NSG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	S1	sing	1.83Å	1.80Å
C1	C2	sing	1.55Å	1.55Å
C1	O5	sing	1.41Å	1.45Å
S1	C7	sing	1.83Å	1.79Å
C2	N2	sing	1.48Å	1.48Å
C2	C3	sing	1.53Å	1.52Å
N2	C7	sing	1.48Å	1.48Å
C3	O3	sing	1.43Å	1.46Å
C3	C4	sing	1.53Å	1.52Å
C4	O4	sing	1.43Å	1.45Å
C4	C5	sing	1.53Å	1.55Å
C5	O5	sing	1.43Å	1.45Å
C5	C6	sing	1.53Å	1.56Å
C6	O6	sing	1.43Å	1.43Å
C7	C8	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
N2	HN2	sing	1.01Å	1.00Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C8	H8B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	C1	C2	103.1°	101.3°
S1	C1	O5	118.2°	111.3°
C1	S1	C7	95.1°	96.0°
S1	C1	H1	105.8°	110.0°
C2	C1	O5	111.0°	113.0°
C1	C2	N2	104.1°	106.3°
C1	C2	C3	114.1°	110.1°
C2	C1	H1	108.5°	110.0°
C1	C2	H2	108.3°	111.0°
C1	O5	C5	114.3°	116.7°
O5	C1	H1	109.8°	110.7°
S1	C7	N2	105.3°	104.4°
S1	C7	C8	116.6°	110.5°
S1	C7	H7	105.1°	110.5°
N2	C2	C3	112.4°	106.9°
C2	N2	C7	108.2°	110.4°
N2	C2	H2	109.1°	110.9°
C2	N2	HN2	109.8°	111.0°
C2	C3	O3	109.8°	109.3°
C2	C3	C4	111.1°	110.4°
C3	C2	H2	108.6°	111.4°
C2	C3	H3	108.7°	109.3°
N2	C7	C8	113.1°	110.4°
C7	N2	HN2	109.8°	111.0°
N2	C7	H7	108.3°	110.4°
O3	C3	C4	108.8°	109.3°
O3	C3	H3	109.6°	109.4°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	108.4°	109.7°
C3	C4	C5	109.0°	108.3°
C4	C3	H3	108.7°	109.2°
C3	C4	H4	108.3°	109.7°
O4	C4	C5	113.7°	109.7°
O4	C4	H4	109.3°	109.7°
C4	O4	HO4	109.5°	114.0°
C4	C5	O5	110.8°	108.2°
C4	C5	C6	112.6°	109.8°
C5	C4	H4	108.0°	109.7°
C4	C5	H5	107.2°	109.7°
O5	C5	C6	110.5°	109.7°
O5	C5	H5	108.4°	109.7°
C5	C6	O6	112.6°	109.5°
C6	C5	H5	107.2°	109.8°
C5	C6	H6	108.7°	109.4°
C5	C6	H6A	108.7°	109.5°
O6	C6	H6	108.7°	109.4°
O6	C6	H6A	108.7°	109.5°
C6	O6	HO6	109.5°	114.0°
C8	C7	H7	107.8°	110.5°
C7	C8	H8	109.5°	109.5°
C7	C8	H8A	109.5°	109.4°
C7	C8	H8B	109.4°	109.5°
H6	C6	H6A	109.5°	109.4°
H8	C8	H8A	109.5°	109.5°
H8	C8	H8B	109.5°	109.5°
H8A	C8	H8B	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C1	C2	O5	127.5°	119.2°
S1	C1	C2	H1	111.8°	116.4°
S1	C1	O5	H1	121.4°	122.8°
S1	C1	C2	N2	43.1°	43.1°
S1	C1	C2	C3	79.8°	72.3°
C1	S1	C7	N2	8.2°	3.0°
S1	C1	O5	C5	65.0°	60.0°
C1	S1	C7	C8	134.6°	121.7°
S1	C1	C2	H2	159.1°	163.9°
C1	S1	C7	H7	106.1°	115.7°
C2	C1	O5	H1	119.9°	124.0°
C2	C1	S1	C7	20.0°	22.7°
C1	C2	N2	C3	124.0°	117.6°
C1	C2	N2	H2	115.4°	120.7°
C1	C2	C3	H2	120.9°	123.5°
C1	C2	N2	C7	52.7°	50.1°
C1	C2	C3	O3	169.4°	171.8°
C1	C2	C3	C4	48.9°	51.5°
C2	C1	O5	C5	53.7°	53.2°
C1	C2	N2	HN2	67.1°	73.4°
C1	C2	C3	H3	70.7°	68.6°
O5	C1	S1	C7	142.8°	143.2°
O5	C1	C2	N2	170.6°	162.3°
O5	C1	C2	C3	47.7°	46.9°
C1	O5	C5	C4	60.5°	59.9°
