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0PK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1doub1.21Å1.28Å
C1O2sing1.35Å1.38Å
O2C2sing1.45Å1.44Å
C2C3sing1.51Å1.49Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C3C4doub1.38Å1.40ÅAromatic
C3C8sing1.38Å1.34ÅAromatic
C4C5sing1.38Å1.42ÅAromatic
C4H41sing1.08Å1.08Å
C5C6doub1.38Å1.33ÅAromatic
C5H51sing1.08Å1.08Å
C6C7sing1.38Å1.34ÅAromatic
C6H61sing1.08Å1.08Å
C7C8doub1.38Å1.41ÅAromatic
C7H71sing1.08Å1.08Å
C8H81sing1.08Å1.08Å
NCAsing1.47Å1.49Å
NHN2sing0.97Å1.00Å
CAPsing1.82Å1.65Å
CACBsing1.53Å1.49Å
CAHAsing1.09Å1.10Å
PO1Pdoub1.48Å1.59Å
PO2Psing1.61Å1.58Å
O2PHOP2sing0.97Å0.95Å
CBCGsing1.51Å1.51Å
CBHB1sing1.09Å1.10Å
CBHB2sing1.09Å1.10Å
CGCD1doub1.38Å1.40ÅAromatic
CGCD2sing1.38Å1.37ÅAromatic
CD1CE1sing1.38Å1.40ÅAromatic
CD1HD1sing1.08Å1.08Å
CD2CE2doub1.38Å1.40ÅAromatic
CD2HD2sing1.08Å1.08Å
CE1CZdoub1.38Å1.39ÅAromatic
CE1HE1sing1.08Å1.08Å
CE2CZsing1.38Å1.43ÅAromatic
CE2HE2sing1.08Å1.08Å
CZHZsing1.08Å1.08Å
N1CA1sing1.47Å1.47Å
N1Hsing1.01Å1.00Å
CA1Csing1.51Å1.54Å
CA1CB1sing1.53Å1.53Å
CA1HA1sing1.09Å1.10Å
COdoub1.21Å1.24Å
CB1CG1sing1.53Å1.51Å
CB1HB21sing1.09Å1.10Å
CB1HB3sing1.09Å1.10Å
CG1CD11sing1.53Å1.54Å
CG1CD21sing1.53Å1.51Å
CG1HGsing1.09Å1.10Å
CD11HD11sing1.09Å1.10Å
CD11HD12sing1.09Å1.10Å
CD11HD13sing1.09Å1.10Å
CD21HD21sing1.09Å1.10Å
CD21HD22sing1.09Å1.10Å
CD21HD23sing1.09Å1.10Å
N2CA2sing1.47Å1.48Å
N2H1sing0.97Å1.00Å
CA2C9sing1.51Å1.55Å
CA2CB2sing1.53Å1.52Å
CA2HA2sing1.09Å1.10Å
C9O3doub1.21Å1.25Å
C9OXTsing1.34Å1.28Å
CB2HB11sing1.09Å1.10Å
CB2HB22sing1.09Å1.10Å
CB2HB31sing1.09Å1.10Å
OXTHXTsing0.97Å0.95Å
C1Nsing1.35Å1.34Å
CN2sing1.35Å1.32Å
PN1sing1.68Å1.90Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1O2126.5°120.0°
O1C1N126.1°120.0°
C1O2C2120.8°117.0°
O2C1N107.4°120.0°
O2C2C3101.7°109.4°
O2C2H21112.1°109.4°
O2C2H22113.8°109.5°
C3C2H21112.2°109.5°
C3C2H22113.8°109.5°
C2C3C4129.1°120.1°
C2C3C8115.9°120.0°
H21C2H22103.6°109.5°
C4C3C8114.9°119.9°
C3C4C5123.7°120.0°
C3C4H41118.2°119.9°
C3C8C7116.2°120.0°
C3C8H81121.9°120.0°
C5C4H41118.2°120.0°
C4C5C6122.6°120.0°
C4C5H51118.7°120.0°
C6C5H51118.7°120.0°
C5C6C7110.0°120.0°
C5C6H61125.0°120.0°
C7C6H61125.0°120.0°
C6C7C8132.4°120.0°
C6C7H71113.8°120.0°
C8C7H71113.8°120.0°
C7C8H81121.9°120.0°
CANHN2119.3°120.0°
NCAP105.9°109.5°
NCACB104.2°109.5°
NCAHA115.3°109.4°
CANC1121.5°120.0°
HN2NC1119.3°120.0°
PCACB110.3°109.5°
PCAHA109.6°109.5°
CAPO1P112.6°109.5°
CAPO2P111.8°109.5°
CAPN1100.7°109.5°
CBCAHA111.2°109.5°
CACBCG106.0°109.5°
CACBHB1110.7°109.5°
CACBHB2111.4°109.5°
O1PPO2P112.3°109.5°
O1PPN1106.1°109.5°
PO2PHOP2109.5°114.0°
O2PPN1112.7°109.5°
CGCBHB1110.7°109.5°
CGCBHB2111.4°109.5°
CBCGCD1116.6°120.0°
CBCGCD2121.5°120.0°
HB1CBHB2106.8°109.4°
CD1CGCD2121.9°120.0°
CGCD1CE1120.4°120.0°
CGCD1HD1119.8°120.0°
CGCD2CE2118.6°120.0°
CGCD2HD2120.7°120.1°
CE1CD1HD1119.8°120.0°
CD1CE1CZ118.4°120.0°
CD1CE1HE1120.8°120.0°
CE2CD2HD2120.7°120.0°
CD2CE2CZ119.9°120.0°
CD2CE2HE2120.0°120.0°
CZCE1HE1120.8°120.0°
CE1CZCE2120.7°120.0°
CE1CZHZ119.6°120.0°
CZCE2HE2120.0°120.0°
CE2CZHZ119.6°120.0°
CA1N1H107.6°111.0°
N1CA1C115.3°109.5°
N1CA1CB1112.6°109.5°
N1CA1HA1102.0°109.5°
CA1N1P115.1°111.0°
HN1P107.6°111.0°
CCA1CB1106.1°109.5°
CCA1HA1109.0°109.4°
CA1CO121.4°120.0°
CA1CN2115.8°120.0°
CB1CA1HA1111.9°109.5°
CA1CB1CG1113.5°109.5°
CA1CB1HB21108.1°109.5°
CA1CB1HB3107.2°109.4°
OCN2122.7°120.0°
CG1CB1HB21108.2°109.5°
CG1CB1HB3107.3°109.5°
CB1CG1CD11110.4°109.5°
CB1CG1CD21100.0°109.5°
CB1CG1HG116.8°109.5°
HB21CB1HB3112.7°109.5°
CD11CG1CD21114.6°109.5°
CD11CG1HG102.8°109.4°
CG1CD11HD11109.5°109.5°
CG1CD11HD12109.4°109.5°
CG1CD11HD13109.4°109.4°
CD21CG1HG112.8°109.4°
CG1CD21HD21109.5°109.5°
CG1CD21HD22109.5°109.5°
CG1CD21HD23109.4°109.4°
HD11CD11HD12109.5°109.5°
HD11CD11HD13109.5°109.4°
HD12CD11HD13109.5°109.5°
HD21CD21HD22109.4°109.5°
HD21CD21HD23109.5°109.5°
HD22CD21HD23109.5°109.5°
CA2N2H1117.3°120.0°
N2CA2C9110.7°109.5°
N2CA2CB2108.4°109.5°
N2CA2HA2109.8°109.5°
CA2N2C125.3°120.0°
H1N2C117.4°120.0°
C9CA2CB2110.7°109.5°
C9CA2HA2107.4°109.5°
CA2C9O3120.6°120.0°
CA2C9OXT125.9°120.0°
CB2CA2HA2109.8°109.4°
CA2CB2HB11109.5°109.5°
CA2CB2HB22109.5°109.5°
CA2CB2HB31109.5°109.4°
O3C9OXT113.4°120.0°
C9OXTHXT109.5°117.0°
HB11CB2HB22109.5°109.5°
HB11CB2HB31109.5°109.5°
HB22CB2HB31109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1O2N177.6°179.7°
O1C1O2C220.2°0.0°
O1C1NCA4.4°0.0°
O1C1NHN2175.6°180.0°
C1O2C2C3145.0°180.0°
C1O2C2H2125.0°60.0°
C1O2C2H2292.2°60.0°
O2C1NCA173.2°179.7°
O2C1NHN26.8°0.3°
O2C2C3H21120.0°119.9°
O2C2C3H22122.8°120.0°
O2C2H21H22123.2°120.0°
O2C2C3C424.9°90.0°
O2C2C3C8151.5°90.3°
C2O2C1N157.4°179.7°
C3C2H21H22123.1°120.0°
C2C3C4C8176.4°179.7°
C2C3C4C5177.5°180.0°
C2C3C4H412.5°0.0°
C2C3C8C7177.8°179.8°
C2C3C8H812.1°0.1°
H21C2C3C4144.9°29.9°
H21C2C3C831.5°149.7°
H22C2C3C497.9°150.0°
H22C2C3C885.7°29.7°
C3C4C5H41180.0°180.0°
C3C4C5C62.0°0.1°
C3C4C5H51177.9°179.9°
C4C3C8C71.0°0.5°
C4C3C8H81179.0°179.8°
C8C3C4C51.1°0.3°
C8C3C4H41178.9°179.7°
C3C8C7C62.1°0.5°
C3C8C7H81180.0°179.8°
C3C8C7H71177.9°179.7°
C4C5C6H51180.0°180.0°
C4C5C6C72.5°0.0°
C4C5C6H61177.4°179.9°
H41C4C5C6178.0°180.0°
H41C4C5H512.1°0.0°
C5C6C7H61180.0°179.9°
C5C6C7C82.8°0.2°
C5C6C7H71177.2°179.9°
H51C5C6C7177.4°180.0°
H51C5C6H612.6°0.1°
C6C7C8H71180.0°179.9°
C6C7C8H81177.8°179.8°
H61C6C7C8177.1°179.9°
H61C6C7H712.8°0.0°
H71C7C8H812.1°0.1°
CANHN2C1180.0°180.0°
NCAPCB112.2°120.0°
NCAPHA125.0°120.0°
NCACBHA124.8°119.9°
NCAPO1P65.7°55.2°
NCAPO2P61.8°64.8°
NCACBCG67.6°65.2°
NCACBHB152.4°54.8°
NCACBHB2171.0°174.7°
NCAPN1178.3°175.2°
HN2NCAP96.8°75.0°
HN2NCACB19.6°45.1°
HN2NCAHA141.8°165.0°
PCACBHA121.9°120.0°
CAPO1PO2P127.2°120.0°
CAPO1PN1109.2°120.0°
CAPO2PN1112.6°120.0°
CAPO2PHOP232.0°60.1°
PCACBCG179.1°174.7°
PCACBHB160.9°65.2°
PCACBHB257.7°54.7°
CAPN1CA1158.2°175.2°
CAPN1H38.2°60.8°
PCANC183.2°105.0°
CBCAPO1P177.9°175.2°
CBCAPO2P50.4°55.2°
CACBCGHB1120.0°120.0°
CACBCGHB2121.3°120.0°
CACBHB1HB2121.4°119.9°
CACBCGCD178.6°86.2°
CACBCGCD298.2°94.1°
CBCANC1160.4°135.0°
CBCAPN169.5°64.8°
HACAPO1P59.3°64.8°
HACAPO2P173.2°175.2°
HACACBCG57.2°54.7°
HACACBHB1177.2°174.7°
HACACBHB264.1°65.3°
HACANC138.3°15.0°
HACAPN153.3°55.2°
O1PPO2PN1119.8°120.0°
O1PPO2PHOP295.6°180.0°
O1PPN1CA184.4°55.2°
O1PPN1H155.6°179.2°
O2PPN1CA138.9°64.8°
O2PPN1H81.1°59.2°
HOP2O2PPN1144.6°59.9°
CGCBHB1HB2121.4°120.0°
CBCGCD1CD2176.7°179.7°
CBCGCD1CE1179.0°180.0°
CBCGCD1HD11.0°0.1°
CBCGCD2CE2179.3°180.0°
CBCGCD2HD20.7°0.0°
HB1CBCGCD1161.4°33.8°
HB1CBCGCD221.9°145.9°
HB2CBCGCD142.7°153.8°
HB2CBCGCD2140.5°25.9°
CGCD1CE1HD1180.0°179.9°
CD1CGCD2CE22.7°0.3°
CD1CGCD2HD2177.3°179.7°
CGCD1CE1CZ0.4°0.1°
CGCD1CE1HE1179.6°180.0°
CD2CGCD1CE12.2°0.3°
CD2CGCD1HD1177.7°179.7°
CGCD2CE2HD2180.0°180.0°
CGCD2CE2CZ1.4°0.1°
CGCD2CE2HE2178.6°180.0°
CD1CE1CZHE1180.0°179.9°
CD1CE1CZCE20.9°0.2°
CD1CE1CZHZ179.2°180.0°
HD1CD1CE1CZ179.6°180.0°
HD1CD1CE1HE10.4°0.0°
CD2CE2CZCE10.4°0.2°
CD2CE2CZHE2180.0°179.9°
CD2CE2CZHZ179.6°180.0°
HD2CD2CE2CZ178.6°179.9°
HD2CD2CE2HE21.4°0.0°
CE1CZCE2HZ180.0°179.9°
CE1CZCE2HE2179.6°179.8°
HE1CE1CZCE2179.1°179.8°
HE1CE1CZHZ0.8°0.1°
HE2CE2CZHZ0.3°0.1°
CA1N1HP124.6°124.0°
N1CA1CCB1125.4°120.1°
N1CA1CHA1113.9°120.0°
N1CA1CB1HA1114.2°120.0°
N1CA1CO142.8°20.7°
N1CA1CB1CG1176.8°176.3°
N1CA1CB1HB2156.8°56.3°
N1CA1CB1HB365.0°63.7°
N1CA1CN240.9°159.3°
HN1CA1C34.5°20.0°
HN1CA1CB187.5°140.0°
HN1CA1HA1152.4°99.9°
CCA1CB1HA1118.8°119.9°
CA1CON2176.0°180.0°
CCA1CB1CG156.1°63.7°
CCA1CB1HB21176.1°176.3°
CCA1CB1HB362.1°56.3°
CA1CN2CA2177.3°174.6°
CA1CN2H12.7°5.4°
CCA1N1P85.5°144.0°
CB1CA1CO91.7°99.4°
CA1CB1CG1HB21120.0°120.1°
CA1CB1CG1HB3118.2°119.9°
CA1CB1HB21HB3118.4°120.0°
CA1CB1CG1CD1172.4°66.2°
CA1CB1CG1CD21166.5°173.8°
CA1CB1CG1HG44.5°53.8°
CB1CA1CN284.6°80.6°
CB1CA1N1P152.5°96.0°
HA1CA1CO28.9°140.7°
HA1CA1CB1CG162.6°56.2°
HA1CA1CB1HB2157.3°63.8°
HA1CA1CB1HB3179.1°176.2°
HA1CA1CN2154.8°39.3°
HA1CA1N1P32.4°24.1°
OCN2CA21.1°5.3°
OCN2H1178.9°174.6°
CG1CB1HB21HB3118.4°120.0°
CB1CG1CD11CD21111.9°120.0°
CB1CG1CD11HG125.3°120.1°
CB1CG1CD21HG124.8°120.1°
CB1CG1CD11HD11127.2°176.3°
CB1CG1CD11HD12112.8°56.2°
CB1CG1CD11HD137.2°63.8°
CB1CG1CD21HD21177.5°60.0°
CB1CG1CD21HD2257.5°180.0°
CB1CG1CD21HD2362.5°60.0°
HB21CB1CG1CD1147.5°53.9°
HB21CB1CG1CD2173.5°66.1°
HB21CB1CG1HG164.5°173.9°
HB3CB1CG1CD11169.3°173.9°
HB3CB1CG1CD2148.3°53.9°
HB3CB1CG1HG73.7°66.1°
CD11CG1CD21HG117.2°119.9°
CG1CD11HD11HD12120.0°120.0°
CG1CD11HD11HD13120.0°119.9°
CG1CD11HD12HD13120.0°120.0°
CD11CG1CD21HD2159.5°180.0°
CD11CG1CD21HD2260.5°59.9°
CD11CG1CD21HD23179.5°60.0°
CD21CG1CD11HD1115.3°63.7°
CD21CG1CD11HD12135.3°176.3°
CD21CG1CD11HD13104.7°56.3°
CG1CD21HD21HD22120.0°120.1°
CG1CD21HD21HD23120.0°120.0°
CG1CD21HD22HD23120.0°120.0°
HGCG1CD11HD11107.5°56.2°
HGCG1CD11HD1212.5°63.8°
HGCG1CD11HD13132.5°176.2°
HGCG1CD21HD2157.7°60.1°
HGCG1CD21HD22177.7°60.0°
HGCG1CD21HD2362.3°180.0°
HD11CD11HD12HD13120.0°120.0°
HD21CD21HD22HD23120.0°120.0°
CA2N2H1C180.0°180.0°
N2CA2C9CB2120.2°120.0°
N2CA2C9HA2119.9°120.0°
N2CA2CB2HA2119.9°119.9°
N2CA2C9O315.3°0.1°
N2CA2C9OXT159.1°180.0°
N2CA2CB2HB11155.0°60.0°
N2CA2CB2HB2285.0°60.1°
N2CA2CB2HB3135.0°179.9°
H1N2CA2C951.1°25.0°
H1N2CA2CB270.5°95.0°
H1N2CA2HA2169.6°145.1°
C9CA2CB2HA2118.5°120.0°
CA2C9O3OXT175.1°179.9°
C9CA2CB2HB1133.4°180.0°
C9CA2CB2HB22153.4°60.0°
C9CA2CB2HB3186.6°60.0°
CA2C9OXTHXT174.7°180.0°
C9CA2N2C128.8°155.0°
CB2CA2C9O3104.9°120.0°
CB2CA2C9OXT80.7°60.1°
CA2CB2HB11HB22120.0°120.0°
CA2CB2HB11HB31120.0°120.0°
CA2CB2HB22HB31120.0°120.0°
CB2CA2N2C109.6°85.0°
HA2CA2C9O3135.2°120.0°
HA2CA2C9OXT39.2°59.9°
HA2CA2CB2HB1185.1°60.0°
HA2CA2CB2HB2234.9°180.0°
HA2CA2CB2HB31154.9°60.0°
HA2CA2N2C10.4°34.9°
O3C9OXTHXT0.0°0.1°
HB11CB2HB22HB31120.0°120.0°

222415

PDB entries from 2024-07-10

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