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0ZJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O2doub1.21Å1.23Å
C1C2sing1.51Å1.52Å
C1Nsing1.35Å1.37Å
C2S2sing1.81Å1.82Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
S2HS2sing1.35Å1.30Å
NCAsing1.46Å1.45Å
NHsing0.97Å1.00Å
CACsing1.51Å1.53Å
CACBsing1.53Å1.55Å
CAHAsing1.09Å1.10Å
COdoub1.21Å1.22Å
CN1sing1.35Å1.34Å
CBCGsing1.51Å1.54Å
CBHB2sing1.09Å1.10Å
CBHB3sing1.09Å1.10Å
CGCD1doub1.38Å1.42ÅAromatic
CGCD2sing1.38Å1.43ÅAromatic
CD1CE1sing1.38Å1.42ÅAromatic
CD1HD1sing1.08Å1.08Å
CD2CE2doub1.38Å1.42ÅAromatic
CD2HD2sing1.08Å1.08Å
CE1CZdoub1.38Å1.42ÅAromatic
CE1HE1sing1.08Å1.08Å
CE2CZsing1.38Å1.42ÅAromatic
CE2HE2sing1.08Å1.08Å
CZHZsing1.08Å1.08Å
N1CA1sing1.47Å1.47Å
N1CDsing1.47Å1.47Å
CA1C3sing1.51Å1.54Å
CA1CB1sing1.54Å1.54Å
CA1HA1sing1.09Å1.10Å
C3O1doub1.21Å1.24Å
C3N2sing1.35Å1.33Å
CB1CG1sing1.55Å1.49Å
CB1HB21sing1.09Å1.10Å
CB1HB31sing1.09Å1.10Å
CG1CDsing1.55Å1.50Å
CG1HG2sing1.09Å1.10Å
CG1HG3sing1.09Å1.10Å
CDHD21sing1.09Å1.10Å
CDHD3sing1.09Å1.10Å
N2CA2sing1.46Å1.46Å
N2H1sing0.97Å1.00Å
CA2CB2sing1.53Å1.54Å
CA2C4sing1.53Å1.50Å
CA2HA2sing1.09Å1.10Å
CB2CG2sing1.53Å1.52Å
CB2HB22sing1.09Å1.10Å
CB2HB32sing1.09Å1.10Å
CG2CD3sing1.53Å1.53Å
CG2HG21sing1.09Å1.10Å
CG2HG31sing1.09Å1.10Å
CD3NEsing1.46Å1.46Å
CD3HD22sing1.09Å1.10Å
CD3HD31sing1.09Å1.10Å
NECZ1sing1.37Å1.34Å
NEHEsing0.97Å1.00Å
CZ1NH1doub1.33Å1.33Å
CZ1NH2sing1.33Å1.33Å
NH1HH1sing0.97Å1.00Å
NH1H34sing0.97Å1.00Å
NH2HH21sing0.97Å1.00Å
NH2HH22sing0.97Å1.00Å
C4O3sing1.43Å1.24Å
C4CMsing1.53Å1.54Å
CMHM1sing1.09Å1.10Å
CMHM2sing1.09Å1.10Å
CLCMsing1.80Å1.45Å
C4H35sing1.09Å1.10Å
O3H36sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C1C2118.8°120.0°
O2C1N123.8°120.0°
C2C1N117.4°120.0°
C1C2S2108.0°109.4°
C1C2H21110.0°109.5°
C1C2H22110.0°109.5°
C1NCA121.0°120.0°
C1NH119.5°120.0°
S2C2H21109.9°109.5°
S2C2H22109.9°109.5°
C2S2HS2102.0°103.0°
H21C2H22109.0°109.5°
CANH119.5°120.0°
NCAC103.9°109.5°
NCACB110.4°109.5°
NCAHA113.2°109.5°
CCACB111.5°109.4°
CCAHA112.2°109.5°
CACO120.1°120.0°
CACN1118.3°120.0°
CBCAHA105.8°109.5°
CACBCG111.4°109.5°
CACBHB2108.8°109.5°
CACBHB3108.8°109.5°
OCN1121.6°120.0°
CN1CA1117.5°125.7°
CN1CD128.9°125.6°
CGCBHB2108.8°109.5°
CGCBHB3108.8°109.5°
CBCGCD1119.9°120.0°
CBCGCD2120.6°120.0°
HB2CBHB3110.1°109.5°
CD1CGCD2119.5°120.0°
CGCD1CE1120.2°120.0°
CGCD1HD1119.9°120.0°
CGCD2CE2120.2°120.0°
CGCD2HD2119.9°120.0°
CE1CD1HD1119.9°119.9°
CD1CE1CZ120.1°119.9°
CD1CE1HE1120.0°120.0°
CE2CD2HD2119.9°120.0°
CD2CE2CZ120.0°120.0°
CD2CE2HE2120.0°120.0°
CZCE1HE1120.0°120.1°
CE1CZCE2120.0°120.0°
CE1CZHZ120.0°120.0°
CZCE2HE2120.0°120.0°
CE2CZHZ120.0°120.0°
CA1N1CD111.0°108.8°
N1CA1C3111.4°109.9°
N1CA1CB1103.6°107.3°
N1CA1HA1112.9°109.9°
N1CDCG1102.1°104.7°
N1CDHD21112.0°110.4°
N1CDHD3112.0°110.4°
C3CA1CB1112.0°109.8°
C3CA1HA1104.7°109.9°
CA1C3O1120.5°120.0°
CA1C3N2117.7°120.0°
CB1CA1HA1112.4°110.0°
CA1CB1CG1105.1°102.9°
CA1CB1HB21110.9°110.8°
CA1CB1HB31111.0°110.7°
O1C3N2121.8°120.0°
C3N2CA2119.7°120.0°
C3N2H1120.1°120.0°
CG1CB1HB21111.0°110.7°
CG1CB1HB31111.0°110.7°
CB1CG1CD104.6°101.5°
CB1CG1HG2111.2°111.0°
CB1CG1HG3111.2°111.0°
HB21CB1HB31107.9°110.8°
CDCG1HG2111.1°111.2°
CDCG1HG3111.1°110.9°
CG1CDHD21112.0°110.5°
CG1CDHD3112.0°110.4°
HG2CG1HG3107.7°110.9°
HD21CDHD3106.8°110.4°
CA2N2H1120.1°120.0°
N2CA2CB2110.8°109.5°
N2CA2C4111.8°109.5°
N2CA2HA2107.1°109.5°
CB2CA2C4109.9°109.5°
CB2CA2HA2109.1°109.5°
CA2CB2CG2113.0°109.5°
CA2CB2HB22108.3°109.5°
CA2CB2HB32108.3°109.5°
C4CA2HA2108.0°109.4°
CA2C4O3119.9°109.5°
CA2C4CM117.1°109.5°
CA2C4H35103.6°109.4°
CG2CB2HB22108.3°109.5°
CG2CB2HB32108.3°109.5°
CB2CG2CD3113.2°109.5°
CB2CG2HG21108.2°109.5°
CB2CG2HG31108.3°109.5°
HB22CB2HB32110.6°109.5°
CD3CG2HG21108.3°109.5°
CD3CG2HG31108.3°109.5°
CG2CD3NE109.3°109.5°
CG2CD3HD22109.5°109.5°
CG2CD3HD31109.6°109.4°
HG21CG2HG31110.6°109.5°
NECD3HD22109.5°109.5°
NECD3HD31109.5°109.5°
CD3NECZ1125.6°120.0°
CD3NEHE117.2°120.1°
HD22CD3HD31109.4°109.5°
CZ1NEHE117.2°120.0°
NECZ1NH1119.5°120.0°
NECZ1NH2121.3°120.0°
NH1CZ1NH2119.1°120.0°
CZ1NH1HH1120.0°119.9°
CZ1NH1H34120.0°120.0°
CZ1NH2HH21120.0°120.0°
CZ1NH2HH22120.0°120.0°
