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PRD_000021

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
COdoub1.21Å1.22Å
NCAsing1.47Å1.50Å
NHNsing1.01Å1.00Å
NHNAsing1.01Å1.00Å
C1CA1sing1.51Å1.50Å
C1O1doub1.21Å1.31Å
N1Csing1.35Å1.31Å
N1CA1sing1.47Å1.47Å
C2CA2sing1.51Å1.53Å
C2O2doub1.21Å1.25Å
N2C1sing1.35Å1.27Å
N2HN2sing0.97Å1.00Å
C3C2sing1.51Å1.22Å
C3CL1sing1.80Å1.77Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
CACsing1.51Å1.52Å
CACBsing1.53Å1.49Å
CAHAsing1.09Å1.10Å
CBCGsing1.51Å1.50Å
CBHBsing1.09Å1.10Å
CBHBAsing1.09Å1.10Å
CDN1sing1.47Å1.48Å
CDCG1sing1.55Å1.51Å
NECD3sing1.47Å1.48Å
NECZ1sing1.38Å1.33Å
NEHNEsing0.97Å1.00Å
CGCD1doub1.38Å1.39ÅAromatic
CGCD2sing1.38Å1.40ÅAromatic
CZHZsing1.08Å1.08Å
CA1HA1sing1.09Å1.10Å
CA2N2sing1.46Å1.46Å
CA2CB2sing1.53Å1.55Å
CA2HA2sing1.09Å1.10Å
CB1CA1sing1.54Å1.56Å
CB1HB1sing1.09Å1.10Å
CB1HB1Asing1.09Å1.10Å
CB2HB2sing1.09Å1.10Å
CB2HB2Asing1.09Å1.10Å
CD1CE1sing1.38Å1.38ÅAromatic
CD1HD1sing1.08Å1.08Å
CD2CE2doub1.38Å1.39ÅAromatic
CD2HD2sing1.08Å1.08Å
CD3CG2sing1.53Å1.49Å
CD3HD3sing1.09Å1.10Å
CD3HD3Asing1.09Å1.10Å
CE1CZdoub1.38Å1.41ÅAromatic
CE1HE1sing1.08Å1.08Å
CE2CZsing1.38Å1.41ÅAromatic
CE2HE2sing1.08Å1.08Å
CG1CB1sing1.55Å1.49Å
CG2CB2sing1.53Å1.50Å
CG2HG2sing1.09Å1.10Å
CG2HG2Asing1.09Å1.10Å
NH1HNH1sing0.97Å1.00Å
NH1HNHAsing0.97Å1.00Å
NH2CZ1doub1.30Å1.34Å
NH2HNH2sing0.97Å1.00Å
CZ1NH1sing1.37Å1.34Å
CDHDsing1.09Å1.10Å
CDH29sing1.09Å1.10Å
CG1HG1sing1.09Å1.10Å
CG1H31sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCN1123.3°120.0°
OCCA118.9°120.0°
CANHN109.5°111.0°
CANHNA109.4°111.1°
NCAC106.8°109.5°
NCACB111.1°109.5°
NCAHA112.6°109.4°
HNNHNA109.5°111.0°
CA1C1O1112.2°120.0°
C1CA1N1121.9°109.9°
CA1C1N2132.9°120.0°
C1CA1HA192.5°109.9°
C1CA1CB1115.9°109.8°
O1C1N2114.8°120.0°
CN1CA1121.9°125.7°
N1CCA117.6°120.0°
CN1CD125.0°125.6°
CA1N1CD113.1°108.7°
N1CA1HA1107.2°109.9°
N1CA1CB1104.3°107.3°
CA2C2O2112.8°120.0°
CA2C2C3126.9°120.0°
C2CA2N2117.6°109.5°
C2CA2CB2103.2°109.5°
C2CA2HA2111.2°109.4°
O2C2C3119.8°120.0°
C1N2HN2117.0°119.9°
C1N2CA2125.9°120.0°
HN2N2CA2117.0°120.0°
C2C3CL1109.5°109.5°
C2C3H3109.5°109.4°
C2C3H3A109.5°109.5°
CL1C3H3109.5°109.5°
CL1C3H3A109.5°109.5°
H3C3H3A109.5°109.5°
CCACB115.9°109.5°
CCAHA107.5°109.5°
CBCAHA102.9°109.4°