C1	O5	C5	C6	174.0°	179.6°
O5	C1	C2	H2	73.4°	76.9°
C1	O5	C5	H5	56.8°	59.7°
S1	C7	N2	C2	36.4°	30.4°
S1	C7	N2	C8	128.5°	118.7°
S1	C7	N2	H7	112.0°	118.7°
S1	C7	C8	H7	117.8°	122.6°
C7	S1	C1	H1	93.8°	93.7°
S1	C7	N2	HN2	83.4°	93.1°
S1	C7	C8	H8	180.0°	58.5°
S1	C7	C8	H8A	60.0°	178.5°
S1	C7	C8	H8B	60.0°	61.5°
N2	C2	C3	H2	120.9°	121.4°
C2	N2	C7	HN2	119.8°	123.5°
N2	C2	C3	O3	72.4°	73.1°
N2	C2	C3	C4	167.2°	166.6°
C2	N2	C7	C8	164.9°	149.1°
N2	C2	C1	H1	68.7°	73.3°
N2	C2	C3	H3	47.5°	46.5°
C2	N2	C7	H7	75.6°	88.4°
C3	C2	N2	C7	71.4°	67.5°
C2	C3	O3	C4	121.9°	120.9°
C2	C3	O3	H3	119.4°	119.7°
C2	C3	C4	H3	119.6°	120.2°
C2	C3	C4	O4	71.4°	60.2°
C2	C3	C4	C5	52.9°	59.5°
C3	C2	C1	H1	168.4°	171.3°
C3	C2	N2	HN2	168.8°	169.0°
C2	C3	O3	HO3	180.0°	179.9°
C2	C3	C4	H4	170.2°	179.2°
N2	C7	C8	H7	119.8°	122.5°
C7	N2	C2	H2	168.1°	170.9°
N2	C7	C8	H8	57.6°	56.4°
N2	C7	C8	H8A	177.6°	63.6°
N2	C7	C8	H8B	62.4°	176.4°
O3	C3	C4	H3	119.3°	119.6°
O3	C3	C4	O4	49.7°	60.0°
O3	C3	C4	C5	173.9°	179.7°
O3	C3	C2	H2	48.5°	48.2°
O3	C3	C4	H4	68.8°	60.6°
C3	C4	O4	C5	121.4°	118.8°
C3	C4	O4	H4	117.9°	120.6°
C3	C4	C5	H4	117.5°	119.7°
C3	C4	C5	O5	58.6°	61.1°
C3	C4	C5	C6	177.2°	179.2°
C4	C3	C2	H2	72.0°	72.0°
C4	C3	O3	HO3	58.1°	59.2°
C3	C4	O4	HO4	180.0°	180.0°
C3	C4	C5	H5	59.5°	58.5°
O4	C4	C5	H4	121.4°	120.6°
O4	C4	C5	O5	62.5°	58.6°
O4	C4	C5	C6	61.8°	61.1°
O4	C4	C3	H3	169.1°	179.6°
O4	C4	C5	H5	179.4°	178.2°
C4	C5	O5	C6	125.5°	119.7°
C4	C5	O5	H5	117.3°	119.6°
C4	C5	C6	H5	117.6°	120.7°
C4	C5	C6	O6	79.8°	175.0°
C5	C4	C3	H3	66.7°	60.7°
C5	C4	O4	HO4	58.6°	61.2°
C4	C5	C6	H6	159.8°	55.0°
C4	C5	C6	H6A	40.7°	65.0°
O5	C5	C6	H5	117.9°	120.6°
O5	C5	C6	O6	44.7°	66.3°
C5	O5	C1	H1	173.7°	177.2°
O5	C5	C4	H4	176.1°	179.2°
O5	C5	C6	H6	75.8°	173.7°
O5	C5	C6	H6A	165.1°	53.7°
C5	C6	O6	H6	120.5°	120.0°
C5	C6	O6	H6A	120.5°	120.1°
C6	C5	C4	H4	59.6°	59.5°
C5	C6	H6	H6A	118.6°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O6	C6	C5	H5	162.6°	54.3°
O6	C6	H6	H6A	118.6°	119.9°
C8	C7	N2	HN2	45.1°	25.6°
C7	C8	H8	H8A	120.0°	120.0°
C7	C8	H8	H8B	120.0°	120.0°
C7	C8	H8A	H8B	119.9°	120.0°
H1	C1	C2	H2	47.3°	47.4°
H2	C2	N2	HN2	48.3°	47.4°
H2	C2	C3	H3	168.4°	167.9°
HN2	N2	C7	H7	164.6°	148.1°
H3	C3	O3	HO3	60.6°	60.3°
H3	C3	C4	H4	50.6°	59.0°
H4	C4	O4	HO4	62.1°	59.4°
H4	C4	C5	H5	58.0°	61.2°
H5	C5	C6	H6	42.2°	65.7°
H5	C5	C6	H6A	76.9°	174.3°
H6	C6	O6	HO6	59.6°	60.0°
H6A	C6	O6	HO6	59.5°	59.9°
H7	C7	C8	H8	62.2°	178.9°
H7	C7	C8	H8A	57.8°	58.9°
H7	C7	C8	H8B	177.8°	61.1°
H8	C8	H8A	H8B	120.0°	120.0°

Release date:	2015-09-23
Definition date:	2015-06-30
Last modified:	2015-09-18
Release status:	REL
Processing site:	EBI