GNX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	S1	sing	1.66Å	1.60Å
N2	C2	sing	1.47Å	1.45Å
C1	O1	sing	1.43Å	1.41Å
C1	C2	sing	1.53Å	1.52Å
C1	O5	sing	1.43Å	1.41Å
S1	O1S	doub	1.42Å	1.46Å
S1	O2S	doub	1.42Å	1.46Å
S1	O3S	sing	1.52Å	1.46Å
C2	C3	sing	1.53Å	1.52Å
C3	O3	sing	1.43Å	1.41Å
C3	C4	sing	1.53Å	1.52Å
O3	S12	sing	1.52Å	1.39Å
C4	O4	sing	1.43Å	1.41Å
C4	C5	sing	1.53Å	1.52Å
C5	O5	sing	1.43Å	1.41Å
C5	C6	sing	1.53Å	1.52Å
C6	O6	sing	1.43Å	1.41Å
O12	S12	sing	1.52Å	1.50Å
S12	O22	doub	1.42Å	1.46Å
S12	O32	doub	1.42Å	1.47Å
N2	HN21	sing	0.97Å	1.00Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
O12	HO12	sing	0.97Å	0.95Å
O3S	HO3S	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	N2	C2	120.0°	120.0°
N2	S1	O1S	106.8°	106.4°
N2	S1	O2S	106.8°	106.5°
N2	S1	O3S	106.8°	107.2°
S1	N2	HN21	106.1°	120.0°
N2	C2	C1	110.0°	109.6°
N2	C2	C3	110.0°	109.5°
C2	N2	HN21	106.1°	120.0°
N2	C2	H2	109.2°	109.5°
O1	C1	C2	109.5°	109.5°
O1	C1	O5	109.5°	109.5°
O1	C1	H1	109.5°	109.5°
C1	O1	HO1	109.5°	114.0°
C2	C1	O5	109.5°	109.4°
C1	C2	C3	110.9°	109.2°
C2	C1	H1	109.5°	109.5°
C1	C2	H2	108.3°	109.6°
C1	O5	C5	111.8°	114.1°
O5	C1	H1	109.5°	109.5°
O1S	S1	O2S	112.3°	123.1°
O1S	S1	O3S	111.8°	106.4°
O2S	S1	O3S	111.9°	106.4°
S1	O3S	HO3S	109.5°	114.0°
C2	C3	O3	109.5°	109.5°
C2	C3	C4	111.0°	109.0°
C3	C2	H2	108.3°	109.6°
C2	C3	H3	108.4°	109.6°
O3	C3	C4	109.4°	109.6°
C3	O3	S12	137.3°	114.0°
O3	C3	H3	110.0°	109.5°
C3	C4	O4	109.5°	109.5°
C3	C4	C5	111.0°	109.1°
C4	C3	H3	108.5°	109.7°
C3	C4	H4	108.5°	109.6°
O3	S12	O12	111.4°	107.2°
O3	S12	O22	126.3°	106.4°
O3	S12	O32	95.6°	106.4°
O4	C4	C5	109.5°	109.5°
O4	C4	H4	110.0°	109.6°
C4	O4	HO4	109.5°	113.9°
C4	C5	O5	109.5°	109.4°
C4	C5	C6	111.0°	109.5°
C5	C4	H4	108.5°	109.6°
C4	C5	H5	108.4°	109.5°
O5	C5	C6	109.5°	109.5°
O5	C5	H5	110.0°	109.5°
C5	C6	O6	109.5°	109.5°
C6	C5	H5	108.4°	109.5°
C5	C6	H61	109.5°	109.4°
C5	C6	H62	109.5°	109.4°
O6	C6	H61	109.5°	109.5°
O6	C6	H62	109.5°	109.5°
C6	O6	HO6	109.5°	114.0°
O12	S12	O22	107.5°	106.4°
O12	S12	O32	107.8°	106.4°
S12	O12	HO12	109.5°	114.0°
O22	S12	O32	106.4°	123.1°
H61	C6	H62	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	N2	C2	HN21	120.0°	179.6°
S1	N2	C2	C1	107.8°	94.9°
N2	S1	O1S	O2S	116.8°	123.0°
N2	S1	O1S	O3S	116.5°	114.1°
N2	S1	O2S	O3S	116.5°	114.1°
S1	N2	C2	C3	129.7°	145.4°
S1	N2	C2	H2	11.0°	25.2°
N2	S1	O3S	HO3S	116.5°	180.0°
N2	C2	C1	O1	57.7°	57.5°
N2	C2	C1	C3	122.0°	119.9°
N2	C2	C1	H2	119.3°	120.1°
N2	C2	C1	O5	177.8°	177.5°
C2	N2	S1	O1S	49.3°	178.6°
C2	N2	S1	O2S	169.6°	48.5°
C2	N2	S1	O3S	70.5°	65.1°
N2	C2	C3	H2	119.3°	120.1°
N2	C2	C3	O3	68.9°	63.2°
N2	C2	C3	C4	170.1°	177.0°
N2	C2	C1	H1	62.2°	62.5°
N2	C2	C3	H3	51.1°	57.0°
O1	C1	C2	O5	120.1°	120.0°
