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NIU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CACA2sing1.40Å1.43ÅAromatic
CACA6doub1.38Å1.38ÅAromatic
CACG1sing1.51Å1.55Å
CA2OA2doub1.22Å1.18Å
CA2OA3sing1.34Å1.36ÅAromatic
OA3CA4sing1.35Å1.40ÅAromatic
CA4CA5doub1.33Å1.41ÅAromatic
CA4CD1sing1.52Å1.54Å
CA5CA6sing1.41Å1.41ÅAromatic
CA5CD5sing1.51Å1.51Å
CA6OA6sing1.35Å1.38Å
OA6HO6sing0.97Å0.95Å
CB1CB2doub1.38Å1.42ÅAromatic
CB1CB6sing1.38Å1.43ÅAromatic
CB1CG1sing1.51Å1.54Å
CB2CB3sing1.38Å1.41ÅAromatic
CB2HB2sing1.08Å1.10Å
CB3CB4doub1.38Å1.41ÅAromatic
CB3HB3sing1.08Å1.10Å
CB4CB5sing1.38Å1.40ÅAromatic
CB4HB4sing1.08Å1.10Å
CB5CB6doub1.38Å1.41ÅAromatic
CB5HB5sing1.08Å1.10Å
CB6HB6sing1.08Å1.10Å
CG1CG2sing1.53Å1.54Å
CG1HG1sing1.09Å1.11Å
CG2CG3sing1.53Å1.53Å
CG2HG21sing1.09Å1.12Å
CG2HG22sing1.09Å1.11Å
CG3HG31sing1.09Å1.11Å
CG3HG32sing1.09Å1.12Å
CG3HG33sing1.09Å1.12Å
CD1CD2sing1.53Å1.53Å
CD1HD11sing1.09Å1.11Å
CD1HD12sing1.09Å1.11Å
CD2CD3sing1.52Å1.54Å
CD2HD21sing1.09Å1.11Å
CD2HD22sing1.09Å1.11Å
CD3CD4sing1.52Å1.55Å
CD3HD31sing1.09Å1.12Å
CD3HD32sing1.09Å1.11Å
CD4CD5sing1.53Å1.54Å
CD4HD41sing1.09Å1.12Å
CD4HD42sing1.09Å1.11Å
CD5HD51sing1.09Å1.11Å
CD5HD52sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CA2CACA6119.3°118.9°
CA2CACG1122.2°120.6°
CACA2OA2120.6°120.0°
CACA2OA3123.3°120.2°
CA6CACG1118.4°120.6°
CACA6CA5120.1°118.3°
CACA6OA6117.3°120.9°
CACG1CB1114.5°109.5°
CACG1CG2115.8°109.4°
CACG1HG1103.1°109.4°
OA2CA2OA3116.0°119.8°
CA2OA3CA4115.6°121.2°
OA3CA4CA5124.7°121.1°
OA3CA4CD1113.3°119.0°
CA5CA4CD1122.0°120.0°
CA4CA5CA6116.9°120.3°
CA4CA5CD5121.3°120.4°
CA4CD1CD2118.6°108.6°
CA4CD1HD11108.9°109.7°
CA4CD1HD12108.9°109.6°
CA6CA5CD5121.8°119.3°
CA5CA6OA6122.6°120.8°
CA5CD5CD4113.2°108.6°
CA5CD5HD51110.8°109.6°
CA5CD5HD52110.8°109.6°
CA6OA6HO6117.2°106.8°
CB2CB1CB6119.5°120.0°
CB2CB1CG1119.6°120.0°
CB1CB2CB3119.5°120.0°
CB1CB2HB2120.7°120.0°
CB6CB1CG1120.9°120.0°
CB1CB6CB5119.7°120.0°
CB1CB6HB6120.9°120.0°
CB1CG1CG2115.7°109.5°
CB1CG1HG1103.3°109.5°
CB3CB2HB2119.8°120.0°
CB2CB3CB4120.7°120.0°
CB2CB3HB3119.6°120.1°
CB4CB3HB3119.6°120.0°
CB3CB4CB5119.7°120.0°
CB3CB4HB4120.5°120.0°
CB5CB4HB4119.8°120.0°
CB4CB5CB6120.9°120.0°
CB4CB5HB5119.3°120.0°
CB6CB5HB5119.8°120.0°
CB5CB6HB6119.4°120.0°
CG2CG1HG1101.6°109.4°
CG1CG2CG3116.9°109.5°
CG1CG2HG21109.5°109.5°
CG1CG2HG22109.5°109.5°
CG3CG2HG21109.5°109.5°
CG3CG2HG22109.5°109.5°
CG2CG3HG31117.0°109.4°
CG2CG3HG32109.5°109.4°
CG2CG3HG33109.5°109.4°
