SGN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C1	O1	sing	1.43Å	1.43Å
C1	O5	sing	1.42Å	1.44Å
C1	H1	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.52Å
C2	N2	sing	1.46Å	1.46Å
C2	H2	sing	1.09Å	1.12Å
C3	C4	sing	1.53Å	1.53Å
C3	O3	sing	1.43Å	1.40Å
C3	H3	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.54Å
C4	O4	sing	1.43Å	1.45Å
C4	H4	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.51Å
C5	O5	sing	1.42Å	1.44Å
C5	H5	sing	1.09Å	1.11Å
C6	O6	sing	1.43Å	1.42Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.12Å
N2	S1	sing	1.66Å	1.79Å
N2	HN21	sing	0.97Å	1.02Å
O1	HO1	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	S2	sing	1.52Å	1.77Å
S1	O1S	doub	1.42Å	1.43Å
S1	O2S	doub	1.42Å	1.43Å
S1	O3S	sing	1.52Å	1.44Å
O3S	HOS3	sing	0.97Å	0.95Å
S2	O4S	doub	1.42Å	1.44Å
S2	O5S	doub	1.42Å	1.44Å
S2	O6S	sing	1.52Å	1.44Å
O6S	HOS6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	114.4°	109.4°
C2	C1	O5	110.7°	109.7°
C2	C1	H1	106.6°	109.4°
C1	C2	C3	110.9°	109.1°
C1	C2	N2	109.3°	109.5°
C1	C2	H2	107.9°	109.5°
O1	C1	O5	113.5°	109.4°
O1	C1	H1	103.3°	109.4°
C1	O1	HO1	114.4°	106.8°
O5	C1	H1	107.7°	109.5°
C1	O5	C5	113.8°	107.7°
C3	C2	N2	107.1°	109.6°
C3	C2	H2	110.0°	109.6°
C2	C3	C4	111.8°	108.6°
C2	C3	O3	108.0°	109.8°
C2	C3	H3	108.8°	109.6°
N2	C2	H2	111.6°	109.5°
C2	N2	S1	120.8°	120.0°
C2	N2	HN21	108.1°	120.0°
C4	C3	O3	109.0°	109.6°
C4	C3	H3	107.7°	109.6°
C3	C4	C5	105.5°	109.0°
C3	C4	O4	108.1°	109.6°
C3	C4	H4	113.8°	109.5°
O3	C3	H3	111.5°	109.6°
C3	O3	HO3	108.0°	106.9°
C5	C4	O4	111.7°	109.6°
C5	C4	H4	110.2°	109.5°
C4	C5	C6	114.4°	109.4°
C4	C5	O5	109.8°	109.8°
C4	C5	H5	105.9°	109.4°
O4	C4	H4	107.7°	109.5°
C4	O4	HO4	108.1°	106.8°
C6	C5	O5	109.8°	109.4°
C6	C5	H5	105.9°	109.4°
C5	C6	O6	107.4°	109.6°
C5	C6	H61	113.0°	109.5°
C5	C6	H62	113.0°	109.5°
O5	C5	H5	110.9°	109.4°
O6	C6	H61	113.0°	109.5°
O6	C6	H62	113.0°	109.4°
C6	O6	S2	118.3°	106.9°
H61	C6	H62	97.5°	109.4°
S1	N2	HN21	108.2°	120.0°
N2	S1	O1S	108.7°	105.8°
N2	S1	O2S	109.7°	105.8°
N2	S1	O3S	110.8°	107.4°
O6	S2	O4S	105.6°	105.8°
O6	S2	O5S	110.7°	105.8°
O6	S2	O6S	110.0°	107.4°
O1S	S1	O2S	109.9°	125.3°
O1S	S1	O3S	108.7°	105.7°
O2S	S1	O3S	109.0°	105.7°
S1	O3S	HOS3	110.8°	106.9°
O4S	S2	O5S	110.3°	125.4°
O4S	S2	O6S	111.5°	105.8°
O5S	S2	O6S	108.8°	105.7°
S2	O6S	HOS6	110.0°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O5	128.3°	120.2°
C2	C1	O1	H1	115.4°	119.9°
C2	C1	O5	H1	116.1°	120.1°
C1	C2	C3	N2	119.2°	119.9°
C1	C2	C3	H2	119.3°	119.9°
C1	C2	N2	H2	119.3°	120.1°
C1	C2	C3	C4	53.5°	53.7°
C1	C2	C3	O3	173.4°	173.6°
C1	C2	C3	H3	65.4°	66.0°
C2	C1	O5	C5	56.4°	67.5°
C1	C2	N2	S1	111.0°	120.4°
C1	C2	N2	HN21	14.3°	59.7°
C2	C1	O1	HO1	179.9°	179.8°
O1	C1	O5	H1	113.7°	119.8°
O1	C1	C2	C3	79.8°	58.8°
