NK1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	C7	sing	1.42Å	1.43Å
O7	HO7	sing	0.97Å	0.95Å
C7	C6	sing	1.53Å	1.52Å
C7	C8	sing	1.53Å	1.52Å
C7	H7	sing	1.09Å	1.10Å
C6	C5	sing	1.53Å	1.52Å
C6	S1	sing	1.84Å	1.80Å
C6	H6	sing	1.10Å	1.10Å
C5	O5	sing	1.43Å	1.43Å
C5	C4	sing	1.53Å	1.54Å
C5	H5	sing	1.10Å	1.10Å
O5	HO5	sing	0.97Å	0.95Å
C4	C3	sing	1.53Å	1.53Å
C4	H41	sing	1.10Å	1.10Å
C4	H42	sing	1.10Å	1.10Å
C3	C2	sing	1.52Å	1.53Å
C3	H31	sing	1.10Å	1.10Å
C3	H32	sing	1.10Å	1.10Å
C2	S1	sing	1.82Å	1.81Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
S1	C9	sing	1.85Å	1.80Å
C9	C8	sing	1.52Å	1.54Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C8	O8	sing	1.43Å	1.43Å
C8	H8	sing	1.09Å	1.10Å
O8	HO8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	O7	HO7	109.5°	106.9°
O7	C7	C6	108.4°	110.4°
O7	C7	C8	115.0°	111.1°
O7	C7	H7	105.9°	107.8°
C6	C7	C8	107.7°	105.3°
C6	C7	H7	113.4°	112.2°
C7	C6	C5	116.7°	116.0°
C7	C6	S1	100.2°	106.1°
C7	C6	H6	112.5°	109.2°
C8	C7	H7	106.7°	110.1°
C7	C8	C9	106.4°	106.8°
C7	C8	O8	112.4°	110.0°
C7	C8	H8	109.4°	112.1°
C5	C6	S1	113.5°	113.1°
C5	C6	H6	99.0°	107.2°
C6	C5	O5	107.1°	109.4°
C6	C5	C4	114.8°	115.4°
C6	C5	H5	106.8°	109.1°
S1	C6	H6	115.8°	104.7°
C6	S1	C2	103.1°	96.9°
C6	S1	C9	96.7°	92.6°
O5	C5	C4	107.1°	108.1°
O5	C5	H5	114.6°	105.9°
C5	O5	HO5	109.5°	106.3°
C4	C5	H5	106.8°	108.5°
C5	C4	C3	113.4°	113.0°
C5	C4	H41	108.2°	109.2°
C5	C4	H42	107.3°	109.9°
C3	C4	H41	108.2°	108.0°
C3	C4	H42	107.3°	109.5°
C4	C3	C2	113.7°	111.3°
C4	C3	H31	108.1°	108.6°
C4	C3	H32	107.2°	110.3°
H41	C4	H42	112.6°	106.9°
C2	C3	H31	108.1°	108.9°
C2	C3	H32	107.1°	110.8°
C3	C2	S1	110.3°	110.9°
C3	C2	H21	109.2°	110.1°
C3	C2	H22	109.0°	110.2°
H31	C3	H32	112.8°	106.8°
S1	C2	H21	109.2°	111.3°
S1	C2	H22	109.0°	106.7°
C2	S1	C9	105.1°	96.3°
H21	C2	H22	110.1°	107.6°
S1	C9	C8	105.8°	107.5°
S1	C9	H91	110.7°	107.0°
S1	C9	H92	111.5°	109.4°
C8	C9	H91	110.7°	112.0°
C8	C9	H92	111.5°	111.9°
C9	C8	O8	108.9°	109.3°
C9	C8	H8	112.8°	112.0°
H91	C9	H92	106.6°	108.9°
O8	C8	H8	106.9°	106.7°
C8	O8	HO8	109.5°	106.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	C7	C6	C8	124.9°	120.0°
O7	C7	C6	H7	117.3°	120.2°
O7	C7	C8	H7	117.0°	119.3°
O7	C7	C6	C5	63.8°	70.7°
O7	C7	C6	S1	173.2°	162.8°
O7	C7	C6	H6	49.6°	50.5°
O7	C7	C8	C9	169.1°	168.7°
O7	C7	C8	O8	49.9°	50.1°
O7	C7	C8	H8	68.7°	68.4°
HO7	O7	C7	C6	147.5°	136.2°
HO7	O7	C7	C8	92.0°	19.7°
HO7	O7	C7	H7	25.5°	101.0°
C6	C7	C8	H7	122.1°	121.1°
C7	C6	C5	S1	115.8°	122.9°
C7	C6	C5	H6	120.9°	122.2°
C7	C6	S1	H6	121.3°	115.4°
C7	C6	C5	O5	177.2°	169.3°
C7	C6	C5	C4	64.1°	68.6°
C7	C6	C5	H5	54.0°	53.9°
C7	C6	S1	C2	77.8°	76.0°
C7	C6	S1	C9	29.5°	20.6°
C6	C7	C8	C9	48.2°	49.1°
C6	C7	C8	O8	71.0°	69.5°
