NG6

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	1.38Å
C1	O5	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.12Å
C2	C3	sing	1.53Å	1.53Å
C2	N2	sing	1.47Å	1.45Å
C2	H2	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.44Å
C3	H3	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.54Å
C4	O4	sing	1.43Å	1.42Å
C4	H4	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.52Å
C5	O5	sing	1.42Å	1.45Å
C5	H5	sing	1.09Å	1.12Å
C6	O6	sing	1.43Å	1.42Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	sing	1.51Å	1.50Å
C7	N2	sing	1.35Å	1.33Å
C7	O7	doub	1.21Å	1.24Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.11Å
C8	H83	sing	1.09Å	1.12Å
N2	HN2	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	S	sing	1.52Å	1.44Å
S	O1S	doub	1.42Å	1.43Å
S	O2S	doub	1.42Å	1.43Å
S	O3S	sing	1.52Å	1.44Å
O3S	HOS3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	109.8°	109.4°
C2	C1	O5	108.7°	109.8°
C2	C1	H1	109.4°	109.4°
C1	C2	C3	107.9°	109.1°
C1	C2	N2	111.1°	109.6°
C1	C2	H2	110.0°	109.6°
O1	C1	O5	108.3°	109.4°
O1	C1	H1	109.8°	109.4°
C1	O1	HO1	109.7°	106.8°
O5	C1	H1	110.8°	109.4°
C1	O5	C5	112.9°	107.7°
C3	C2	N2	111.0°	109.5°
C3	C2	H2	110.1°	109.6°
C2	C3	C4	111.6°	108.6°
C2	C3	O3	109.5°	109.8°
C2	C3	H3	108.1°	109.5°
N2	C2	H2	106.8°	109.5°
C2	N2	C7	120.2°	120.0°
C2	N2	HN2	124.1°	120.1°
C4	C3	O3	109.6°	109.6°
C4	C3	H3	107.9°	109.7°
C3	C4	C5	113.4°	109.1°
C3	C4	O4	110.2°	109.6°
C3	C4	H4	106.5°	109.5°
O3	C3	H3	110.1°	109.6°
C3	O3	HO3	109.4°	106.8°
C5	C4	O4	110.5°	109.6°
C5	C4	H4	106.2°	109.6°
C4	C5	C6	111.6°	109.3°
C4	C5	O5	111.8°	109.8°
C4	C5	H5	105.6°	109.4°
O4	C4	H4	109.7°	109.5°
C4	O4	HO4	110.2°	106.8°
C6	C5	O5	106.9°	109.5°
C6	C5	H5	110.6°	109.5°
C5	C6	O6	111.2°	109.5°
C5	C6	H61	111.6°	109.4°
C5	C6	H62	111.6°	109.5°
O5	C5	H5	110.5°	109.4°
O6	C6	H61	111.5°	109.4°
O6	C6	H62	111.6°	109.5°
C6	O6	S	113.2°	106.8°
H61	C6	H62	98.8°	109.6°
C8	C7	N2	119.0°	120.0°
C8	C7	O7	118.6°	120.0°
C7	C8	H81	119.0°	109.5°
C7	C8	H82	108.8°	109.5°
C7	C8	H83	108.8°	109.5°
N2	C7	O7	122.4°	120.0°
C7	N2	HN2	115.7°	120.0°
H81	C8	H82	108.8°	109.5°
H81	C8	H83	108.8°	109.5°
H82	C8	H83	101.2°	109.4°
O6	S	O1S	104.2°	105.8°
O6	S	O2S	110.0°	105.7°
O6	S	O3S	113.9°	107.4°
O1S	S	O2S	109.5°	125.4°
O1S	S	O3S	109.6°	105.7°
O2S	S	O3S	109.5°	105.8°
S	O3S	HOS3	113.8°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O5	118.6°	120.3°
C2	C1	O1	H1	120.3°	119.9°
C2	C1	O5	H1	120.2°	120.1°
C1	C2	C3	N2	121.9°	119.9°
C1	C2	C3	H2	120.0°	120.0°
C1	C2	N2	H2	119.9°	120.2°
C1	C2	C3	C4	54.2°	53.6°
C1	C2	C3	O3	175.7°	173.5°
C1	C2	C3	H3	64.3°	66.1°
C2	C1	O5	C5	66.9°	67.6°
C1	C2	N2	C7	110.6°	90.2°
C1	C2	N2	HN2	69.4°	89.7°
C2	C1	O1	HO1	180.0°	180.0°
O1	C1	O5	H1	120.5°	119.8°
O1	C1	C2	C3	176.6°	178.7°
O1	C1	C2	N2	54.8°	58.9°