HG21CG2HG22100.7°109.4°
HG31CG3HG32109.5°109.5°
HG31CG3HG33109.4°109.5°
HG32CG3HG33100.6°109.5°
CD2CD1HD11109.0°109.5°
CD2CD1HD12109.0°109.6°
CD1CD2CD3116.1°110.9°
CD1CD2HD21109.8°109.1°
CD1CD2HD22109.8°109.2°
HD11CD1HD12101.2°109.8°
CD3CD2HD21109.8°109.2°
CD3CD2HD22109.8°109.2°
CD2CD3CD4115.5°114.0°
CD2CD3HD31110.0°108.6°
CD2CD3HD32110.1°108.5°
HD21CD2HD22100.5°109.1°
CD4CD3HD31110.0°108.6°
CD4CD3HD32110.0°108.7°
CD3CD4CD5115.8°110.8°
CD3CD4HD41109.9°109.2°
CD3CD4HD42109.9°109.2°
HD31CD3HD32100.2°108.3°
CD5CD4HD41109.9°109.2°
CD5CD4HD42109.9°109.2°
CD4CD5HD51110.9°109.6°
CD4CD5HD52110.8°109.6°
HD41CD4HD42100.3°109.2°
HD51CD5HD5299.5°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CA2CACA6CG1176.8°179.7°
CACA2OA2OA3178.0°179.4°
CACA2OA3CA40.2°0.6°
CA2CACA6CA50.5°0.3°
CA2CACA6OA6178.5°179.7°
CA2CACG1CB157.2°73.7°
CA2CACG1CG281.4°46.3°
CA2CACG1HG1168.7°166.2°
CA6CACA2OA2178.3°180.0°
CA6CACA2OA30.4°0.5°
CACA6CA5CA40.3°0.2°
CACA6CA5OA6178.9°180.0°
CACA6CA5CD5178.9°179.6°
CACA6OA6HO6180.0°3.2°
CA6CACG1CB1119.5°106.0°
CA6CACG1CG2101.9°134.0°
CA6CACG1HG18.0°14.1°
CG1CACA2OA21.7°0.4°
CG1CACA2OA3176.2°179.8°
CG1CACA6CA5176.3°180.0°
CG1CACA6OA64.7°0.0°
CACG1CB1CB274.6°97.8°
CACG1CB1CB6105.8°82.5°
CACG1CB1CG2138.6°120.0°
CACG1CB1HG1111.4°120.0°
CACG1CG2HG1110.9°119.9°
CACG1CG2CG368.3°174.6°
CACG1CG2HG21166.5°65.4°
CACG1CG2HG2257.0°54.6°
OA2CA2OA3CA4178.2°180.0°
CA2OA3CA4CA50.0°0.4°
CA2OA3CA4CD1179.9°179.6°
OA3CA4CA5CD1179.9°179.9°
OA3CA4CA5CA60.0°0.3°
OA3CA4CA5CD5179.1°179.6°
OA3CA4CD1CD2127.9°109.0°
OA3CA4CD1HD112.6°10.7°
OA3CA4CD1HD12106.9°131.3°
CA4CA5CA6CD5179.2°179.8°
CA4CA5CA6OA6178.7°179.8°
CA5CA4CD1CD252.0°71.1°
CA5CA4CD1HD11177.3°169.3°
CA5CA4CD1HD1273.2°48.7°
CA4CA5CD5CD468.6°71.6°
CA4CA5CD5HD5156.7°48.1°
CA4CA5CD5HD52166.2°168.7°
CD1CA4CA5CA6179.9°179.8°
CD1CA4CA5CD50.8°0.4°
CA4CD1CD2HD11125.2°119.7°
CA4CD1CD2HD12125.2°119.8°
CA4CD1HD11HD12114.6°120.5°
CA4CD1CD2CD33.1°85.8°
CA4CD1CD2HD21122.1°34.5°
CA4CD1CD2HD22128.3°153.7°
CA5CA6OA6HO61.1°176.8°
CA6CA5CD5CD4110.5°108.5°
CA6CA5CD5HD51124.2°131.7°
CA6CA5CD5HD5214.7°11.1°
CD5CA5CA6OA62.2°0.4°
CA5CD5CD4CD338.9°85.7°
CA5CD5CD4HD51125.3°119.7°
CA5CD5CD4HD52125.2°119.7°
CA5CD5CD4HD4186.3°34.6°
CA5CD5CD4HD42164.2°154.0°
CA5CD5HD51HD52116.7°120.4°
CB2CB1CB6CG1179.6°179.7°
CB1CB2CB3HB2180.0°179.9°
CB1CB2CB3CB41.0°0.0°
CB1CB2CB3HB3179.0°179.9°
CB2CB1CB6CB51.0°0.5°
CB2CB1CB6HB6179.0°180.0°
CB2CB1CG1CG2146.8°142.2°
CB2CB1CG1HG136.8°22.2°