C6	C7	C8	H8	170.4°	172.0°
C8	C7	C6	C5	171.2°	169.3°
C8	C7	C6	S1	48.3°	42.8°
C8	C7	C6	H6	75.3°	69.5°
C7	C8	C9	S1	23.4°	33.0°
C7	C8	C9	O8	121.4°	119.0°
C7	C8	C9	H8	120.0°	123.0°
C7	C8	C9	H91	96.6°	150.2°
C7	C8	C9	H92	144.9°	87.2°
C7	C8	O8	H8	120.1°	121.8°
C7	C8	O8	HO8	59.4°	73.6°
H7	C7	C6	C5	53.5°	49.6°
H7	C7	C6	S1	69.5°	77.0°
H7	C7	C6	H6	166.9°	170.7°
H7	C7	C8	C9	73.9°	72.0°
H7	C7	C8	O8	166.9°	169.4°
H7	C7	C8	H8	48.3°	50.9°
C5	C6	S1	H6	113.5°	116.3°
C6	C5	O5	C4	123.6°	126.4°
C6	C5	O5	H5	118.2°	117.4°
C6	C5	C4	H5	118.1°	122.8°
C6	C5	O5	HO5	109.0°	129.8°
C6	C5	C4	C3	55.9°	54.4°
C6	C5	C4	H41	64.1°	174.7°
C6	C5	C4	H42	174.2°	68.3°
C5	C6	S1	C2	47.4°	52.2°
C5	C6	S1	C9	154.7°	148.9°
S1	C6	C5	O5	67.0°	67.8°
S1	C6	C5	C4	51.7°	54.3°
S1	C6	C5	H5	169.8°	176.8°
C6	S1	C2	C3	51.0°	59.3°
C6	S1	C2	C9	100.8°	93.4°
C6	S1	C2	H21	69.1°	63.6°
C6	S1	C2	H22	170.6°	179.2°
C6	S1	C9	C8	4.0°	7.0°
C6	S1	C9	H91	124.0°	127.4°
C6	S1	C9	H92	117.4°	114.7°
H6	C6	C5	O5	56.3°	47.0°
H6	C6	C5	C4	175.0°	169.1°
H6	C6	C5	H5	66.9°	68.4°
H6	C6	S1	C2	160.9°	168.6°
H6	C6	S1	C9	91.8°	94.8°
O5	C5	C4	H5	123.1°	114.4°
O5	C5	C4	C3	62.8°	68.3°
O5	C5	C4	H41	177.2°	51.9°
O5	C5	C4	H42	55.4°	169.0°
C4	C5	O5	HO5	127.4°	3.4°
C5	C4	C3	H41	120.0°	121.0°
C5	C4	C3	H42	118.3°	122.9°
C5	C4	H41	H42	118.4°	118.9°
C5	C4	C3	C2	61.4°	60.9°
C5	C4	C3	H31	178.6°	179.2°
C5	C4	C3	H32	56.8°	62.5°
H5	C5	O5	HO5	9.2°	112.7°
H5	C5	C4	C3	174.1°	177.3°
H5	C5	C4	H41	54.1°	62.5°
H5	C5	C4	H42	67.7°	54.6°
C3	C4	H41	H42	118.4°	117.8°
C4	C3	C2	H31	120.0°	119.7°
C4	C3	C2	H32	118.2°	123.1°
C4	C3	H31	H32	118.3°	119.0°
C4	C3	C2	S1	60.7°	67.9°
C4	C3	C2	H21	59.3°	55.7°
C4	C3	C2	H22	179.6°	174.3°
H41	C4	C3	C2	58.6°	178.1°
H41	C4	C3	H31	61.4°	58.2°
H41	C4	C3	H32	176.8°	58.5°
H42	C4	C3	C2	179.6°	62.0°
H42	C4	C3	H31	60.4°	57.9°
H42	C4	C3	H32	61.5°	174.6°
C2	C3	H31	H32	118.3°	119.7°
C3	C2	S1	H21	120.0°	122.9°
C3	C2	S1	H22	119.7°	120.0°
C3	C2	H21	H22	119.7°	120.1°
C3	C2	S1	C9	151.8°	152.6°
H31	C3	C2	S1	179.3°	172.4°
H31	C3	C2	H21	60.7°	64.0°
H31	C3	C2	H22	59.6°	54.6°
H32	C3	C2	S1	57.5°	55.2°
H32	C3	C2	H21	177.5°	178.8°
H32	C3	C2	H22	62.2°	62.6°
S1	C2	H21	H22	119.7°	116.5°
C2	S1	C9	C8	101.5°	104.2°
C2	S1	C9	H91	18.4°	135.3°
C2	S1	C9	H92	137.0°	17.5°
H21	C2	S1	C9	31.8°	29.7°
H22	C2	S1	C9	88.5°	87.4°
S1	C9	C8	H91	120.0°	117.2°
S1	C9	C8	H92	121.4°	120.1°
S1	C9	H91	H92	121.5°	118.1°
S1	C9	C8	O8	97.9°	86.0°
S1	C9	C8	H8	143.5°	155.9°
C8	C9	H91	H92	121.5°	124.3°
C9	C8	O8	H8	122.2°	121.3°
C9	C8	O8	HO8	177.1°	43.4°
H91	C9	C8	O8	142.0°	31.2°
H91	C9	C8	H8	23.5°	86.8°
H92	C9	C8	O8	23.5°	153.8°
H92	C9	C8	H8	95.1°	35.8°
H8	C8	O8	HO8	60.7°	164.7°

Definition date:	2007-03-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB