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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C2doub1.21Å1.28Å
C21C11sing1.53Å1.48Å
C21S2sing1.81Å1.81Å
C11O1sing1.43Å1.41Å
CD2CE2doub1.38Å1.39ÅAromatic
CD2CG2sing1.38Å1.39ÅAromatic
CE2CZsing1.39Å1.39ÅAromatic
CB2CG2sing1.51Å1.49Å
CB2S2sing1.81Å1.82Å
CB2CA2sing1.53Å1.48Å
C2CA2sing1.52Å1.46Å
C2N3sing1.35Å1.32Å
CG2CD1doub1.38Å1.39ÅAromatic
CA3N3sing1.46Å1.46Å
CA3C3sing1.51Å1.51Å
CA2N2sing1.47Å1.35Å
O3C3doub1.21Å1.25Å
N3C1sing1.37Å1.36Å
CZOHsing1.36Å1.36Å
CZCE1doub1.39Å1.38ÅAromatic
CD1CE1sing1.38Å1.38ÅAromatic
N2C1doub1.29Å1.36Å
C1CA1sing1.51Å1.48Å
CA1N1sing1.47Å1.28Å
CA1CB1sing1.53Å1.52Å
CB1CG1sing1.53Å1.53Å
CG1SDsing1.81Å1.76Å
SDCEsing1.81Å1.76Å
CA3H2sing1.09Å1.10Å
CA3H3sing1.09Å1.10Å
CB1H5sing1.09Å1.10Å
CB1H6sing1.09Å1.10Å
CG1H7sing1.09Å1.10Å
CG1H8sing1.09Å1.10Å
CEH9sing1.09Å1.10Å
CEH10sing1.09Å1.10Å
CEH11sing1.09Å1.10Å
N1H12sing1.01Å1.00Å
CB2H13sing1.09Å1.10Å
CD2H14sing1.08Å1.08Å
CD1H15sing1.08Å1.08Å
CE1H16sing1.08Å1.08Å
CE2H17sing1.08Å1.08Å
OHH18sing0.97Å0.95Å
C21H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C11H21sing1.09Å1.10Å
C11H22sing1.09Å1.10Å
O1H23sing0.97Å0.95Å
C3OXTsing1.34Å1.34Å
CA1H1sing1.09Å1.10Å
N1HXTsing1.01Å1.00Å
CA2H24sing1.09Å1.10Å
OXTH25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C2CA2124.1°127.6°
O2C2N3124.0°127.6°
C11C21S2105.9°109.4°
C21C11O1109.1°109.4°
C11C21H19110.3°109.4°
C11C21H20110.4°109.5°
C21C11H21109.6°109.4°
C21C11H22109.6°109.5°
C21S2CB299.9°103.0°
S2C21H19110.4°109.4°
S2C21H20110.4°109.5°
O1C11H21109.6°109.5°
O1C11H22109.6°109.5°
C11O1H23109.5°114.0°
CE2CD2CG2119.1°120.0°
CD2CE2CZ120.6°120.0°
CE2CD2H14120.4°119.9°
CD2CE2H17119.7°120.0°
CD2CG2CB2133.1°119.9°
CD2CG2CD1120.5°120.1°
CG2CD2H14120.5°120.0°
CE2CZOH120.7°120.1°
CE2CZCE1119.8°119.9°
CZCE2H17119.7°120.0°
CG2CB2S2114.4°109.5°
CG2CB2CA2122.5°109.5°
CB2CG2CD1106.4°120.0°
CG2CB2H13103.8°109.5°
S2CB2CA2108.1°109.4°
S2CB2H13101.3°109.4°
CB2CA2C2130.7°110.6°
CB2CA2N2126.4°110.7°
CA2CB2H13103.9°109.5°
CB2CA2H2490.7°110.6°
CA2C2N3111.9°104.8°
C2CA2N2102.8°103.7°
C2CA2H2490.7°110.6°
C2N3CA3124.4°124.7°
C2N3C1104.5°110.6°
CG2CD1CE1120.1°120.1°
CG2CD1H15120.0°120.0°
N3CA3C3112.1°109.4°
CA3N3C1131.0°124.7°
N3CA3H2108.8°109.5°
N3CA3H3108.8°109.5°
CA3C3O3119.5°120.0°
C3CA3H2108.8°109.5°
C3CA3H3108.8°109.4°
CA3C3OXT117.0°120.0°
CA2N2C1108.8°107.7°
N2CA2H2490.7°110.4°
O3C3OXT123.4°120.0°
N3C1N2111.9°113.1°
N3C1CA1124.7°123.4°