CB6CB1CB2CB31.1°0.3°
CB6CB1CB2HB2178.9°179.7°
CB1CB6CB5CB40.7°0.5°
CB1CB6CB5HB6180.0°179.5°
CB1CB6CB5HB5179.2°179.8°
CB6CB1CG1CG232.8°37.5°
CB6CB1CG1HG1142.8°157.5°
CG1CB1CB2CB3178.5°180.0°
CG1CB1CB2HB21.5°0.0°
CG1CB1CB6CB5178.6°179.8°
CG1CB1CB6HB61.4°0.3°
CB1CG1CG2HG1111.0°120.1°
CB1CG1CG2CG369.7°65.4°
CB1CG1CG2HG2155.5°54.6°
CB1CG1CG2HG22165.0°174.5°
CB2CB3CB4HB3180.0°179.9°
CB2CB3CB4CB50.7°0.1°
CB2CB3CB4HB4179.3°179.9°
HB2CB2CB3CB4179.1°180.0°
HB2CB2CB3HB31.0°0.1°
CB3CB4CB5HB4180.0°180.0°
CB3CB4CB5CB60.5°0.2°
CB3CB4CB5HB5179.4°180.0°
HB3CB3CB4CB5179.3°180.0°
HB3CB3CB4HB40.7°0.0°
CB4CB5CB6HB5179.9°179.8°
CB4CB5CB6HB6179.3°180.0°
HB4CB4CB5CB6179.5°179.8°
HB4CB4CB5HB50.6°0.0°
HB5CB5CB6HB60.8°0.2°
CG1CG2CG3HG21125.2°120.0°
CG1CG2CG3HG22125.2°120.0°
CG1CG2HG21HG22115.3°120.0°
CG1CG2CG3HG31180.0°180.0°
CG1CG2CG3HG3254.7°60.0°
CG1CG2CG3HG3354.8°60.0°
HG1CG1CG2CG3179.2°54.7°
HG1CG1CG2HG2155.6°174.7°
HG1CG1CG2HG2253.9°65.4°
CG3CG2HG21HG22115.3°120.0°
CG2CG3HG31HG32125.3°119.9°
CG2CG3HG31HG33125.3°120.0°
CG2CG3HG32HG33115.3°120.0°
HG21CG2CG3HG3154.8°60.0°
HG21CG2CG3HG32179.9°60.0°
HG21CG2CG3HG3370.5°180.0°
HG22CG2CG3HG3154.8°60.0°
HG22CG2CG3HG3270.5°179.9°
HG22CG2CG3HG33180.0°60.0°
HG31CG3HG32HG33115.2°120.1°
CD2CD1HD11HD12114.7°120.4°
CD1CD2CD3HD21125.2°120.3°
CD1CD2CD3HD22125.2°120.4°
CD1CD2HD21HD22115.6°119.3°
CD1CD2CD3CD468.9°67.4°
CD1CD2CD3HD3156.3°171.4°
CD1CD2CD3HD32165.8°53.9°
HD11CD1CD2CD3128.3°154.4°
HD11CD1CD2HD213.1°85.3°
HD11CD1CD2HD22106.5°34.0°
HD12CD1CD2CD3122.1°33.9°
HD12CD1CD2HD21112.6°154.2°
HD12CD1CD2HD223.1°86.5°
CD3CD2HD21HD22115.6°119.3°
CD2CD3CD4HD31125.2°121.2°
CD2CD3CD4HD32125.3°121.2°
CD2CD3HD31HD32115.9°117.7°
CD2CD3CD4CD547.1°67.2°
CD2CD3CD4HD41172.3°53.1°
CD2CD3CD4HD4278.2°172.5°
HD21CD2CD3CD4165.9°52.9°
HD21CD2CD3HD3168.9°68.3°
HD21CD2CD3HD3240.6°174.2°
HD22CD2CD3CD456.3°172.2°
HD22CD2CD3HD31178.4°51.0°
HD22CD2CD3HD3268.9°66.5°
CD4CD3HD31HD32115.8°117.9°
CD3CD4CD5HD41125.3°120.3°
CD3CD4CD5HD42125.3°120.3°
CD3CD4HD41HD42115.8°119.3°
CD3CD4CD5HD5186.4°34.0°
CD3CD4CD5HD52164.2°154.6°
HD31CD3CD4CD578.1°171.6°
HD31CD3CD4HD4147.1°68.0°
HD31CD3CD4HD42156.6°51.3°
HD32CD3CD4CD5172.4°53.9°
HD32CD3CD4HD4162.3°174.3°
HD32CD3CD4HD4247.1°66.4°
CD5CD4HD41HD42115.7°119.4°
CD4CD5HD51HD52116.7°120.5°
HD41CD4CD5HD51148.4°154.4°
HD41CD4CD5HD5238.9°85.0°
HD42CD4CD5HD5138.9°86.2°
HD42CD4CD5HD5270.6°34.4°

222415

PDB entries from 2024-07-10

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