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SummaryGeometryRelated PDB entries

CA1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CX5CX6sing1.53Å1.53Å
CX5H1sing1.09Å1.10Å
CX5HX51sing1.09Å1.10Å
CX5HX52sing1.09Å1.10Å
CX6CX7sing1.51Å1.51Å
CX6H2sing1.09Å1.10Å
CX6H3sing1.09Å1.10Å
CX7OX8doub1.21Å1.24Å
CX7OX9sing1.34Å1.26Å
OX9CJ1sing1.45Å1.54Å
CJ1CJ2sing1.53Å1.52Å
CJ1H4sing1.09Å1.10Å
CJ1H5sing1.09Å1.10Å
CJ2H6sing1.09Å1.10Å
CJ2H7sing1.09Å1.10Å
CJ2H8sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
CX6CX5H1109.5°109.5°
CX6CX5HX51109.5°109.4°
CX6CX5HX52109.5°109.5°
CX5CX6CX7112.1°109.4°
CX5CX6H2108.0°109.5°
CX5CX6H3108.6°109.5°
H1CX5HX51109.5°109.5°
H1CX5HX52109.5°109.5°
HX51CX5HX52109.4°109.5°
CX7CX6H2108.0°109.4°
CX7CX6H3108.6°109.5°
CX6CX7OX8119.5°120.1°
CX6CX7OX9118.2°120.0°
H2CX6H3111.5°109.5°
OX8CX7OX9122.3°120.0°
CX7OX9CJ1122.7°120.0°
OX9CJ1CJ2119.7°109.5°
OX9CJ1H4103.8°109.5°
OX9CJ1H5106.2°109.5°
CJ2CJ1H4103.8°109.5°
CJ2CJ1H5106.2°109.4°
CJ1CJ2H6109.5°109.5°
CJ1CJ2H7109.4°109.5°
CJ1CJ2H8109.5°109.5°
H4CJ1H5117.9°109.4°
H6CJ2H7109.5°109.4°
H6CJ2H8109.5°109.4°
H7CJ2H8109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
CX6CX5H1HX51120.0°119.9°
CX6CX5H1HX52120.1°120.0°
CX6CX5HX51HX52120.0°120.0°
CX5CX6CX7H2118.9°120.0°
CX5CX6CX7H3120.0°120.0°
CX5CX6H2H3119.3°120.1°
CX5CX6CX7OX81.5°0.0°
CX5CX6CX7OX9179.3°180.0°
H1CX5HX51HX52120.0°120.1°
H1CX5CX6CX729.2°180.0°
H1CX5CX6H2148.1°60.1°
H1CX5CX6H390.8°60.0°
HX51CX5CX6CX7149.2°60.0°
HX51CX5CX6H291.9°180.0°
HX51CX5CX6H329.2°60.0°
HX52CX5CX6CX790.8°60.0°
HX52CX5CX6H228.1°60.0°
HX52CX5CX6H3149.2°179.9°
CX7CX6H2H3119.3°120.0°
CX6CX7OX8OX9177.6°180.0°
CX6CX7OX9CJ1179.8°180.0°
H2CX6CX7OX8117.3°120.0°
H2CX6CX7OX960.4°60.0°
H3CX6CX7OX8121.5°120.0°
H3CX6CX7OX960.7°60.0°
OX8CX7OX9CJ12.2°0.1°
CX7OX9CJ1CJ2178.5°180.0°
CX7OX9CJ1H463.5°59.9°
CX7OX9CJ1H561.5°60.1°
OX9CJ1CJ2H4115.0°120.1°
OX9CJ1CJ2H5120.0°120.0°
OX9CJ1H4H5117.1°120.0°
OX9CJ1CJ2H6149.8°60.1°
OX9CJ1CJ2H729.8°59.9°
OX9CJ1CJ2H890.2°180.0°
CJ2CJ1H4H5117.1°119.9°
CJ1CJ2H6H7120.0°120.0°
CJ1CJ2H6H8120.0°120.0°
CJ1CJ2H7H8120.0°120.1°
H4CJ1CJ2H695.1°60.1°
H4CJ1CJ2H7144.8°180.0°
H4CJ1CJ2H824.9°59.9°
H5CJ1CJ2H629.8°180.0°
H5CJ1CJ2H790.2°60.1°
H5CJ1CJ2H8149.8°60.0°
H6CJ2H7H8120.0°119.9°

246704

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