HH1NH1H34120.0°120.1°
HH21NH2HH22120.0°120.0°
O3C4CM121.8°109.5°
O3C4H3582.5°109.5°
C4O3H36109.5°114.0°
C4CMHM1102.0°109.5°
C4CMHM2102.0°109.5°
C4CMCL133.9°109.5°
CMC4H3595.1°109.5°
HM1CMHM2115.8°109.5°
HM1CMCL102.0°109.4°
HM2CMCL102.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C1C2N178.8°179.7°
O2C1C2S2112.1°0.0°
O2C1C2H21127.9°120.0°
O2C1C2H227.9°120.0°
O2C1NCA0.9°0.0°
O2C1NH179.1°180.0°
C1C2S2H21120.0°120.0°
C1C2S2H22120.0°120.0°
C1C2H21H22120.6°120.0°
C1C2S2HS2180.0°180.0°
C2C1NCA177.9°179.7°
C2C1NH2.1°0.3°
NC1C2S269.1°179.7°
NC1C2H2150.9°59.7°
NC1C2H22170.9°60.3°
C1NCAH180.0°179.9°
C1NCAC100.5°60.0°
C1NCACB139.8°60.0°
C1NCAHA21.4°180.0°
S2C2H21H22120.5°120.0°
H21C2S2HS260.0°60.0°
H22C2S2HS260.0°60.0°
NCACCB119.0°120.0°
NCACHA122.6°120.0°
NCACBHA122.8°120.0°
NCACO56.0°20.0°
NCACN1124.2°160.0°
NCACBCG179.0°65.0°
NCACBHB261.0°175.0°
NCACBHB359.0°55.0°
HNCAC79.5°120.0°
HNCACB40.2°120.0°
HNCAHA158.6°0.0°
CCACBHA122.2°120.0°
CACON1179.8°179.9°
CCACBCG66.0°175.0°
CCACBHB254.0°55.0°
CCACBHB3174.0°65.0°
CACN1CA1179.0°180.0°
CACN1CD21.3°0.3°
CBCACO63.0°100.0°
CBCACN1116.8°80.0°
CACBCGHB2120.0°120.0°
CACBCGHB3120.0°120.0°
CACBHB2HB3119.2°120.0°
CACBCGCD170.9°90.0°
CACBCGCD2109.8°90.3°
HACACO178.6°140.0°
HACACN11.6°40.0°
HACACBCG56.2°55.0°
HACACBHB2176.2°65.0°
HACACBHB363.8°175.0°
OCN1CA11.2°0.1°
OCN1CD158.5°179.7°
CN1CA1CD163.2°179.8°
CN1CA1C370.6°59.5°
CN1CA1CB1168.8°178.9°
CN1CA1HA146.9°61.5°
CN1CDCG1173.1°155.8°
CN1CDHD2166.9°85.3°
CN1CDHD353.1°37.0°
CGCBHB2HB3119.2°120.0°
CBCGCD1CD2179.3°179.7°
CBCGCD1CE1179.4°180.0°
CBCGCD1HD10.6°0.0°
CBCGCD2CE2179.4°180.0°
CBCGCD2HD20.6°0.0°
HB2CBCGCD1169.1°30.0°
HB2CBCGCD210.2°149.7°
HB3CBCGCD149.1°150.1°
HB3CBCGCD2130.2°29.7°
CGCD1CE1HD1180.0°180.0°
CD1CGCD2CE20.1°0.3°
CD1CGCD2HD2179.9°179.8°
CGCD1CE1CZ0.1°0.0°
CGCD1CE1HE1179.9°180.0°
CD2CGCD1CE10.1°0.3°
CD2CGCD1HD1179.9°179.7°
CGCD2CE2HD2180.0°180.0°
CGCD2CE2CZ0.1°0.0°
CGCD2CE2HE2180.0°180.0°
CD1CE1CZHE1180.0°180.0°
CD1CE1CZCE20.1°0.3°
CD1CE1CZHZ179.9°180.0°
HD1CD1CE1CZ179.9°180.0°
HD1CD1CE1HE10.1°0.0°
CD2CE2CZCE10.0°0.3°
CD2CE2CZHE2180.0°180.0°
CD2CE2CZHZ179.9°180.0°
HD2CD2CE2CZ179.9°179.9°
HD2CD2CE2HE20.0°0.0°
CE1CZCE2HZ180.0°179.7°
CE1CZCE2HE2180.0°179.7°
HE1CE1CZCE2180.0°179.7°
HE1CE1CZHZ0.1°0.0°
HE2CE2CZHZ0.0°0.0°
N1CA1C3CB1115.5°117.8°
N1CA1C3HA1122.4°121.0°
N1CA1CB1HA1122.3°119.5°
N1CA1C3O131.1°0.0°
N1CA1C3N2150.0°180.0°
N1CA1CB1CG117.6°22.2°
N1CA1CB1HB21137.6°140.6°
N1CA1CB1HB31102.4°96.1°
CA1N1CDCG126.1°24.4°
CA1N1CDHD2193.9°94.5°
CA1N1CDHD3146.2°143.2°
CDN1CA1C3126.2°120.7°
CDN1CA1CB15.6°1.3°
CDN1CA1HA1116.3°118.3°
N1CDCG1CB136.5°37.3°
N1CDCG1HD21120.0°118.8°
N1CDCG1HD3120.0°118.8°
N1CDCG1HG283.5°80.9°
N1CDCG1HG3156.5°155.2°
N1CDHD21HD3123.0°122.4°
C3CA1CB1HA1117.5°121.0°
CA1C3O1N2178.9°180.0°
C3CA1CB1CG1102.6°97.2°
C3CA1CB1HB2117.4°21.1°
C3CA1CB1HB31137.4°144.4°
CA1C3N2CA2179.0°180.0°
CA1C3N2H11.1°0.0°
CB1CA1C3O184.5°117.8°
CB1CA1C3N294.5°62.2°
CA1CB1CG1HB21120.0°118.4°
CA1CB1CG1HB31120.0°118.3°
CA1CB1HB21HB31121.8°123.3°
CA1CB1CG1CD34.0°35.6°
CA1CB1CG1HG286.0°82.6°
CA1CB1CG1HG3154.0°153.5°
HA1CA1C3O1153.5°121.0°
HA1CA1C3N227.6°58.9°
HA1CA1CB1CG1139.9°141.7°
HA1CA1CB1HB21100.1°99.9°
HA1CA1CB1HB3119.8°23.4°
O1C3N2CA22.1°0.0°
O1C3N2H1177.9°180.0°
C3N2CA2H1180.0°180.0°
C3N2CA2CB2124.4°155.0°
C3N2CA2C4112.7°85.0°
C3N2CA2HA25.5°35.0°
CG1CB1HB21HB31121.8°123.2°
CB1CG1CDHG2120.0°118.1°
CB1CG1CDHG3120.0°118.0°
CB1CG1HG2HG3122.0°123.9°
CB1CG1CDHD2183.5°81.6°
CB1CG1CDHD3156.5°156.1°
HB21CB1CG1CD154.0°154.0°
HB21CB1CG1HG233.9°35.8°
HB21CB1CG1HG386.1°88.1°
HB31CB1CG1CD86.0°82.7°
HB31CB1CG1HG2153.9°159.1°
HB31CB1CG1HG333.9°35.2°
CDCG1HG2HG3122.0°123.9°
CG1CDHD21HD3123.0°122.3°
HG2CG1CDHD21156.5°160.3°
HG2CG1CDHD336.5°38.0°
HG3CG1CDHD2136.5°36.4°
HG3CG1CDHD383.5°86.0°
N2CA2CB2C4124.0°120.0°
N2CA2CB2HA2117.7°120.0°
N2CA2C4HA2117.6°120.0°
N2CA2CB2CG274.8°65.0°
N2CA2CB2HB2245.2°55.0°
N2CA2CB2HB32165.2°175.0°
N2CA2C4O3174.0°180.0°
N2CA2C4CM18.2°60.0°
N2CA2C4H3584.9°60.0°
H1N2CA2CB255.6°25.0°
H1N2CA2C467.3°95.0°
H1N2CA2HA2174.5°145.0°
CB2CA2C4HA2119.0°120.0°
CA2CB2CG2HB22120.0°120.0°
CA2CB2CG2HB32120.0°120.0°
CA2CB2HB22HB32118.5°120.0°
CA2CB2CG2CD3172.9°180.0°
CA2CB2CG2HG2167.1°60.0°
CA2CB2CG2HG3152.8°60.0°
CB2CA2C4O350.5°60.0°
CB2CA2C4CM141.6°180.0°
CB2CA2C4H3538.5°60.0°
C4CA2CB2CG2161.2°175.0°
C4CA2CB2HB2278.8°65.1°
C4CA2CB2HB3241.2°55.0°
CA2C4O3CM167.2°120.0°
CA2C4O3H35101.4°120.0°
CA2C4CMH35108.1°120.0°
CA2C4CMHM173.5°55.0°
CA2C4CMHM2166.5°65.0°
CA2C4CMCL46.5°175.0°
CA2C4O3H36180.0°60.0°
HA2CA2CB2CG242.9°55.0°
HA2CA2CB2HB22162.9°175.0°
HA2CA2CB2HB3277.1°65.0°
HA2CA2C4O368.4°60.0°
HA2CA2C4CM99.4°60.0°
HA2CA2C4H35157.5°180.0°
CG2CB2HB22HB32118.6°120.0°
CB2CG2CD3HG21120.0°120.0°
CB2CG2CD3HG31120.0°120.0°
CB2CG2HG21HG31118.5°120.0°
CB2CG2CD3NE169.5°180.0°
CB2CG2CD3HD2270.5°60.0°
CB2CG2CD3HD3149.5°60.0°
HB22CB2CG2CD352.9°60.0°
HB22CB2CG2HG21172.9°180.0°
HB22CB2CG2HG3167.2°60.0°
HB32CB2CG2CD367.1°60.0°
HB32CB2CG2HG2152.9°60.0°
HB32CB2CG2HG31172.9°180.0°
CD3CG2HG21HG31118.5°120.0°
CG2CD3NEHD22120.0°120.0°
CG2CD3NEHD31120.0°120.0°
CG2CD3HD22HD31120.1°120.0°
CG2CD3NECZ1179.2°180.0°
CG2CD3NEHE0.8°0.0°
HG21CG2CD3NE49.4°60.0°
HG21CG2CD3HD22169.4°180.0°
HG21CG2CD3HD3170.6°60.0°
HG31CG2CD3NE70.5°60.0°
HG31CG2CD3HD2249.5°60.0°
HG31CG2CD3HD31169.5°180.0°
NECD3HD22HD31120.0°120.0°
CD3NECZ1HE180.0°180.0°
CD3NECZ1NH1179.3°0.0°
CD3NECZ1NH20.7°180.0°
HD22CD3NECZ160.9°60.0°
HD22CD3NEHE119.1°120.0°
HD31CD3NECZ159.1°60.0°
HD31CD3NEHE120.9°120.0°
NECZ1NH1NH2180.0°180.0°
NECZ1NH1HH1179.9°0.0°
NECZ1NH1H340.0°180.0°
NECZ1NH2HH21180.0°0.0°
NECZ1NH2HH220.0°180.0°
HENECZ1NH10.7°180.0°
HENECZ1NH2179.3°0.0°
CZ1NH1HH1H34180.0°179.9°
NH1CZ1NH2HH210.0°180.0°
NH1CZ1NH2HH22180.0°0.1°
NH2CZ1NH1HH10.0°179.9°
NH2CZ1NH1H34180.0°0.0°
CZ1NH2HH21HH22180.0°179.9°
O3C4CMH3584.3°120.0°
O3C4CMHM194.0°175.0°
O3C4CMHM225.9°55.0°
O3C4CMCL146.0°65.0°
C4CMHM1HM2109.8°120.0°
C4CMHM1CL140.4°120.0°
C4CMHM2CL140.4°120.0°
CMC4O3H3612.8°60.0°
HM1CMHM2CL109.8°120.0°
HM1CMC4H35178.4°65.0°
HM2CMC4H3558.4°175.0°
CLCMC4H3561.6°55.0°
H35C4O3H3678.6°180.0°

223532

PDB entries from 2024-08-07

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