ASG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.52Å
C1	O1	sing	1.43Å	1.39Å
C1	O5	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.52Å
C2	N2	sing	1.47Å	1.48Å
C2	H2	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.52Å
C3	O3	sing	1.43Å	1.43Å
C3	H3	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.52Å
C4	O4	sing	1.43Å	1.43Å
C4	H4	sing	1.09Å	1.11Å
C5	C6	sing	1.53Å	1.51Å
C5	O5	sing	1.43Å	1.43Å
C5	H5	sing	1.09Å	1.12Å
C6	O6	sing	1.43Å	1.43Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	sing	1.51Å	1.51Å
C7	N2	sing	1.35Å	1.38Å
C7	O7	doub	1.21Å	1.22Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.11Å
C8	H83	sing	1.09Å	1.12Å
O1	HO1	sing	0.97Å	0.95Å
N2	HN2	sing	0.97Å	1.02Å
O3	HO3	sing	0.97Å	0.95Å
O4	S	sing	1.52Å	1.60Å
O6	HO6	sing	0.97Å	0.95Å
OSA	S	sing	1.52Å	1.45Å
OSA	HOA	sing	0.97Å	0.95Å
OSB	S	doub	1.42Å	1.45Å
OSC	S	doub	1.42Å	1.45Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	108.4°	109.5°
C2	C1	O5	109.3°	109.8°
C2	C1	H1	109.5°	109.4°
C1	C2	C3	110.6°	109.1°
C1	C2	N2	109.4°	109.6°
C1	C2	H2	109.2°	109.6°
O1	C1	O5	107.3°	109.4°
O1	C1	H1	111.5°	109.4°
C1	O1	HO1	108.5°	106.9°
O5	C1	H1	110.7°	109.4°
C1	O5	C5	112.3°	107.6°
C3	C2	N2	110.8°	109.5°
C3	C2	H2	107.8°	109.5°
C2	C3	C4	110.3°	108.6°
C2	C3	O3	109.7°	109.9°
C2	C3	H3	108.8°	109.5°
N2	C2	H2	109.0°	109.5°
C2	N2	C7	119.0°	120.0°
C2	N2	HN2	123.9°	120.0°
C4	C3	O3	109.7°	109.6°
C4	C3	H3	108.8°	109.6°
C3	C4	C5	110.2°	109.1°
C3	C4	O4	110.4°	109.6°
C3	C4	H4	108.2°	109.5°
O3	C3	H3	109.5°	109.6°
C3	O3	HO3	109.6°	106.8°
C5	C4	O4	109.0°	109.6°
C5	C4	H4	109.6°	109.5°
C4	C5	C6	112.8°	109.4°
C4	C5	O5	110.2°	109.8°
C4	C5	H5	106.0°	109.4°
O4	C4	H4	109.4°	109.6°
C4	O4	S	116.1°	106.8°
C6	C5	O5	106.9°	109.4°
C6	C5	H5	109.3°	109.4°
C5	C6	O6	111.8°	109.5°
C5	C6	H61	111.3°	109.5°
C5	C6	H62	111.3°	109.5°
O5	C5	H5	111.9°	109.4°
O6	C6	H61	111.4°	109.5°
O6	C6	H62	111.3°	109.5°
C6	O6	HO6	111.9°	106.8°
H61	C6	H62	99.1°	109.4°
C8	C7	N2	113.2°	120.0°
C8	C7	O7	123.3°	120.0°
C7	C8	H81	113.3°	109.5°
C7	C8	H82	110.9°	109.4°
C7	C8	H83	110.9°	109.5°
N2	C7	O7	123.5°	120.0°
C7	N2	HN2	117.1°	120.0°
H81	C8	H82	110.8°	109.5°
H81	C8	H83	110.8°	109.5°
H82	C8	H83	99.5°	109.5°
O4	S	OSA	109.5°	107.4°
O4	S	OSB	109.5°	105.8°
O4	S	OSC	109.6°	105.8°
S	OSA	HOA	109.5°	106.8°
OSA	S	OSB	109.5°	105.8°
OSA	S	OSC	109.3°	105.8°
OSB	S	OSC	109.4°	125.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O5	118.0°	120.3°
C2	C1	O1	H1	120.7°	119.9°
C2	C1	O5	H1	120.8°	120.1°
C1	C2	C3	N2	121.5°	119.9°
C1	C2	C3	H2	119.4°	120.0°
C1	C2	N2	H2	119.4°	120.2°
C1	C2	C3	C4	53.1°	53.6°
C1	C2	C3	O3	174.1°	173.5°
C1	C2	C3	H3	66.2°	66.1°
C2	C1	O5	C5	62.7°	67.6°
C1	C2	N2	C7	124.6°	90.2°
C2	C1	O1	HO1	180.0°	180.0°
C1	C2	N2	HN2	55.4°	89.8°
O1	C1	O5	H1	121.8°	119.8°
O1	C1	C2	C3	174.1°	178.7°
O1	C1	C2	N2	63.6°	58.8°
