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PRD_001160

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
COdoub1.21Å1.22Å
NHNsing1.01Å1.00Å
NHNAsing1.01Å1.00Å
C1O1doub1.21Å1.22Å
C1N2sing1.35Å1.37Å
N1Csing1.35Å1.37Å
N1CA1sing1.47Å1.48Å
N1HN1sing0.97Å1.00Å
C2O2doub1.21Å1.21Å
C2CA2sing1.51Å1.54Å
N2CA2sing1.46Å1.46Å
N2HN2sing0.97Å1.00Å
C3C2sing1.51Å1.52Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C3CL1sing1.80Å1.77Å
CACsing1.51Å1.53Å
CANsing1.47Å1.47Å
CAHAsing1.09Å1.10Å
CBCAsing1.53Å1.58Å
CBCGsing1.51Å1.55Å
CBHBsing1.09Å1.10Å
CBHBAsing1.09Å1.10Å
CDNEsing1.47Å1.48Å
CDHDsing1.09Å1.10Å
CDHDAsing1.09Å1.10Å
NECZ2sing1.37Å1.37Å
NEHNEsing0.97Å1.00Å
CGCD1sing1.38Å1.43ÅAromatic
CZCE1sing1.38Å1.42ÅAromatic
CZHZsing1.08Å1.08Å
CD11CG1sing1.38Å1.43ÅAromatic
CD11HD11sing1.08Å1.08Å
CE11CD11doub1.38Å1.42ÅAromatic
CE11CZ1sing1.38Å1.43ÅAromatic
CE11HE11sing1.08Å1.08Å
CD21HD21sing1.08Å1.08Å
CE21CD21sing1.38Å1.42ÅAromatic
CE21HE21sing1.08Å1.08Å
CA1C1sing1.51Å1.52Å
CA1HA1sing1.09Å1.10Å
CA2CB2sing1.53Å1.56Å
CA2HA2sing1.09Å1.10Å
CB1CA1sing1.53Å1.56Å
CB1HB1sing1.09Å1.10Å
CB1HB1Asing1.09Å1.10Å
CB2CG2sing1.53Å1.54Å
CB2HB2sing1.09Å1.10Å
CB2HB2Asing1.09Å1.10Å
CD1CE1doub1.38Å1.42ÅAromatic
CD1HD1sing1.08Å1.08Å
CD2CGdoub1.38Å1.43ÅAromatic
CD2CE2sing1.38Å1.42ÅAromatic
CD2HD2sing1.08Å1.08Å
CE1HE1sing1.08Å1.08Å
CE2CZdoub1.38Å1.42ÅAromatic
CE2HE2sing1.08Å1.08Å
CG1CD21doub1.38Å1.43ÅAromatic
CG1CB1sing1.51Å1.53Å
CG2CDsing1.53Å1.55Å
CG2HG2sing1.09Å1.10Å
CG2HG2Asing1.09Å1.10Å
NH1CZ2doub1.30Å1.31Å
NH1HNH1sing0.97Å1.00Å
NH2HNH2sing0.97Å1.00Å
NH2HNHAsing0.97Å1.00Å
CZ1CE21doub1.38Å1.43ÅAromatic
CZ1HZ1sing1.08Å1.08Å
CZ2NH2sing1.38Å1.28Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCN1122.8°120.0°
OCCA117.3°120.0°
HNNHNA109.5°111.0°
HNNCA109.5°110.9°
HNANCA109.5°110.9°
O1C1N2122.6°120.0°
O1C1CA1118.8°120.0°
C1N2CA2122.0°120.0°
C1N2HN2119.0°120.0°
N2C1CA1118.5°120.0°
CN1CA1120.7°120.0°
CN1HN1119.6°120.0°
N1CCA119.9°120.0°
CA1N1HN1119.7°120.0°
N1CA1C1107.6°109.5°
N1CA1HA1108.3°109.5°
N1CA1CB1111.6°109.4°
O2C2CA2119.6°120.0°
O2C2C3118.8°120.0°
C2CA2N2109.0°109.5°
CA2C2C3121.6°120.0°
C2CA2CB2108.7°109.5°
C2CA2HA2110.6°109.5°
CA2N2HN2119.0°120.0°
N2CA2CB2110.1°109.5°
N2CA2HA2109.1°109.5°
C2C3H3109.5°109.5°
C2C3H3A109.5°109.4°
C2C3CL1109.5°109.4°
H3C3H3A109.5°109.5°
H3C3CL1109.5°109.5°
H3AC3CL1109.5°109.4°
CCAN108.6°109.5°
CCAHA107.2°109.5°
CCACB113.3°109.5°
NCAHA112.1°109.5°
NCACB108.5°109.4°
HACACB107.3°109.5°
CACBCG110.6°109.5°
CACBHB109.1°109.5°
CACBHBA109.1°109.5°
CGCBHB109.1°109.5°
CGCBHBA109.1°109.5°
CBCGCD1120.3°120.0°
CBCGCD2120.6°120.0°
HBCBHBA109.8°109.5°
NECDHD108.5°109.4°
NECDHDA108.5°109.5°
CDNECZ2114.8°120.0°
CDNEHNE122.6°120.0°
NECDCG2112.5°109.5°
HDCDHDA110.4°109.4°
HDCDCG2108.5°109.5°
HDACDCG2108.5°109.5°
CZ2NEHNE122.6°120.0°
NECZ2NH1120.6°120.0°
NECZ2NH2119.0°120.0°
CGCD1CE1120.5°119.9°
CGCD1HD1119.7°120.0°
CD1CGCD2119.1°120.1°
CE1CZHZ120.1°120.0°
CZCE1CD1120.1°120.0°
CZCE1HE1119.9°120.0°
CE1CZCE2119.9°120.0°
HZCZCE2120.1°120.0°
CG1CD11HD11120.0°120.0°
CG1CD11CE11120.1°120.0°
CD11CG1CD21119.6°120.0°
CD11CG1CB1120.4°120.0°
HD11CD11CE11120.0°120.0°
CD11CE11CZ1120.1°120.0°
CD11CE11HE11120.0°120.0°
CZ1CE11HE11120.0°120.0°
CE11CZ1CE21120.1°120.0°
CE11CZ1HZ1120.0°120.0°
HD21CD21CE21119.9°120.0°
HD21CD21CG1119.9°120.0°
CD21CE21HE21120.0°120.0°
CE21CD21CG1120.2°120.0°
CD21CE21CZ1120.0°120.0°
HE21CE21CZ1120.0°120.0°
C1CA1HA1113.6°109.5°
C1CA1CB1106.1°109.4°
HA1CA1CB1109.7°109.5°
CB2CA2HA2109.4°109.5°
CA2CB2CG2112.2°109.5°
CA2CB2HB2108.6°109.5°
CA2CB2HB2A108.6°109.5°
CA1CB1HB1108.4°109.5°
CA1CB1HB1A108.4°109.4°
CA1CB1CG1112.8°109.5°
HB1CB1HB1A110.6°109.5°
HB1CB1CG1108.4°109.5°
HB1ACB1CG1108.4°109.5°
CG2CB2HB2108.6°109.5°
CG2CB2HB2A108.6°109.5°
CB2CG2CD109.3°109.5°
CB2CG2HG2109.5°109.4°
CB2CG2HG2A109.5°109.4°
HB2CB2HB2A110.3°109.4°
CE1CD1HD1119.8°120.0°
CD1CE1HE1119.9°120.0°
CGCD2CE2120.3°120.0°
CGCD2HD2119.8°120.0°
CE2CD2HD2119.8°120.0°
CD2CE2CZ120.1°120.0°
CD2CE2HE2120.0°120.0°
CZCE2HE2120.0°120.0°
CD21CG1CB1120.0°120.0°
CDCG2HG2109.6°109.5°
CDCG2HG2A109.5°109.5°
HG2CG2HG2A109.4°109.5°
CZ2NH1HNH1112.0°120.0°
NH1CZ2NH2120.4°120.0°
HNH2NH2HNHA120.0°120.0°
HNH2NH2CZ2120.0°120.0°
HNHANH2CZ2120.0°120.0°
CE21CZ1HZ1119.9°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCN1CA180.0°180.0°
OCN1CA10.8°0.0°
OCN1HN1179.1°180.0°
OCCAN1.0°20.0°
OCCAHA122.2°140.0°
OCCACB119.6°100.0°
HNNHNACA120.0°123.9°
HNNCAC180.0°60.0°
HNNCAHA61.8°180.0°
HNNCACB56.4°60.0°
HNANCAC60.0°63.9°
HNANCAHA178.2°56.1°
HNANCACB63.6°176.1°
O1C1N2CA1178.3°179.9°
O1C1CA1N17.5°0.1°
O1C1N2CA20.3°0.0°
O1C1N2HN2179.7°180.0°
O1C1CA1HA1127.3°120.0°
O1C1CA1CB1112.1°120.0°
N2C1CA1N1174.1°180.0°
C1N2CA2C299.3°85.0°
C1N2CA2HN2180.0°180.0°
N2C1CA1HA154.2°59.9°
C1N2CA2CB2141.6°155.0°
C1N2CA2HA221.5°35.0°
N2C1CA1CB166.4°60.0°
CN1CA1HN1180.0°180.0°
N1CCAN179.0°160.0°
N1CCAHA57.8°40.0°
N1CCACB60.4°80.0°
CN1CA1C188.3°155.0°
CN1CA1HA134.9°35.0°
CN1CA1CB1155.8°85.0°
CA1N1CCA179.1°179.9°
N1CA1C1HA1119.9°120.1°
N1CA1C1CB1119.5°119.9°
N1CA1HA1CB1122.0°120.0°
N1CA1CB1HB155.3°55.0°
N1CA1CB1HB1A175.3°175.0°
N1CA1CB1CG164.7°65.0°
HN1N1CCA0.9°0.0°
HN1N1CA1C191.8°24.9°
HN1N1CA1HA1145.1°145.0°
HN1N1CA1CB124.2°95.0°
O2C2CA2C3177.9°180.0°
O2C2CA2N2161.8°15.0°
O2C2C3H3132.3°120.0°
O2C2C3H3A12.3°120.0°
O2C2C3CL1107.7°0.0°
O2C2CA2CB241.8°105.0°
O2C2CA2HA278.3°135.0°
C2CA2N2CB2119.1°120.0°
C2CA2N2HA2120.8°120.0°
C2CA2N2HN280.7°95.0°
CA2C2C3H345.6°60.0°
CA2C2C3H3A165.6°60.1°
CA2C2C3CL174.4°180.0°
C2CA2CB2HA2120.8°120.0°
C2CA2CB2CG2175.4°175.0°
C2CA2CB2HB264.6°64.9°
C2CA2CB2HB2A55.4°55.0°
N2CA2C2C320.3°165.0°
CA2N2C1CA1178.1°179.9°
N2CA2CB2HA2119.9°120.0°
N2CA2CB2CG265.3°65.0°
N2CA2CB2HB254.7°55.0°
N2CA2CB2HB2A174.7°174.9°
HN2N2C1CA12.0°0.1°
HN2N2CA2CB238.4°25.0°
HN2N2CA2HA2158.5°145.0°
C2C3H3H3A120.0°120.0°
C2C3H3CL1120.0°120.0°
C2C3H3ACL1120.0°119.9°
C3C2CA2CB2140.3°75.0°
C3C2CA2HA299.6°45.0°
H3C3H3ACL1120.0°120.0°
CCANHA118.2°120.0°
CCANCB123.6°120.0°
CCAHACB122.0°120.0°
CCACBCG62.1°175.0°
CCACBHB177.9°55.0°
CCACBHBA57.9°65.0°
NCAHACB119.0°119.9°
NCACBCG58.6°65.0°
NCACBHB61.4°175.0°
NCACBHBA178.6°55.0°
HACACBCG179.8°55.0°
HACACBHB59.9°65.0°
HACACBHBA60.1°175.0°
CACBCGHB120.0°120.0°
CACBCGHBA120.0°120.0°
CACBHBHBA119.5°120.0°
CACBCGCD181.0°90.0°
CACBCGCD298.4°90.2°
CGCBHBHBA119.6°120.0°
CBCGCD1CD2179.4°179.8°
CBCGCD1CE1179.3°180.0°
CBCGCD1HD10.7°0.0°
CBCGCD2CE2179.3°180.0°
CBCGCD2HD20.7°0.1°
HBCBCGCD139.0°30.0°
HBCBCGCD2141.6°149.8°
HBACBCGCD1159.0°150.0°
HBACBCGCD221.6°29.8°
NECDHDHDA118.7°119.9°
NECDHDCG2122.5°120.0°
NECDHDACG2122.5°120.0°
CDNECZ2HNE180.0°180.0°
NECDCG2CB2175.4°180.0°
NECDCG2HG255.4°60.1°
NECDCG2HG2A64.6°60.0°
CDNECZ2NH12.3°180.0°
CDNECZ2NH2177.4°0.0°
HDCDHDACG2118.8°120.1°
HDCDNECZ233.0°60.0°
HDCDNEHNE147.0°120.1°
HDCDCG2CB255.4°60.0°
HDCDCG2HG264.6°180.0°
HDCDCG2HG2A175.4°60.0°
HDACDNECZ2152.9°59.9°
HDACDNEHNE27.0°120.1°
HDACDCG2CB264.6°60.0°
HDACDCG2HG2175.4°60.0°
HDACDCG2HG2A55.4°179.9°
CZ2NECDCG287.0°180.0°
NECZ2NH1NH2179.7°180.0°
NECZ2NH1HNH1179.7°179.9°
NECZ2NH2HNH2179.7°0.0°
NECZ2NH2HNHA0.3°180.0°
HNENECDCG293.0°0.0°
HNENECZ2NH1177.7°0.0°
HNENECZ2NH22.6°180.0°
CGCD1CE1CZ0.2°0.0°
CGCD1CE1HD1180.0°180.0°
CD1CGCD2CE20.1°0.2°
CD1CGCD2HD2179.9°179.6°
CGCD1CE1HE1179.8°180.0°
CE1CZHZCE2180.0°179.6°
CZCE1CD1HE1180.0°180.0°
CZCE1CD1HD1179.8°179.9°
CE1CZCE2CD20.3°0.3°
CE1CZCE2HE2179.7°179.7°
HZCZCE1CD1179.7°179.9°
HZCZCE2CD2179.7°180.0°
HZCZCE1HE10.3°0.1°
HZCZCE2HE20.3°0.0°
CG1CD11HD11CE11180.0°180.0°
CG1CD11CE11CZ10.0°0.1°
CG1CD11CE11HE11180.0°180.0°
CD11CG1CD21HD21179.8°179.7°
CD11CG1CD21CE210.2°0.3°
CD11CG1CB1CA1110.1°89.7°
CD11CG1CB1HB19.9°150.3°
CD11CG1CB1HB1A129.9°30.3°
CD11CG1CD21CB1179.5°179.7°
HD11CD11CE11CZ1180.0°180.0°
HD11CD11CE11HE110.0°0.1°
HD11CD11CG1CD21179.9°180.0°
HD11CD11CG1CB10.4°0.3°
CD11CE11CZ1HE11180.0°179.9°
CE11CD11CG1CD210.1°0.1°
CE11CD11CG1CB1179.6°179.8°
CD11CE11CZ1CE210.1°0.3°
CD11CE11CZ1HZ1180.0°180.0°
CE11CZ1CE21CD210.0°0.5°
CE11CZ1CE21HE21180.0°180.0°
CE11CZ1CE21HZ1180.0°179.8°
HE11CE11CZ1CE21179.9°179.8°
HE11CE11CZ1HZ10.1°0.1°
HD21CD21CE21CG1180.0°180.0°
HD21CD21CE21HE210.1°0.0°
HD21CD21CG1CB10.4°0.0°
HD21CD21CE21CZ1179.9°179.5°
CD21CE21HE21CZ1180.0°179.5°
CE21CD21CG1CB1179.6°180.0°
CD21CE21CZ1HZ1180.0°179.8°
HE21CE21CD21CG1179.9°180.0°
HE21CE21CZ1HZ10.0°0.3°
C1CA1HA1CB1118.5°120.0°
C1CA1CB1HB161.6°65.0°
C1CA1CB1HB1A58.4°55.0°
C1CA1CB1CG1178.4°175.0°
HA1CA1CB1HB1175.3°175.0°
HA1CA1CB1HB1A64.7°65.0°
HA1CA1CB1CG155.3°55.0°
CA2CB2CG2HB2120.0°120.1°
CA2CB2CG2HB2A120.0°120.0°
CA2CB2HB2HB2A118.9°120.0°
CA2CB2CG2CD178.1°180.0°
CA2CB2CG2HG258.1°60.0°
CA2CB2CG2HG2A61.9°60.0°
HA2CA2CB2CG254.6°55.0°
HA2CA2CB2HB2174.6°175.1°
HA2CA2CB2HB2A65.4°65.0°
CA1CB1HB1HB1A118.6°120.0°
CA1CB1HB1CG1122.7°120.0°
CA1CB1HB1ACG1122.7°120.0°
CA1CB1CG1CD2170.5°90.0°
HB1CB1HB1ACG1118.7°120.0°
HB1CB1CG1CD21169.6°30.0°
HB1ACB1CG1CD2149.5°150.0°
CG2CB2HB2HB2A118.9°120.0°
CB2CG2CDHG2120.0°120.0°
CB2CG2CDHG2A120.0°120.0°
CB2CG2HG2HG2A120.1°120.0°
HB2CB2CG2CD61.9°60.0°
HB2CB2CG2HG2178.1°179.9°
HB2CB2CG2HG2A58.1°60.0°
HB2ACB2CG2CD58.1°60.0°
HB2ACB2CG2HG261.9°60.0°
HB2ACB2CG2HG2A178.1°180.0°
CE1CD1CGCD20.1°0.3°
CD1CE1CZCE20.4°0.3°
HD1CD1CGCD2179.9°179.8°
HD1CD1CE1HE10.2°0.0°
CGCD2CE2HD2180.0°179.9°
CGCD2CE2CZ0.0°0.1°
CGCD2CE2HE2180.0°179.9°
CD2CE2CZHE2180.0°180.0°
HD2CD2CE2CZ179.9°179.9°
HD2CD2CE2HE20.1°0.1°
HE1CE1CZCE2179.6°179.7°
CG1CD21CE21CZ10.1°0.5°
CDCG2HG2HG2A120.1°120.1°
NH1CZ2NH2HNH20.0°180.0°
NH1CZ2NH2HNHA180.0°0.0°
HNH1NH1CZ2NH20.0°0.0°
HNH2NH2HNHACZ2180.0°179.9°

227344

PDB entries from 2024-11-13

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