CACBCG122.9°109.5°
CACBHB105.2°109.5°
CACBHBA105.2°109.4°
CGCBHB105.2°109.5°
CGCBHBA105.2°109.5°
CBCGCD1120.2°120.0°
CBCGCD2120.6°120.0°
HBCBHBA113.4°109.5°
N1CDCG1105.6°104.8°
N1CDHD110.8°110.4°
N1CDH29110.8°110.4°
CDCG1CB1108.7°101.6°
CG1CDHD110.8°110.3°
CG1CDH29110.8°110.4°
CDCG1HG1109.7°111.0°
CDCG1H31109.7°111.1°
CD3NECZ1126.4°119.9°
CD3NEHNE116.8°120.0°
NECD3CG2112.6°109.4°
NECD3HD3108.4°109.4°
NECD3HD3A108.4°109.5°
CZ1NEHNE116.8°120.1°
NECZ1NH2124.0°119.9°
NECZ1NH1119.1°120.0°
CD1CGCD2118.8°120.0°
CGCD1CE1121.5°120.0°
CGCD1HD1119.2°120.0°
CGCD2CE2120.6°120.0°
CGCD2HD2119.7°120.0°
HZCZCE1120.4°120.0°
HZCZCE2120.3°120.0°
HA1CA1CB1114.6°110.0°
N2CA2CB2116.2°109.5°
N2CA2HA296.4°109.5°
CB2CA2HA2112.7°109.4°
CA2CB2HB2105.8°109.5°
CA2CB2HB2A105.8°109.5°
CA2CB2CG2120.8°109.5°
CA1CB1HB1110.0°110.8°
CA1CB1HB1A109.9°110.7°
CA1CB1CG1108.0°102.9°
HB1CB1HB1A109.0°110.6°
HB1CB1CG1109.9°110.6°
HB1ACB1CG1110.0°111.0°
HB2CB2HB2A112.8°109.5°
HB2CB2CG2105.8°109.4°
HB2ACB2CG2105.9°109.4°
CE1CD1HD1119.3°120.0°
CD1CE1CZ119.6°120.0°
CD1CE1HE1120.2°120.0°
CE2CD2HD2119.7°120.0°
CD2CE2CZ120.1°120.0°
CD2CE2HE2120.0°120.0°
CG2CD3HD3108.4°109.5°
CG2CD3HD3A108.5°109.5°
CD3CG2CB2118.5°109.5°
CD3CG2HG2106.6°109.5°
CD3CG2HG2A106.6°109.5°
HD3CD3HD3A110.5°109.5°
CZCE1HE1120.2°120.0°
CE1CZCE2119.3°120.0°
CZCE2HE2119.9°120.0°
CB1CG1HG1109.7°111.1°
CB1CG1H31109.7°110.9°
CB2CG2HG2106.6°109.5°
CB2CG2HG2A106.6°109.5°
HG2CG2HG2A112.2°109.4°
HNH1NH1HNHA120.0°120.0°
HNH1NH1CZ1120.0°120.0°
HNHANH1CZ1120.0°120.0°
CZ1NH2HNH2112.0°120.0°
NH2CZ1NH1116.9°120.0°
HDCDH29108.1°110.4°
HG1CG1H31109.2°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCCAN39.4°20.0°
OCN1CA174.5°179.8°
OCN1CA13.7°0.0°
OCCACB85.0°100.1°
OCCAHA160.5°139.9°
OCN1CD179.6°179.6°
CANHNHNA120.0°124.0°
NCACN1135.4°160.2°
NCACCB124.4°120.1°
NCACHA121.1°120.0°
NCACBHA120.8°119.9°
NCACBCG154.2°65.0°
NCACBHB34.2°175.0°
NCACBHBA85.8°55.0°
HNNCAC180.0°60.0°
HNNCACB52.7°60.0°
HNNCAHA62.2°180.0°
HNANCAC60.0°63.9°
HNANCACB67.3°176.0°
HNANCAHA177.8°56.1°
CA1C1O1N2178.2°180.0°
C1CA1N1C44.1°59.5°
C1CA1N1HA1104.3°121.0°
C1CA1N1CB1133.7°119.4°
CA1C1N2HN21.2°0.0°
C1CA1N1CD138.9°120.2°
C1CA1HA1CB1120.1°121.0°
CA1C1N2CA2178.9°180.0°
C1CA1CB1HB123.2°21.2°
C1CA1CB1HB1A96.8°144.2°