O1	C1	C2	H2	55.6°	61.3°
O1	C1	O5	C5	179.9°	172.3°
O5	C1	C2	C3	57.4°	61.2°
O5	C1	C2	N2	179.7°	178.9°
O5	C1	C2	H2	61.1°	58.7°
C1	O5	C5	C4	62.3°	67.6°
C1	O5	C5	C6	174.8°	172.4°
C1	O5	C5	H5	55.3°	52.5°
O5	C1	O1	HO1	62.1°	59.6°
H1	C1	C2	C3	64.0°	58.9°
H1	C1	C2	N2	58.2°	61.0°
H1	C1	C2	H2	177.5°	178.8°
H1	C1	O5	C5	58.0°	52.5°
H1	C1	O1	HO1	59.3°	60.1°
C3	C2	N2	H2	118.5°	120.1°
C2	C3	C4	O3	120.9°	120.0°
C2	C3	C4	H3	119.3°	119.6°
C2	C3	O3	H3	119.3°	120.4°
C2	C3	C4	C5	52.1°	53.6°
C2	C3	C4	O4	68.4°	66.4°
C2	C3	C4	H4	171.9°	173.4°
C3	C2	N2	C7	113.3°	150.2°
C3	C2	N2	HN2	66.8°	29.9°
C2	C3	O3	HO3	180.0°	60.7°
N2	C2	C3	C4	174.6°	173.5°
N2	C2	C3	O3	64.4°	66.6°
N2	C2	C3	H3	55.3°	53.9°
C2	N2	C7	C8	179.9°	179.9°
C2	N2	C7	HN2	180.0°	180.0°
C2	N2	C7	O7	0.2°	0.0°
H2	C2	C3	C4	66.2°	66.4°
H2	C2	C3	O3	54.7°	53.5°
H2	C2	C3	H3	174.4°	173.9°
H2	C2	N2	C7	5.2°	30.1°
H2	C2	N2	HN2	174.8°	150.0°
C4	C3	O3	H3	119.4°	120.4°
C3	C4	C5	O4	121.3°	120.0°
C3	C4	C5	H4	118.9°	119.9°
C3	C4	O4	H4	118.9°	120.2°
C3	C4	C5	C6	175.2°	178.7°
C3	C4	C5	O5	55.9°	61.3°
C3	C4	C5	H5	65.3°	58.8°
C4	C3	O3	HO3	58.7°	180.0°
C3	C4	O4	S	76.6°	120.5°
O3	C3	C4	C5	173.0°	173.6°
O3	C3	C4	O4	52.5°	53.7°
O3	C3	C4	H4	67.2°	66.5°
H3	C3	C4	C5	67.2°	66.0°
H3	C3	C4	O4	172.3°	174.1°
H3	C3	C4	H4	52.6°	53.8°
H3	C3	O3	HO3	60.7°	59.6°
C5	C4	O4	H4	119.8°	120.1°
C4	C5	C6	O5	121.2°	120.3°
C4	C5	C6	H5	117.6°	119.9°
C4	C5	O5	H5	117.6°	120.1°
C4	C5	C6	O6	109.9°	179.7°
C4	C5	C6	H61	124.9°	59.7°
C4	C5	C6	H62	15.3°	60.2°
C5	C4	O4	S	162.1°	119.8°
O4	C4	C5	C6	53.9°	61.3°
O4	C4	C5	O5	65.4°	58.7°
O4	C4	C5	H5	173.4°	178.8°
C4	O4	S	OSA	16.8°	70.7°
C4	O4	S	OSB	137.0°	176.7°
C4	O4	S	OSC	103.0°	41.9°
H4	C4	C5	C6	65.8°	58.9°
H4	C4	C5	O5	174.8°	178.9°
H4	C4	C5	H5	53.7°	61.0°
H4	C4	O4	S	42.3°	0.3°
C6	C5	O5	H5	119.6°	119.9°
C5	C6	O6	H61	125.2°	120.0°
C5	C6	O6	H62	125.2°	120.0°
C5	C6	H61	H62	117.3°	120.0°
C5	C6	O6	HO6	180.0°	179.9°
O5	C5	C6	O6	11.4°	60.0°
O5	C5	C6	H61	113.9°	180.0°
O5	C5	C6	H62	136.6°	60.0°
H5	C5	C6	O6	132.6°	59.8°
H5	C5	C6	H61	7.3°	60.2°
H5	C5	C6	H62	102.2°	179.9°
O6	C6	H61	H62	117.2°	120.0°
H61	C6	O6	HO6	54.8°	59.9°
H62	C6	O6	HO6	54.8°	60.0°
C8	C7	N2	O7	179.8°	179.9°
C7	C8	H81	H82	125.3°	120.0°
C7	C8	H81	H83	125.3°	120.0°
C7	C8	H82	H83	116.7°	120.0°
C8	C7	N2	HN2	0.0°	0.0°
N2	C7	C8	H81	180.0°	180.0°
N2	C7	C8	H82	54.7°	60.0°
N2	C7	C8	H83	54.7°	59.9°
O7	C7	C8	H81	0.2°	0.1°
O7	C7	C8	H82	125.1°	120.1°
O7	C7	C8	H83	125.4°	120.0°
O7	C7	N2	HN2	179.8°	179.9°
H81	C8	H82	H83	116.6°	120.0°
O4	S	OSA	OSB	120.1°	112.6°
O4	S	OSA	OSC	120.0°	112.6°
O4	S	OSA	HOA	180.0°	180.0°
O4	S	OSB	OSC	120.1°	123.1°
OSA	S	OSB	OSC	119.8°	123.1°
HOA	OSA	S	OSB	59.9°	67.3°
HOA	OSA	S	OSC	60.0°	67.4°

Definition date:	1999-07-08
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Replaces:	NGL
Derived from:	1C4S