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DR4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAAOAPsing1.45Å1.43Å
CAAHAA1sing1.09Å1.12Å
CAAHAA2sing1.09Å1.11Å
CAAHAA3sing1.09Å1.11Å
OAPCASsing1.34Å1.36Å
CASOABdoub1.21Å1.23Å
CASCAOsing1.51Å1.53Å
CAOCALsing1.53Å1.53Å
CAOHAO1sing1.09Å1.11Å
CAOHAO2sing1.09Å1.11Å
CALCAJsing1.53Å1.53Å
CALHAL1sing1.09Å1.11Å
CALHAL2sing1.09Å1.12Å
CAJCAHsing1.53Å1.53Å
CAJHAJ1sing1.09Å1.11Å
CAJHAJ2sing1.09Å1.11Å
CAHCAGsing1.53Å1.53Å
CAHHAH1sing1.09Å1.11Å
CAHHAH2sing1.09Å1.12Å
CAGCAIsing1.53Å1.53Å
CAGHAG1sing1.09Å1.11Å
CAGHAG2sing1.09Å1.11Å
CAICAKsing1.53Å1.53Å
CAIHAI1sing1.09Å1.12Å
CAIHAI2sing1.09Å1.12Å
CAKCAMsing1.53Å1.53Å
CAKHAK1sing1.09Å1.11Å
CAKHAK2sing1.09Å1.12Å
CAMO1sing1.43Å1.44Å
CAMHAM1sing1.09Å1.12Å
CAMHAM2sing1.09Å1.12Å
O1C1sing1.43Å1.44Å
C1O5sing1.43Å1.44Å
C1C2sing1.53Å1.53Å
C1H1sing1.09Å1.12Å
O5C5sing1.43Å1.44Å
C5C6sing1.53Å1.53Å
C5C4sing1.53Å1.53Å
C5H5sing1.09Å1.12Å
C6O6sing1.43Å1.43Å
C6H61sing1.09Å1.11Å
C6H62sing1.09Å1.11Å
O6HO6sing0.97Å0.95Å
C4O4sing1.43Å1.43Å
C4C3sing1.53Å1.53Å
C4H4sing1.09Å1.11Å
O4HO4sing0.97Å0.95Å
C3O3sing1.43Å1.43Å
C3C2sing1.53Å1.53Å
C3H3sing1.09Å1.12Å
O3HO3sing0.97Å0.95Å
C2O2sing1.43Å1.43Å
C2H2sing1.09Å1.11Å
O2HO2sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAPCAAHAA1111.4°109.5°
OAPCAAHAA2111.8°109.4°
OAPCAAHAA3111.3°109.5°
CAAOAPCAS111.8°120.0°
HAA1CAAHAA2111.3°109.4°
HAA1CAAHAA399.0°109.5°
HAA2CAAHAA3111.3°109.5°
OAPCASOAB120.7°120.0°
OAPCASCAO119.2°120.0°
OABCASCAO120.1°120.0°
CASCAOCAL111.7°109.5°
CASCAOHAO1111.4°109.4°
CASCAOHAO2111.4°109.5°
CALCAOHAO1111.4°109.5°
CALCAOHAO2111.4°109.5°
CAOCALCAJ110.5°109.5°
CAOCALHAL1111.9°109.5°
CAOCALHAL2111.8°109.5°
HAO1CAOHAO299.0°109.4°
CAJCALHAL1111.8°109.5°
CAJCALHAL2111.8°109.5°
CALCAJCAH113.2°109.5°
CALCAJHAJ1110.9°109.5°
CALCAJHAJ2110.9°109.5°
HAL1CALHAL298.5°109.5°
CAHCAJHAJ1110.8°109.5°
CAHCAJHAJ2110.8°109.4°
CAJCAHCAG113.4°109.5°
CAJCAHHAH1110.8°109.5°
CAJCAHHAH2110.8°109.5°
HAJ1CAJHAJ299.5°109.5°
CAGCAHHAH1110.8°109.5°
CAGCAHHAH2110.8°109.4°
CAHCAGCAI112.3°109.5°
CAHCAGHAG1111.2°109.5°