O1	C1	C2	N2	38.1°	61.1°
O1	C1	C2	H2	159.7°	178.7°
O1	C1	O5	C5	73.8°	52.5°
O5	C1	C2	C3	49.9°	61.2°
O5	C1	C2	N2	167.8°	178.8°
O5	C1	C2	H2	70.6°	58.7°
C1	O5	C5	C4	64.1°	67.6°
C1	O5	C5	C6	169.3°	172.3°
C1	O5	C5	H5	52.6°	52.5°
O5	C1	O1	HO1	51.6°	59.9°
H1	C1	C2	C3	166.7°	178.6°
H1	C1	C2	N2	75.4°	58.7°
H1	C1	C2	H2	46.2°	61.5°
H1	C1	O5	C5	172.5°	172.4°
H1	C1	O1	HO1	64.7°	60.0°
C3	C2	N2	H2	120.5°	120.3°
C2	C3	C4	O3	119.4°	120.0°
C2	C3	C4	H3	119.5°	119.7°
C2	C3	O3	H3	119.5°	120.4°
C2	C3	C4	C5	58.2°	53.7°
C2	C3	C4	O4	177.7°	173.7°
C2	C3	C4	H4	62.7°	66.1°
C3	C2	N2	S1	128.8°	120.0°
C3	C2	N2	HN21	106.0°	59.9°
C2	C3	O3	HO3	179.9°	179.2°
N2	C2	C3	C4	172.7°	173.6°
N2	C2	C3	O3	67.4°	66.5°
N2	C2	C3	H3	53.9°	53.9°
C2	N2	S1	HN21	125.2°	179.9°
C2	N2	S1	O1S	80.8°	172.6°
C2	N2	S1	O2S	159.0°	52.6°
C2	N2	S1	O3S	38.6°	60.0°
H2	C2	C3	C4	65.8°	66.1°
H2	C2	C3	O3	54.1°	53.7°
H2	C2	C3	H3	175.4°	174.1°
H2	C2	N2	S1	8.3°	0.3°
H2	C2	N2	HN21	133.5°	179.8°
C4	C3	O3	H3	118.8°	120.3°
C3	C4	C5	O4	117.1°	120.0°
C3	C4	C5	H4	123.2°	119.9°
C3	C4	O4	H4	123.3°	120.2°
C3	C4	C5	C6	174.2°	178.7°
C3	C4	C5	O5	61.9°	61.2°
C3	C4	C5	H5	57.9°	58.8°
C4	C3	O3	HO3	58.2°	59.9°
C3	C4	O4	HO4	180.0°	179.6°
O3	C3	C4	C5	177.5°	173.7°
O3	C3	C4	O4	62.9°	66.4°
O3	C3	C4	H4	56.6°	53.8°
H3	C3	C4	C5	61.3°	66.0°
H3	C3	C4	O4	58.2°	53.9°
H3	C3	C4	H4	177.8°	174.1°
H3	C3	O3	HO3	60.6°	60.4°
C5	C4	O4	H4	121.2°	120.2°
C4	C5	C6	O5	123.9°	120.3°
C4	C5	C6	H5	116.2°	119.8°
C4	C5	O5	H5	116.7°	120.1°
C4	C5	C6	O6	99.7°	179.7°
C4	C5	C6	H61	135.0°	59.6°
C4	C5	C6	H62	25.6°	60.3°
C5	C4	O4	HO4	64.5°	59.9°
O4	C4	C5	C6	57.1°	58.7°
O4	C4	C5	O5	179.0°	178.8°
O4	C4	C5	H5	59.2°	61.1°
H4	C4	C5	C6	62.6°	61.5°
H4	C4	C5	O5	61.3°	58.6°
H4	C4	C5	H5	178.9°	178.7°
H4	C4	O4	HO4	56.7°	60.2°
C6	C5	O5	H5	116.7°	119.8°
C5	C6	O6	H61	125.3°	120.1°
C5	C6	O6	H62	125.2°	120.0°
C5	C6	H61	H62	118.9°	120.0°
C5	C6	O6	S2	99.1°	180.0°
O5	C5	C6	O6	24.3°	60.0°
O5	C5	C6	H61	101.0°	179.9°
O5	C5	C6	H62	149.5°	60.1°
H5	C5	C6	O6	144.1°	59.9°
H5	C5	C6	H61	18.8°	60.2°
H5	C5	C6	H62	90.6°	179.9°
O6	C6	H61	H62	118.9°	119.9°
C6	O6	S2	O4S	85.1°	157.4°
C6	O6	S2	O5S	155.5°	22.5°
C6	O6	S2	O6S	35.3°	90.0°
H61	C6	O6	S2	135.6°	59.9°
H62	C6	O6	S2	26.2°	60.0°
N2	S1	O1S	O2S	120.0°	123.2°
N2	S1	O1S	O3S	120.7°	113.8°
N2	S1	O2S	O3S	121.5°	113.8°
N2	S1	O3S	HOS3	180.0°	180.0°
HN21	N2	S1	O1S	44.4°	7.4°
HN21	N2	S1	O2S	75.7°	127.5°
HN21	N2	S1	O3S	163.8°	119.9°
O6	S2	O4S	O5S	119.6°	123.2°
O6	S2	O4S	O6S	119.4°	113.7°
O6	S2	O5S	O6S	120.9°	113.7°
O6	S2	O6S	HOS6	180.0°	180.0°
O1S	S1	O2S	O3S	119.1°	123.0°
O1S	S1	O3S	HOS3	60.6°	67.3°
O2S	S1	O3S	HOS3	59.2°	67.4°
O4S	S2	O5S	O6S	122.6°	123.1°
O4S	S2	O6S	HOS6	63.2°	67.4°
O5S	S2	O6S	HOS6	58.6°	67.4°

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