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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OB1	CB1	sing	1.43Å	1.41Å
OB1	HO1	sing	0.97Å	0.95Å
CB1	CB	sing	1.53Å	1.54Å
CB1	HB11	sing	1.09Å	1.12Å
CB1	HB12	sing	1.09Å	1.11Å
CB	SG	sing	1.81Å	1.82Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.11Å
SG	HS	sing	1.34Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CB1	OB1	HO1	109.7°	106.8°
OB1	CB1	CB	109.7°	109.5°
OB1	CB1	HB11	112.2°	109.4°
OB1	CB1	HB12	112.2°	109.4°
CB	CB1	HB11	112.1°	109.5°
CB	CB1	HB12	112.1°	109.5°
CB1	CB	SG	110.9°	109.5°
CB1	CB	HB1	111.7°	109.5°
CB1	CB	HB2	111.7°	109.5°
HB11	CB1	HB12	98.3°	109.5°
SG	CB	HB1	111.7°	109.4°
SG	CB	HB2	111.7°	109.4°
CB	SG	HS	110.9°	100.1°
HB1	CB	HB2	98.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OB1	CB1	CB	HB11	125.3°	119.9°
OB1	CB1	CB	HB12	125.3°	119.9°
OB1	CB1	HB11	HB12	118.1°	120.0°
OB1	CB1	CB	SG	151.8°	180.0°
OB1	CB1	CB	HB1	83.0°	60.1°
OB1	CB1	CB	HB2	26.6°	60.1°
HO1	OB1	CB1	CB	180.0°	180.0°
HO1	OB1	CB1	HB11	54.7°	60.0°
HO1	OB1	CB1	HB12	54.8°	60.0°
CB	CB1	HB11	HB12	118.0°	120.1°
CB1	CB	SG	HB1	125.3°	120.1°
CB1	CB	SG	HB2	125.2°	120.1°
CB1	CB	HB1	HB2	117.6°	120.1°
CB1	CB	SG	HS	180.0°	180.0°
HB11	CB1	CB	SG	26.5°	60.1°
HB11	CB1	CB	HB1	151.8°	180.0°
HB11	CB1	CB	HB2	98.7°	59.9°
HB12	CB1	CB	SG	82.9°	60.1°
HB12	CB1	CB	HB1	42.3°	59.9°
HB12	CB1	CB	HB2	151.9°	180.0°
SG	CB	HB1	HB2	117.6°	119.8°
HB1	CB	SG	HS	54.8°	59.9°
HB2	CB	SG	HS	54.7°	59.9°

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