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QDK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1sing1.43Å1.49Å
C1C2sing1.51Å1.53Å
C2O2doub1.21Å1.24Å
C2C3sing1.51Å1.58Å
C3O3sing1.43Å1.45Å
C3C4sing1.53Å1.58Å
C4O4sing1.43Å1.46Å
C4C5sing1.53Å1.51Å
C5O5sing1.43Å1.45Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
O1HO1sing0.97Å0.95Å
C3H3sing1.09Å1.10Å
O3HO3sing0.97Å0.95Å
C4H4sing1.09Å1.10Å
O4HO4sing0.97Å0.95Å
C5H51sing1.09Å1.10Å
C5H52sing1.09Å1.10Å
O5HO5sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1C2109.4°109.4°
O1C1H11109.5°109.5°
O1C1H12109.5°109.5°
C1O1HO1109.5°114.0°
C1C2O2117.6°120.0°
C1C2C3121.7°120.0°
C2C1H11109.5°109.4°
C2C1H12109.5°109.5°
O2C2C3120.5°120.0°
C2C3O3109.5°109.5°
C2C3C4113.1°109.5°
C2C3H3106.5°109.5°
O3C3C4108.2°109.5°
O3C3H3111.6°109.4°
C3O3HO3109.5°114.0°
C3C4O4110.1°109.5°
C3C4C5112.3°109.5°
C4C3H3107.9°109.5°
C3C4H4106.0°109.5°
O4C4C5105.8°109.4°
O4C4H4112.4°109.5°
C4O4HO4109.5°114.0°
C4C5O5106.8°109.5°
C5C4H4110.3°109.4°
C4C5H51110.4°109.5°
C4C5H52110.4°109.5°
O5C5H51110.3°109.5°
O5C5H52110.4°109.5°
C5O5HO5109.5°113.9°
H11C1H12109.5°109.5°
H51C5H52108.6°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2H11120.0°120.0°
O1C1C2H12120.0°120.0°
O1C1C2O234.1°0.0°
O1C1C2C3141.3°180.0°
O1C1H11H12120.0°120.1°
C1C2O2C3175.5°179.9°
C1C2C3O3158.4°165.0°
C1C2C3C437.6°75.0°
C2C1H11H12120.0°120.0°
C2C1O1HO115.1°180.0°
C1C2C3H380.8°45.1°
O2C2C3O326.3°15.0°
O2C2C3C4147.1°104.9°
O2C2C1H1185.9°120.0°
O2C2C1H12154.1°120.0°
O2C2C3H394.5°135.0°
C2C3O3C4123.7°120.0°
C2C3O3H3117.7°120.0°
C2C3C4H3117.6°120.1°
C2C3C4O4177.3°60.0°
C2C3C4C565.1°180.0°
C3C2C1H1198.7°60.0°
C3C2C1H1221.3°60.0°
C2C3O3HO311.2°60.0°
C2C3C4H455.4°60.0°
O3C3C4H3120.9°119.9°
O3C3C4O461.2°180.0°
O3C3C4C556.4°60.0°
O3C3C4H4176.9°60.0°
C3C4O4C5121.5°120.0°
C3C4O4H4118.0°120.1°
C3C4C5H4118.0°120.0°
C3C4C5O5177.9°175.0°
C4C3O3HO3134.9°60.0°
C3C4O4HO4180.0°59.9°
C3C4C5H5162.1°65.0°
C3C4C5H5257.9°55.0°
O4C4C5H4121.8°120.0°
O4C4C5O561.9°65.0°
O4C4C3H359.7°60.0°
O4C4C5H5158.1°55.0°
O4C4C5H52178.0°175.0°
C4C5O5H51120.0°120.0°
C4C5O5H52120.0°120.0°
C5C4C3H3177.3°59.9°
C5C4O4HO458.4°60.0°
C4C5H51H52121.1°120.0°
C4C5O5HO5180.0°180.0°
O5C5C4H459.9°55.0°
O5C5H51H52121.1°120.0°
H11C1O1HO1104.9°60.1°
H12C1O1HO1135.1°60.0°
H3C3O3HO3106.5°180.0°
H3C3C4H462.1°179.9°
H4C4O4HO462.0°180.0°
H4C4C5H51179.9°175.0°
H4C4C5H5260.1°65.0°
H51C5O5HO560.0°59.9°
H52C5O5HO560.0°60.0°

221716

PDB entries from 2024-06-26

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