C1CA1CB1CG1143.2°97.1°
O1C1CA1N1152.0°0.0°
O1C1N2HN2178.9°180.0°
O1C1CA1HA139.9°121.0°
O1C1N2CA21.2°0.0°
O1C1CA1CB179.1°117.8°
CN1CA1CD177.0°179.7°
N1CCACB100.2°79.7°
N1CCAHA14.2°40.3°
CN1CDCG1179.1°155.8°
CN1CA1HA160.3°61.5°
CN1CA1CB1177.8°178.9°
CN1CDHD59.1°85.4°
CN1CDH2960.9°37.0°
N1CA1C1N225.7°180.0°
CA1N1CCA178.2°179.7°
CA1N1CDCG12.2°23.9°
N1CA1HA1CB1115.2°117.9°
N1CA1CB1HB1113.8°140.6°
N1CA1CB1HB1A126.2°96.4°
N1CA1CB1CG16.2°22.3°
CA1N1CDHD117.8°94.9°
CA1N1CDH29122.3°142.7°
CA2C2O2C3173.3°179.9°
C2CA2N2C148.0°85.0°
C2CA2N2HN2132.0°95.0°
CA2C2C3CL1167.9°179.9°
CA2C2C3H372.1°60.0°
CA2C2C3H3A47.9°59.9°
C2CA2N2CB2122.9°120.0°
C2CA2N2HA2117.9°120.0°
C2CA2CB2HA2120.0°119.9°
C2CA2CB2HB286.8°65.1°
C2CA2CB2HB2A33.2°55.0°
C2CA2CB2CG2153.2°175.0°
O2C2C3CL14.3°0.0°
O2C2C3H3115.7°120.0°
O2C2C3H3A124.3°120.0°
O2C2CA2N2154.6°15.0°
O2C2CA2CB225.3°105.0°
O2C2CA2HA295.7°135.1°
C1N2HN2CA2180.0°180.0°
N2C1CA1HA1137.8°59.0°
C1N2CA2CB275.0°155.0°
C1N2CA2HA2165.9°35.0°
N2C1CA1CB1103.1°62.2°
HN2N2CA2CB2105.1°25.0°
HN2N2CA2HA214.1°145.0°
C2C3CL1H3120.0°120.0°
C2C3CL1H3A120.0°120.0°
C2C3H3H3A120.0°120.0°
C3C2CA2N232.7°165.0°
C3C2CA2CB2162.0°74.9°
C3C2CA2HA277.0°45.0°
CL1C3H3H3A120.0°120.0°
CCACBHA117.0°120.0°
CCACBCG32.0°175.0°
CCACBHB88.0°54.9°
CCACBHBA152.0°65.0°
CACN1CD5.1°0.6°
CACBCGHB120.0°120.0°
CACBCGHBA120.0°120.0°
CACBHBHBA114.4°119.9°
CACBCGCD187.7°90.0°
CACBCGCD299.1°90.3°
HACACBCG85.0°55.0°
HACACBHB155.0°65.1°
HACACBHBA35.0°175.0°
CGCBHBHBA114.4°120.0°
CBCGCD1CD2173.3°179.7°
CBCGCD1CE1175.3°180.0°
CBCGCD1HD14.7°0.0°
CBCGCD2CE2175.5°180.0°
CBCGCD2HD24.5°0.0°
HBCBCGCD1152.3°30.0°
HBCBCGCD220.9°149.7°
HBACBCGCD132.3°150.0°
HBACBCGCD2140.9°29.7°
N1CDCG1HD120.0°118.9°
N1CDCG1H29120.0°118.8°
CDN1CA1HA1116.7°118.7°
CDN1CA1CB15.2°0.9°
N1CDCG1CB11.9°36.9°
N1CDHDH29121.6°122.4°
N1CDCG1HG1118.0°155.1°
N1CDCG1H31121.9°81.1°
CDCG1CB1CA15.1°35.5°
CDCG1CB1HB1114.9°153.9°
CDCG1CB1HB1A125.1°82.9°
CDCG1CB1HG1120.0°118.1°
CDCG1CB1H31120.0°118.1°
CG1CDHDH29121.6°122.3°
CDCG1HG1H31120.3°123.9°
CD3NECZ1HNE180.0°180.0°
NECD3CG2HD3120.0°119.9°
NECD3CG2HD3A120.0°120.0°
NECD3HD3HD3A118.7°120.0°
NECD3CG2CB2173.4°180.0°
NECD3CG2HG253.4°60.0°
NECD3CG2HG2A66.6°60.0°
CD3NECZ1NH2178.8°180.0°
CD3NECZ1NH10.1°0.0°
CZ1NECD3CG2144.9°180.0°