OHCZCE1119.5°120.0°
CZOHH18109.5°114.0°
CZCE1CD1119.9°119.9°
CZCE1H16120.0°120.0°
CE1CD1H15119.9°119.9°
CD1CE1H16120.0°120.0°
N2C1CA1123.4°123.5°
C1CA1N1126.4°109.5°
C1CA1CB1113.0°109.5°
C1CA1H192.7°109.5°
N1CA1CB1119.8°109.4°
CA1N1H12109.5°111.0°
N1CA1H193.0°109.4°
CA1N1HXT109.5°111.0°
CA1CB1CG1110.0°109.5°
CA1CB1H5109.3°109.5°
CA1CB1H6109.3°109.5°
CB1CA1H192.5°109.4°
CB1CG1SD111.1°109.5°
CG1CB1H5109.4°109.5°
CG1CB1H6109.3°109.5°
CB1CG1H7109.1°109.5°
CB1CG1H8109.1°109.4°
CG1SDCE107.2°103.0°
SDCG1H7109.0°109.5°
SDCG1H8109.1°109.5°
SDCEH9109.5°109.4°
SDCEH10109.4°109.5°
SDCEH11109.4°109.4°
H2CA3H3109.4°109.5°
H5CB1H6109.5°109.4°
H7CG1H8109.5°109.5°
H9CEH10109.5°109.5°
H9CEH11109.5°109.5°
H10CEH11109.5°109.5°
H12N1HXT109.5°111.0°
H19C21H20109.5°109.5°
H21C11H22109.5°109.5°
C3OXTH25109.5°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C2CA2CB22.2°61.2°
O2C2CA2N3179.5°179.7°
O2C2N3CA31.3°0.3°
O2C2CA2N2179.9°179.9°
O2C2N3C1179.5°180.0°
O2C2CA2H2489.2°61.7°
C11C21S2H19119.4°119.9°
C11C21S2H20119.4°120.0°
C21C11O1H21119.9°119.9°
C21C11O1H22119.9°120.0°
C11C21S2CB2162.8°180.0°
C11C21H19H20121.7°120.0°
C21C11H21H22120.2°120.0°
C21C11O1H23180.0°180.0°
S2C21C11O172.8°180.0°
C21S2CB2CG2125.3°65.0°
C21S2CB2CA294.5°175.0°
C21S2CB2H1314.3°55.0°
S2C21H19H20121.7°120.0°
S2C21C11H2147.1°60.0°
S2C21C11H22167.2°60.0°
O1C11C21H1946.6°60.1°
O1C11C21H20167.7°59.9°
O1C11H21H22120.2°120.1°
CE2CD2CG2H14180.0°179.9°
CD2CE2CZH17180.0°180.0°
CE2CD2CG2CB2179.0°180.0°
CE2CD2CG2CD10.6°0.3°
CD2CE2CZOH179.8°179.9°
CD2CE2CZCE10.4°0.2°
CG2CD2CE2CZ0.0°0.1°
CD2CG2CB2CD1178.6°179.7°
CD2CG2CB2S298.4°60.3°
CD2CG2CB2CA2127.8°59.7°
CD2CG2CD1CE10.8°0.3°
CD2CG2CB2H1311.0°179.7°
CD2CG2CD1H15179.2°179.7°
CG2CD2CE2H17180.0°179.9°
CE2CZOHCE1179.9°179.7°
CE2CZCE1CD10.2°0.2°
CZCE2CD2H14180.0°180.0°
CE2CZCE1H16179.8°179.7°
CE2CZOHH18180.0°90.3°
CG2CB2S2CA2140.2°120.0°
CG2CB2S2H13111.0°120.0°
CG2CB2CA2H13116.7°120.1°
CG2CB2CA2C2122.6°180.0°
CG2CB2CA2N260.2°65.6°
CB2CG2CD1CE1179.6°180.0°
CB2CG2CD2H141.0°0.1°
CB2CG2CD1H150.4°0.0°
CG2CB2CA2H2431.2°57.2°
S2CB2CA2H13107.0°119.9°
S2CB2CA2C2101.1°60.0°
S2CB2CG2CD180.2°120.0°
S2CB2CA2N276.1°54.4°
CB2S2C21H1943.4°60.0°
CB2S2C21H2077.7°60.0°
S2CB2CA2H24167.5°177.2°
CB2CA2C2N2177.7°118.8°
CB2CA2C2H2491.4°122.9°
CB2CA2C2N3178.3°118.6°
CA2CB2CG2CD153.7°120.0°
CB2CA2N2H2491.4°122.9°
CB2CA2N2C1178.7°118.6°
CA2C2N3CA3178.2°179.9°
C2CA2N2H2490.8°118.5°
CA2C2N3C10.0°0.3°
C2CA2N2C10.9°0.0°