O1	C1	C2	H1	120.0°	120.0°
O1	C1	O5	H1	120.0°	120.0°
O1	C1	C2	C3	64.2°	62.4°
O1	C1	O5	C5	54.4°	58.8°
O1	C1	C2	H2	177.1°	177.6°
C2	C1	O5	H1	120.0°	120.0°
C1	C2	C3	H2	118.7°	120.0°
C1	C2	C3	O3	169.1°	176.9°
C1	C2	C3	C4	48.2°	57.0°
C2	C1	O5	C5	65.7°	61.2°
C1	C2	N2	HN21	12.3°	84.6°
C2	C1	O1	HO1	180.0°	180.0°
C1	C2	C3	H3	70.9°	63.0°
O5	C1	C2	C3	55.8°	57.6°
C1	O5	C5	C4	65.6°	61.2°
C1	O5	C5	C6	172.5°	178.8°
O5	C1	O1	HO1	59.9°	60.1°
O5	C1	C2	H2	62.9°	62.4°
C1	O5	C5	H5	53.4°	58.8°
O1S	S1	O2S	O3S	126.7°	122.9°
O1S	S1	N2	HN21	169.3°	1.8°
O1S	S1	O3S	HO3S	127.0°	66.5°
O2S	S1	N2	HN21	70.4°	131.1°
O2S	S1	O3S	HO3S	0.0°	66.4°
O3S	S1	N2	HN21	49.5°	115.4°
C2	C3	O3	C4	121.9°	119.5°
C2	C3	O3	H3	119.0°	120.2°
C2	C3	C4	H3	119.0°	119.9°
C2	C3	O3	S12	144.6°	145.0°
C2	C3	C4	O4	169.0°	176.9°
C2	C3	C4	C5	48.1°	57.0°
C3	C2	N2	HN21	110.3°	35.1°
C3	C2	C1	H1	175.8°	177.6°
C2	C3	C4	H4	70.9°	63.0°
O3	C3	C4	H3	120.0°	120.2°
O3	C3	C4	O4	70.0°	63.3°
O3	C3	C4	C5	169.1°	176.8°
C3	O3	S12	O12	171.1°	75.0°
C3	O3	S12	O22	37.7°	171.4°
C3	O3	S12	O32	77.3°	38.5°
O3	C3	C2	H2	50.4°	56.9°
O3	C3	C4	H4	50.0°	56.9°
C4	C3	O3	S12	93.6°	95.5°
C3	C4	O4	C5	121.9°	119.6°
C3	C4	O4	H4	119.1°	120.2°
C3	C4	C5	H4	119.0°	120.0°
C3	C4	C5	O5	55.7°	57.7°
C3	C4	C5	C6	176.7°	177.6°
C4	C3	C2	H2	70.5°	63.0°
C3	C4	O4	HO4	180.0°	180.0°
C3	C4	C5	H5	64.3°	62.3°
O3	S12	O12	O22	142.1°	113.5°
O3	S12	O12	O32	103.6°	113.6°
O3	S12	O22	O32	109.9°	122.9°
S12	O3	C3	H3	25.5°	24.8°
O3	S12	O12	HO12	142.1°	180.0°
O4	C4	C5	H4	120.0°	120.2°
O4	C4	C5	O5	176.7°	177.5°
O4	C4	C5	C6	62.4°	62.6°
O4	C4	C3	H3	50.0°	56.9°
O4	C4	C5	H5	56.6°	57.5°
C4	C5	O5	C6	121.9°	120.0°
C4	C5	O5	H5	119.0°	120.0°
C4	C5	C6	H5	119.0°	120.1°
C4	C5	C6	O6	138.4°	175.0°
C5	C4	C3	H3	70.9°	62.9°
C5	C4	O4	HO4	58.1°	60.4°
C4	C5	C6	H61	101.6°	55.0°
C4	C5	C6	H62	18.4°	65.0°
O5	C5	C6	H5	120.0°	120.0°
O5	C5	C6	O6	17.4°	65.1°
C5	O5	C1	H1	174.4°	178.8°
O5	C5	C4	H4	63.3°	62.3°
O5	C5	C6	H61	137.4°	174.9°
O5	C5	C6	H62	102.6°	55.0°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.0°	120.0°
C6	C5	C4	H4	57.6°	57.7°
C5	C6	H61	H62	120.0°	119.9°
C5	C6	O6	HO6	180.0°	180.0°
O6	C6	C5	H5	102.6°	54.9°
O6	C6	H61	H62	120.0°	120.1°
O12	S12	O22	O32	115.2°	123.0°
O22	S12	O12	HO12	0.0°	66.4°
O32	S12	O12	HO12	114.3°	66.5°
HN21	N2	C2	H2	131.0°	155.2°
H1	C1	O1	HO1	60.1°	60.0°
H1	C1	C2	H2	57.1°	57.6°
H2	C2	C3	H3	170.4°	177.0°
H3	C3	C4	H4	170.1°	177.1°
H4	C4	O4	HO4	60.9°	59.8°
H4	C4	C5	H5	176.7°	177.7°
H5	C5	C6	H61	17.4°	65.1°
H5	C5	C6	H62	137.4°	175.0°
H61	C6	O6	HO6	60.0°	60.1°
H62	C6	O6	HO6	60.0°	60.0°

Release date:	2012-11-23
Definition date:	2011-11-03
Last modified:	2020-07-17
Release status:	REL
Processing site:	PDBJ
Derived from:	3UD8