CZ1NECD3HD395.1°60.0°
CZ1NECD3HD3A24.9°60.0°
NECZ1NH1HNH1179.1°0.0°
NECZ1NH1HNHA0.9°180.0°
NECZ1NH2NH1179.0°180.0°
NECZ1NH2HNH2179.0°180.0°
HNENECD3CG235.1°0.0°
HNENECD3HD384.9°119.9°
HNENECD3HD3A155.1°120.0°
HNENECZ1NH21.2°0.0°
HNENECZ1NH1179.9°180.0°
CGCD1CE1HD1180.0°180.0°
CD1CGCD2CE22.2°0.3°
CD1CGCD2HD2177.8°179.7°
CGCD1CE1CZ0.6°0.0°
CGCD1CE1HE1179.4°180.0°
CD2CGCD1CE12.0°0.3°
CD2CGCD1HD1178.0°179.7°
CGCD2CE2HD2180.0°180.0°
CGCD2CE2CZ1.1°0.0°
CGCD2CE2HE2178.9°180.0°
HZCZCE1CD1179.5°180.0°
HZCZCE2CD2179.7°180.0°
HZCZCE1CE2180.0°179.8°
HZCZCE1HE10.5°0.0°
HZCZCE2HE20.2°0.0°
HA1CA1CB1HB1129.3°99.9°
HA1CA1CB1HB1A9.3°23.2°
HA1CA1CB1CG1110.7°141.8°
N2CA2CB2HA2109.9°120.0°
N2CA2CB2HB243.4°55.0°
N2CA2CB2HB2A163.4°175.0°
N2CA2CB2CG276.6°65.0°
CA2CB2HB2HB2A115.3°120.1°
CA2CB2HB2CG2129.4°120.0°
CA2CB2HB2ACG2129.4°120.0°
CA2CB2CG2CD3122.2°180.0°
CA2CB2CG2HG2117.8°60.0°
CA2CB2CG2HG2A2.2°60.0°
HA2CA2CB2HB2153.2°175.0°
HA2CA2CB2HB2A86.7°65.0°
HA2CA2CB2CG233.3°55.0°
CA1CB1HB1HB1A120.6°123.1°
CA1CB1HB1CG1118.8°113.5°
CA1CB1HB1ACG1118.8°113.6°
CA1CB1CG1HG1114.9°153.6°
CA1CB1CG1H31125.1°82.6°
HB1CB1HB1ACG1120.6°123.2°
HB1CB1CG1HG1125.1°88.0°
HB1CB1CG1H315.1°35.8°
HB1ACB1CG1HG15.1°35.2°
HB1ACB1CG1H31114.9°159.0°
HB2CB2HB2ACG2115.3°119.9°
HB2CB2CG2CD3117.8°60.0°
HB2CB2CG2HG22.2°180.0°
HB2CB2CG2HG2A122.2°60.0°
HB2ACB2CG2CD32.2°60.0°
HB2ACB2CG2HG2122.2°60.0°
HB2ACB2CG2HG2A117.8°180.0°
CD1CE1CZHE1180.0°180.0°
CD1CE1CZCE20.5°0.2°
HD1CD1CE1CZ179.4°180.0°
HD1CD1CE1HE10.6°0.0°
CD2CE2CZCE10.3°0.2°
CD2CE2CZHE2180.0°179.9°
HD2CD2CE2CZ178.9°180.0°
HD2CD2CE2HE21.1°0.0°
CG2CD3HD3HD3A118.7°120.1°
CD3CG2CB2HG2120.0°120.0°
CD3CG2CB2HG2A120.0°120.0°
CD3CG2HG2HG2A116.3°120.0°
HD3CD3CG2CB266.6°60.1°
HD3CD3CG2HG2173.3°60.0°
HD3CD3CG2HG2A53.4°179.9°
HD3ACD3CG2CB253.4°60.0°
HD3ACD3CG2HG266.6°180.0°
HD3ACD3CG2HG2A173.4°60.0°
CE1CZCE2HE2179.7°179.7°
HE1CE1CZCE2179.5°179.8°
CB1CG1CDHD121.9°82.0°
CB1CG1CDH29118.1°155.7°
CB1CG1HG1H31120.3°123.8°
CB2CG2HG2HG2A116.3°120.0°
HNH1NH1HNHACZ1180.0°180.0°
HNH1NH1CZ1NH20.0°180.0°
HNHANH1CZ1NH2180.0°0.0°
HNH2NH2CZ1NH10.0°0.0°
HDCDCG1HG12.0°36.2°
HDCDCG1H31118.1°160.0°
H29CDCG1HG1121.9°86.1°
H29CDCG1H311.9°37.7°

227344

PDB entries from 2024-11-13

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