O1	C1	C2	H2	63.3°	61.3°
O1	C1	O5	C5	173.8°	172.3°
O5	C1	C2	C3	65.0°	61.2°
O5	C1	C2	N2	173.1°	179.0°
O5	C1	C2	H2	55.1°	58.8°
C1	O5	C5	C4	54.8°	67.6°
C1	O5	C5	C6	177.2°	172.4°
C1	O5	C5	H5	62.4°	52.5°
O5	C1	O1	HO1	61.4°	59.6°
H1	C1	C2	C3	56.1°	58.8°
H1	C1	C2	N2	65.8°	61.0°
H1	C1	C2	H2	176.2°	178.8°
H1	C1	O5	C5	53.4°	52.5°
H1	C1	O1	HO1	59.7°	60.2°
C3	C2	N2	H2	120.0°	120.2°
C2	C3	C4	O3	121.4°	120.0°
C2	C3	C4	H3	118.7°	119.6°
C2	C3	O3	H3	118.7°	120.3°
C2	C3	C4	C5	44.4°	53.6°
C2	C3	C4	O4	80.1°	66.3°
C2	C3	C4	H4	160.9°	173.5°
C3	C2	N2	C7	129.4°	150.2°
C3	C2	N2	HN2	50.6°	29.9°
C2	C3	O3	HO3	180.0°	179.3°
N2	C2	C3	C4	176.2°	173.5°
N2	C2	C3	O3	62.3°	66.6°
N2	C2	C3	H3	57.6°	53.8°
C2	N2	C7	C8	179.7°	180.0°
C2	N2	C7	HN2	180.0°	179.9°
C2	N2	C7	O7	0.4°	0.1°
H2	C2	C3	C4	65.8°	66.3°
H2	C2	C3	O3	55.7°	53.5°
H2	C2	C3	H3	175.7°	174.0°
H2	C2	N2	C7	9.3°	30.1°
H2	C2	N2	HN2	170.6°	150.1°
C4	C3	O3	H3	118.6°	120.4°
C3	C4	C5	O4	124.4°	120.0°
C3	C4	C5	H4	116.7°	119.9°
C3	C4	O4	H4	117.0°	120.1°
C3	C4	C5	C6	162.6°	178.7°
C3	C4	C5	O5	43.0°	61.2°
C3	C4	C5	H5	77.1°	58.8°
C4	C3	O3	HO3	57.4°	60.0°
C3	C4	O4	HO4	180.0°	179.6°
O3	C3	C4	C5	165.8°	173.6°
O3	C3	C4	O4	41.3°	53.7°
O3	C3	C4	H4	77.7°	66.5°
H3	C3	C4	C5	74.3°	66.0°
H3	C3	C4	O4	161.2°	174.1°
H3	C3	C4	H4	42.2°	53.9°
H3	C3	O3	HO3	61.2°	60.4°
C5	C4	O4	H4	116.8°	120.2°
C4	C5	C6	O5	122.5°	120.3°
C4	C5	C6	H5	117.2°	119.8°
C4	C5	O5	H5	117.3°	120.0°
C4	C5	C6	O6	176.2°	179.7°
C4	C5	C6	H61	51.0°	59.8°
C4	C5	C6	H62	58.5°	60.3°
C5	C4	O4	HO4	53.8°	59.9°
O4	C4	C5	C6	38.3°	61.3°
O4	C4	C5	O5	81.3°	58.7°
O4	C4	C5	H5	158.5°	178.8°
H4	C4	C5	C6	80.6°	58.9°
H4	C4	C5	O5	159.7°	178.9°
H4	C4	C5	H5	39.6°	61.0°
H4	C4	O4	HO4	63.0°	60.3°
C6	C5	O5	H5	120.4°	120.0°
C5	C6	O6	H61	125.2°	119.9°
C5	C6	O6	H62	125.3°	120.0°
C5	C6	H61	H62	117.5°	120.0°
C5	C6	O6	S	161.5°	180.0°
O5	C5	C6	O6	61.4°	60.0°
O5	C5	C6	H61	173.4°	180.0°
O5	C5	C6	H62	63.9°	59.9°
H5	C5	C6	O6	58.9°	59.9°
H5	C5	C6	H61	66.3°	60.1°
H5	C5	C6	H62	175.8°	179.8°
O6	C6	H61	H62	117.5°	120.0°
C6	O6	S	O1S	157.0°	157.4°
C6	O6	S	O2S	85.7°	22.6°
C6	O6	S	O3S	37.7°	90.0°
H61	C6	O6	S	36.3°	60.0°
H62	C6	O6	S	73.2°	60.0°
C8	C7	N2	O7	179.9°	180.0°
C7	C8	H81	H82	125.3°	120.0°
C7	C8	H81	H83	125.3°	120.0°
C7	C8	H82	H83	114.5°	119.9°
C8	C7	N2	HN2	0.3°	0.1°
N2	C7	C8	H81	180.0°	180.0°
N2	C7	C8	H82	54.7°	59.9°
N2	C7	C8	H83	54.7°	60.0°
O7	C7	C8	H81	0.1°	0.0°
O7	C7	C8	H82	125.2°	120.1°
O7	C7	C8	H83	125.4°	120.0°
O7	C7	N2	HN2	179.6°	179.9°
H81	C8	H82	H83	114.5°	120.0°
O6	S	O1S	O2S	117.7°	123.1°
O6	S	O1S	O3S	122.2°	113.7°
O6	S	O2S	O3S	125.9°	113.7°
O6	S	O3S	HOS3	180.0°	179.9°
O1S	S	O2S	O3S	120.2°	123.2°
O1S	S	O3S	HOS3	63.8°	67.5°
O2S	S	O3S	HOS3	56.3°	67.4°

Definition date:	2000-12-12
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1HMW