C2CA2CB2H135.9°59.9°
C2N3CA3C1177.7°179.6°
C2N3CA3C3105.6°91.6°
N3C2CA2N20.6°0.2°
C2N3C1N20.6°0.3°
C2N3C1CA1179.3°179.7°
C2N3CA3H214.8°148.4°
C2N3CA3H3134.0°28.4°
N3C2CA2H2490.3°118.6°
CG2CD1CE1CZ0.4°0.0°
CG2CD1CE1H15180.0°180.0°
CD1CG2CB2H13170.4°0.0°
CD1CG2CD2H14179.4°179.8°
CG2CD1CE1H16179.6°179.9°
N3CA3C3H2120.4°120.0°
N3CA3C3H3120.4°120.0°
N3CA3C3O3174.3°0.3°
CA3N3C1N2178.6°179.9°
CA3N3C1CA11.3°0.1°
N3CA3H2H3118.8°120.1°
N3CA3C3OXT5.2°180.0°
CA3C3O3OXT179.5°179.7°
C3CA3N3C176.8°88.8°
C3CA3H2H3118.8°120.0°
CA3C3OXTH25179.5°179.7°
CA2N2C1N31.0°0.1°
CA2N2C1CA1178.9°179.9°
N2CA2CB2H13176.9°174.4°
O3C3CA3H253.9°119.7°
O3C3CA3H365.3°120.3°
O3C3OXTH250.0°0.0°
N3C1N2CA1180.0°180.0°
N3C1CA1N115.2°144.6°
N3C1CA1CB1174.5°95.4°
C1N3CA3H2162.9°31.2°
C1N3CA3H343.7°151.2°
N3C1CA1H180.6°24.6°
OHCZCE1CD1180.0°180.0°
OHCZCE1H160.1°0.1°
OHCZCE2H170.3°0.1°
CZCE1CD1H16180.0°179.9°
CZCE1CD1H15179.6°180.0°
CE1CZCE2H17179.6°179.8°
CE1CZOHH180.1°90.0°
N2C1CA1N1164.8°35.4°
N2C1CA1CB15.5°84.6°
N2C1CA1H199.4°155.4°
C1N2CA2H2489.9°118.5°
C1CA1N1CB1169.7°120.0°
C1CA1N1H195.6°120.0°
C1CA1CB1H194.0°120.0°
C1CA1CB1CG196.4°175.0°
C1CA1CB1H5143.5°55.0°
C1CA1CB1H623.6°65.0°
C1CA1N1H12180.0°55.8°
C1CA1N1HXT60.0°68.1°
N1CA1CB1H195.0°119.9°
N1CA1CB1CG174.6°64.9°
N1CA1CB1H545.5°175.0°
N1CA1CB1H6165.3°55.1°
CA1N1H12HXT120.0°123.9°
CA1CB1CG1H5120.1°120.1°
CA1CB1CG1H6120.1°120.0°
CA1CB1CG1SD129.5°180.0°
CA1CB1H5H6119.7°120.0°
CA1CB1CG1H7110.3°60.0°
CA1CB1CG1H89.2°60.0°
CB1CA1N1H1210.3°64.2°
CB1CA1N1HXT109.7°171.9°
CB1CG1SDH7120.3°120.0°
CB1CG1SDH8120.3°120.0°
CB1CG1SDCE111.3°180.0°
CG1CB1H5H6119.7°120.0°
CB1CG1H7H8119.3°120.0°
CG1CB1CA1H1169.6°55.0°
SDCG1CB1H59.4°59.9°
SDCG1CB1H6110.5°60.0°
SDCG1H7H8119.2°120.0°
CG1SDCEH9180.0°60.0°
CG1SDCEH1060.0°180.0°
CG1SDCEH1160.0°60.0°
CESDCG1H7128.4°60.0°
CESDCG1H88.9°60.0°
SDCEH9H10120.0°120.0°
SDCEH9H11120.0°119.9°
SDCEH10H11120.0°120.0°
H2CA3C3OXT125.6°60.0°
H3CA3C3OXT115.2°60.0°
H5CB1CG1H7129.6°180.0°
H5CB1CG1H8110.8°60.0°
H5CB1CA1H149.5°65.1°
H6CB1CG1H79.8°60.1°
H6CB1CG1H8129.3°180.0°
H6CB1CA1H170.3°175.0°
H9CEH10H11120.0°120.0°
H12N1CA1H184.4°175.9°
H13CB2CA2H2485.5°62.9°
H14CD2CE2H170.0°0.0°
H15CD1CE1H160.4°0.1°
H19C21C11H21166.5°180.0°
H19C21C11H2273.4°60.0°
H20C21C11H2172.3°60.0°
H20C21C11H2247.8°180.0°
H21C11O1H2360.1°60.1°
H22C11O1H2360.1°59.9°
H1CA1N1HXT155.6°52.0°

222624

PDB entries from 2024-07-17

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