CAHCAGHAG2111.2°109.4°
HAH1CAHHAH299.5°109.5°
CAICAGHAG1111.2°109.4°
CAICAGHAG2111.2°109.5°
CAGCAICAK111.9°109.5°
CAGCAIHAI1111.3°109.4°
CAGCAIHAI2111.3°109.5°
HAG1CAGHAG299.2°109.5°
CAKCAIHAI1111.3°109.5°
CAKCAIHAI2111.3°109.5°
CAICAKCAM111.5°109.5°
CAICAKHAK1111.5°109.4°
CAICAKHAK2111.5°109.5°
HAI1CAIHAI299.1°109.4°
CAMCAKHAK1111.4°109.5°
CAMCAKHAK2111.5°109.5°
CAKCAMO1108.7°109.5°
CAKCAMHAM1112.5°109.4°
CAKCAMHAM2112.5°109.5°
HAK1CAKHAK298.9°109.5°
O1CAMHAM1112.5°109.5°
O1CAMHAM2112.5°109.5°
CAMO1C1111.3°106.8°
HAM1CAMHAM297.9°109.4°
O1C1O5110.8°109.4°
O1C1C2108.4°109.4°
O1C1H1109.6°109.4°
O5C1C2110.4°109.8°
O5C1H1107.6°109.4°
C1O5C5111.4°107.6°
C2C1H1110.0°109.5°
C1C2C3110.4°109.0°
C1C2O2110.0°109.5°
C1C2H2108.5°109.7°
O5C5C6110.4°109.4°
O5C5C4109.7°109.8°
O5C5H5109.1°109.4°
C6C5C4110.7°109.4°
C6C5H5108.1°109.4°
C5C6O6109.4°109.5°
C5C6H61112.2°109.5°
C5C6H62112.2°109.5°
C4C5H5108.8°109.4°
C5C4O4109.9°109.6°
C5C4C3109.5°109.0°
C5C4H4109.2°109.6°
O6C6H61112.3°109.4°
O6C6H62112.2°109.4°
C6O6HO6109.4°106.8°
H61C6H6298.2°109.5°
O4C4C3109.5°109.6°
O4C4H4109.2°109.5°
C4O4HO4109.9°106.8°
C3C4H4109.6°109.6°
C4C3O3109.6°109.6°
C4C3C2110.2°108.6°
C4C3H3108.8°109.6°
O3C3C2109.3°109.8°
O3C3H3109.8°109.6°
C3O3HO3109.6°106.9°
C2C3H3109.1°109.7°
C3C2O2109.7°109.5°
C3C2H2108.8°109.5°
O2C2H2109.2°109.6°
C2O2HO2110.0°106.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAPCAAHAA1HAA2125.5°119.9°
OAPCAAHAA1HAA3117.2°120.0°
OAPCAAHAA2HAA3125.3°120.0°
CAAOAPCASOAB0.1°0.0°
CAAOAPCASCAO179.5°180.0°
HAA1CAAHAA2HAA3109.5°120.0°
HAA1CAAOAPCAS54.8°60.0°
HAA2CAAOAPCAS180.0°60.0°
HAA3CAAOAPCAS54.7°180.0°
OAPCASOABCAO179.7°180.0°
OAPCASCAOCAL59.7°180.0°
OAPCASCAOHAO165.6°60.0°
OAPCASCAOHAO2175.1°60.0°
OABCASCAOCAL120.7°0.0°
OABCASCAOHAO1114.0°120.0°
OABCASCAOHAO24.6°120.0°
CASCAOCALHAO1125.3°120.0°
CASCAOCALHAO2125.2°120.0°
CASCAOHAO1HAO2117.2°120.0°
CASCAOCALCAJ179.6°180.0°
CASCAOCALHAL155.1°60.0°
CASCAOCALHAL254.4°60.0°
CALCAOHAO1HAO2117.3°120.0°
CAOCALCAJHAL1125.3°120.0°
CAOCALCAJHAL2125.3°120.0°
CAOCALHAL1HAL2117.8°120.0°
CAOCALCAJCAH179.8°180.0°
