263.6°59.9°
HGCGCD1HD13176.4°180.0°
HGCGCD2HD2155.9°60.0°
HGCGCD2HD22175.9°60.0°
HGCGCD2HD2364.1°180.0°
HD11CD1HD12HD13120.0°120.0°
HD21CD2HD22HD23120.0°119.9°
OCN1CA14.2°0.0°
OCN1H1175.8°180.0°
CN1CA1H1180.0°180.0°
CN1CA1C154.4°155.0°
CN1CA1CB1179.6°85.0°
CN1CA1HA161.5°35.0°
N1CA1C1CB1126.3°120.0°
N1CA1C1HA1115.5°120.1°
N1CA1CB1HA1115.9°120.0°
N1CA1C1O142.6°0.0°
N1CA1C1N2138.9°180.0°
N1CA1CB1CG172.5°65.0°
N1CA1CB1HB2147.5°55.0°
N1CA1CB1HB31167.5°175.0°
H1N1CA1C1125.6°25.0°
H1N1CA1CB10.4°95.0°
H1N1CA1HA1118.5°145.1°
C1CA1CB1HA1116.4°120.0°
CA1C1O1N2178.3°180.0°
C1CA1CB1CG1159.7°175.0°
C1CA1CB1HB2180.3°65.0°
C1CA1CB1HB3139.8°55.0°
CA1C1N2C7178.8°180.0°
CA1C1N2HN21.2°0.1°
CB1CA1C1O183.6°120.0°
CB1CA1C1N294.8°60.0°
CA1CB1CG1HB21120.0°120.0°
CA1CB1CG1HB31120.0°120.0°
CA1CB1HB21HB31118.7°120.0°
CA1CB1CG1CD1135.7°90.0°
CA1CB1CG1CD21145.7°90.3°
HA1CA1C1O1158.2°120.0°
HA1CA1C1N223.4°59.9°
HA1CA1CB1CG143.4°55.0°
HA1CA1CB1HB21163.4°175.0°
HA1CA1CB1HB3176.6°65.0°
O1C1N2C72.8°0.0°
O1C1N2HN2177.2°180.0°
C1N2C7C1183.2°180.0°
C1N2C7HN2180.0°180.0°
C1N2C7H1136.8°60.1°
C1N2C7H2A156.8°60.0°
CG1CB1HB21HB31118.8°120.0°
CB1CG1CD11CD21178.7°179.7°
CB1CG1CD11CE1177.0°180.0°
CB1CG1CD11HD13.0°0.0°
CB1CG1CD21CE2176.7°180.0°
CB1CG1CD21HD23.3°0.0°
HB21CB1CG1CD11155.6°30.0°
HB21CB1CG1CD2125.7°149.7°
HB31CB1CG1CD1184.3°149.9°
HB31CB1CG1CD2194.3°29.7°
CG1CD11CE1HD1180.0°180.0°
CD11CG1CD21CE21.9°0.3°
CD11CG1CD21HD2178.1°179.7°
CG1CD11CE1CZ0.3°0.1°
CG1CD11CE1HE1179.7°179.9°
CD21CG1CD11CE11.7°0.3°
CD21CG1CD11HD1178.3°179.7°
CG1CD21CE2HD2180.0°180.0°
CG1CD21CE2CZ0.7°0.1°
CG1CD21CE2HE2179.2°180.0°
CD11CE1CZHE1180.0°180.0°
CD11CE1CZCE20.9°0.2°
CD11CE1CZHZ179.1°179.9°
HD1CD11CE1CZ179.7°180.0°
HD1CD11CE1HE10.3°0.0°
CD21CE2CZCE10.6°0.2°
CD21CE2CZHE2180.0°179.9°
CD21CE2CZHZ179.3°179.9°
HD2CD21CE2CZ179.2°179.9°
HD2CD21CE2HE20.8°0.0°
CE1CZCE2HZ180.0°179.9°
CE1CZCE2HE2179.4°179.7°
HE1CE1CZCE2179.1°179.8°
HE1CE1CZHZ0.9°0.0°
HE2CE2CZHZ0.7°0.1°
C2C11C6C7179.2°179.7°
C11C2C3H21180.0°179.9°
C11C2C3C40.2°0.0°
C11C2C3H3179.8°180.0°
C2C11C6C50.1°0.0°
C2C11C6H6179.9°180.0°
C2C11C7N298.8°90.0°
C2C11C7H11141.2°150.0°
C2C11C7H2A21.2°30.0°
C6C11C2C30.4°0.0°
C6C11C2H21179.6°180.0°
C11C6C5C40.3°0.0°
C11C6C5H6180.0°179.9°
C11C6C5H5179.7°180.0°
C6C11C7N282.0°90.3°
C6C11C7H1138.0°29.7°
C6C11C7H2A158.0°149.7°
C7C11C2C3178.8°179.7°
C7C11C2H211.2°0.3°
C7C11C6C5179.1°179.7°
C7C11C6H60.9°0.3°
C11C7N2H11120.0°119.9°
C11C7N2H2A120.0°120.0°
C11C7H11H2A121.6°120.0°
C11C7N2HN296.8°0.0°
C2C3C4H3180.0°180.0°
C2C3C4C50.2°0.0°
C2C3C4F178.9°180.0°
H21C2C3C4179.8°180.0°
H21C2C3H30.3°0.1°
C3C4C5F179.1°180.0°
C3C4C5C60.5°0.0°
C3C4C5H5179.5°180.0°
H3C3C4C5179.8°180.0°
H3C3C4F1.1°0.1°
C4C5C6H5180.0°180.0°
C4C5C6H6179.7°180.0°
FC4C5C6178.6°180.0°
FC4C5H51.4°0.0°
H5C5C6H60.3°0.0°
N2C7H11H2A121.6°120.0°
H11C7N2HN2143.2°120.0°
H2AC7N2HN223.2°120.0°

223532

PDB entries from 2024-08-07

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