CAOCALCAJHAJ155.0°60.0°
CAOCALCAJHAJ254.5°60.1°
HAO1CAOCALCAJ54.4°60.0°
HAO1CAOCALHAL1179.7°180.0°
HAO1CAOCALHAL270.9°60.0°
HAO2CAOCALCAJ55.1°60.0°
HAO2CAOCALHAL170.1°60.0°
HAO2CAOCALHAL2179.6°180.0°
CAJCALHAL1HAL2117.7°120.0°
CALCAJCAHHAJ1125.3°120.0°
CALCAJCAHHAJ2125.3°120.0°
CALCAJHAJ1HAJ2116.8°120.1°
CALCAJCAHCAG68.6°180.0°
CALCAJCAHHAH1166.1°60.0°
CALCAJCAHHAH256.6°60.1°
HAL1CALCAJCAH54.5°60.0°
HAL1CALCAJHAJ1179.7°180.0°
HAL1CALCAJHAJ270.8°59.9°
HAL2CALCAJCAH55.0°60.0°
HAL2CALCAJHAJ170.3°60.0°
HAL2CALCAJHAJ2179.8°179.9°
CAHCAJHAJ1HAJ2116.7°119.9°
CAJCAHCAGHAH1125.3°120.0°
CAJCAHCAGHAH2125.3°120.0°
CAJCAHHAH1HAH2116.6°120.0°
CAJCAHCAGCAI73.7°180.0°
CAJCAHCAGHAG151.6°60.0°
CAJCAHCAGHAG2161.0°60.0°
HAJ1CAJCAHCAG56.6°60.0°
HAJ1CAJCAHHAH168.6°180.0°
HAJ1CAJCAHHAH2178.1°60.0°
HAJ2CAJCAHCAG166.1°60.0°
HAJ2CAJCAHHAH140.8°60.0°
HAJ2CAJCAHHAH268.7°180.0°
CAGCAHHAH1HAH2116.6°120.0°
CAHCAGCAIHAG1125.3°120.0°
CAHCAGCAIHAG2125.3°120.0°
CAHCAGHAG1HAG2117.0°120.0°
CAHCAGCAICAK175.1°180.0°
CAHCAGCAIHAI159.7°60.0°
CAHCAGCAIHAI249.8°60.0°
HAH1CAHCAGCAI161.0°60.0°
HAH1CAHCAGHAG173.7°180.0°
HAH1CAHCAGHAG235.7°60.0°
HAH2CAHCAGCAI51.5°60.0°
HAH2CAHCAGHAG1176.8°60.0°
HAH2CAHCAGHAG273.7°180.0°
CAICAGHAG1HAG2117.1°120.0°
CAGCAICAKHAI1125.3°120.0°
CAGCAICAKHAI2125.2°120.0°
CAGCAIHAI1HAI2117.2°120.0°
CAGCAICAKCAM66.1°180.0°
CAGCAICAKHAK159.1°60.0°
CAGCAICAKHAK2168.6°60.0°
HAG1CAGCAICAK49.8°60.0°
HAG1CAGCAIHAI1175.1°180.0°
HAG1CAGCAIHAI275.5°60.0°
HAG2CAGCAICAK59.7°60.0°
HAG2CAGCAIHAI165.6°60.0°
HAG2CAGCAIHAI2175.1°180.0°
CAKCAIHAI1HAI2117.2°120.0°
CAICAKCAMHAK1125.3°120.0°
CAICAKCAMHAK2125.3°120.0°
CAICAKHAK1HAK2117.4°120.0°
CAICAKCAMO155.7°180.0°
CAICAKCAMHAM169.6°60.0°
CAICAKCAMHAM2179.0°60.0°
HAI1CAICAKCAM168.6°60.0°
HAI1CAICAKHAK166.1°180.0°
HAI1CAICAKHAK243.3°60.0°
HAI2CAICAKCAM59.1°60.0°
HAI2CAICAKHAK1175.6°60.0°
HAI2CAICAKHAK266.1°180.0°
CAMCAKHAK1HAK2117.3°120.0°
CAKCAMO1HAM1125.3°120.0°
CAKCAMO1HAM2125.2°120.0°
CAKCAMHAM1HAM2118.4°120.0°
CAKCAMO1C1112.9°180.0°
HAK1CAKCAMO1179.0°60.0°
HAK1CAKCAMHAM155.7°180.0°
HAK1CAKCAMHAM253.8°60.0°
HAK2CAKCAMO169.6°60.0°
HAK2CAKCAMHAM1165.2°60.0°
HAK2CAKCAMHAM255.7°180.0°
O1CAMHAM1HAM2118.4°120.0°
CAMO1C1O559.9°64.8°
CAMO1C1C2178.8°174.9°
CAMO1C1H158.6°55.0°
HAM1CAMO1C1121.9°60.0°
HAM2CAMO1C112.4°60.0°
O1C1O5C2120.1°120.1°
O1C1O5H1119.8°119.8°
O1C1C2H1119.8°119.9°
O1C1O5C5177.6°172.3°
O1C1C2C3177.2°178.6°
O1C1C2O261.4°58.8°
O1C1C2H258.0°61.5°
O5C1C2H1118.6°120.1°
C1O5C5C6173.7°172.4°
C1O5C5C464.1°67.6°
C1O5C5H555.1°52.5°
O5C1C2C355.7°61.4°
O5C1C2O2177.0°178.8°
O5C1C2H263.6°58.5°
C2C1O5C562.3°67.6°
C1C2C3C452.1°53.8°
C1C2C3O3172.7°173.7°
C1C2C3O2121.5°119.8°
C1C2C3H2119.0°120.0°
C1C2C3H367.3°65.9°
C1C2O2H2119.0°120.3°
C1C2O2HO2180.0°60.5°
H1C1O5C557.8°52.5°
H1C1C2C362.9°58.7°
H1C1C2O258.4°61.1°
H1C1C2H2177.8°178.6°
O5C5C6C4121.6°120.3°
O5C5C6H5119.3°119.8°
O5C5C4H5119.3°120.1°
O5C5C6O661.2°65.0°
O5C5C6H6164.1°175.0°
O5C5C6H62173.5°55.0°
O5C5C4O461.3°58.7°
O5C5C4C359.1°61.2°
O5C5C4H4179.0°178.9°
C6C5C4H5118.6°119.9°
C5C6O6H61125.3°120.0°
C5C6O6H62125.3°120.0°
C5C6H61H62118.2°120.1°
C5C6O6HO6180.0°180.0°
C6C5C4O460.8°61.4°
C6C5C4C3178.9°178.7°
C6C5C4H458.9°58.8°
C4C5C6O6177.1°174.7°
C4C5C6H6157.6°54.7°
C4C5C6H6251.9°65.3°
C5C4O4C3120.3°119.6°
C5C4O4H4119.8°120.2°
C5C4C3H4119.8°119.9°
C5C4O4HO4180.0°179.9°
C5C4C3O3174.0°173.7°
C5C4C3C253.6°53.7°
C5C4C3H366.0°66.0°
H5C5C6O658.0°54.9°
H5C5C6H61176.7°65.1°
H5C5C6H6267.2°174.8°
H5C5C4O4179.5°178.8°
H5C5C4C360.2°58.8°
H5C5C4H459.7°61.1°
O6C6H61H62118.1°120.0°
H61C6O6HO654.8°60.0°
H62C6O6HO654.7°60.0°
O4C4C3H4119.7°120.2°
O4C4C3O353.5°53.7°
O4C4C3C266.9°66.2°
O4C4C3H3173.5°174.1°
C3C4O4HO459.8°60.5°
C4C3O3C2120.9°119.2°
C4C3O3H3119.4°120.3°
C4C3C2H3119.4°119.7°
C4C3O3HO3180.0°180.0°
C4C3C2O2173.6°173.6°
C4C3C2H266.9°66.2°
H4C4O4HO460.2°59.7°
H4C4C3O366.2°66.4°
H4C4C3C2173.4°173.7°
H4C4C3H353.8°53.9°
O3C3C2H3120.0°120.4°
O3C3C2O265.8°66.5°
O3C3C2H253.6°53.7°
C2C3O3HO359.0°60.8°
C3C2O2H2119.2°120.2°
C3C2O2HO258.3°180.0°
H3C3O3HO360.6°59.7°
H3C3C2O254.2°53.9°
H3C3C2H2173.7°174.1°
H2C2O2HO261.0°59.8°

222624

PDB entries from 2024-07-17

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