NSK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.36Å	1.25Å
O1	HO1	sing	0.98Å	0.95Å
O2	C1	doub	1.22Å	1.27Å
C1	C2	sing	1.51Å	1.54Å
C2	C3	sing	1.52Å	1.52Å
C2	H21	sing	1.10Å	1.10Å
C2	H22	sing	1.10Å	1.10Å
C3	C4	sing	1.52Å	1.52Å
C3	H31	sing	1.10Å	1.10Å
C3	H32	sing	1.10Å	1.10Å
O3	C4	doub	1.23Å	1.23Å
C4	N1	sing	1.39Å	1.40Å
N1	C5	sing	1.44Å	1.48Å
N1	HN1	sing	1.02Å	1.00Å
C5	C6	sing	1.52Å	1.56Å
C5	C7	sing	1.53Å	1.55Å
C5	H5	sing	1.09Å	1.10Å
C6	O4	doub	1.23Å	1.27Å
C6	O5	sing	1.36Å	1.27Å
C7	C8	sing	1.53Å	1.54Å
C7	H71	sing	1.10Å	1.10Å
C7	H72	sing	1.10Å	1.10Å
C8	C9	sing	1.53Å	1.53Å
C8	H81	sing	1.10Å	1.10Å
C8	H82	sing	1.10Å	1.10Å
C9	C10	sing	1.53Å	1.52Å
C9	H91	sing	1.10Å	1.10Å
C9	H92	sing	1.10Å	1.10Å
C10	N2	sing	1.46Å	1.49Å
C10	H101	sing	1.10Å	1.10Å
C10	H102	sing	1.10Å	1.10Å
N2	HN21	sing	1.00Å	1.00Å
N2	HN22	sing	1.00Å	1.00Å
O5	HO5	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	HO1	109.5°	114.9°
O1	C1	O2	128.9°	123.1°
O1	C1	C2	116.7°	111.4°
O2	C1	C2	114.5°	125.4°
C1	C2	C3	114.4°	112.0°
C1	C2	H21	107.9°	108.3°
C1	C2	H22	106.7°	108.3°
C3	C2	H21	107.8°	109.8°
C3	C2	H22	106.7°	109.8°
C2	C3	C4	113.0°	112.5°
C2	C3	H31	108.3°	110.0°
C2	C3	H32	107.5°	110.1°
H21	C2	H22	113.4°	108.6°
C4	C3	H31	108.3°	108.3°
C4	C3	H32	107.5°	108.3°
C3	C4	O3	120.9°	123.2°
C3	C4	N1	114.0°	111.7°
H31	C3	H32	112.2°	107.4°
O3	C4	N1	125.1°	125.1°
C4	N1	C5	124.7°	123.2°
C4	N1	HN1	117.7°	118.9°
C5	N1	HN1	117.6°	117.9°
N1	C5	C6	111.8°	106.5°
N1	C5	C7	109.8°	112.4°
N1	C5	H5	108.1°	106.3°
C6	C5	C7	110.7°	110.2°
C6	C5	H5	107.1°	109.0°
C5	C6	O4	116.9°	125.2°
C5	C6	O5	114.6°	112.0°
C7	C5	H5	109.2°	112.2°
C5	C7	C8	112.2°	114.7°
C5	C7	H71	108.6°	109.3°
C5	C7	H72	107.9°	109.5°
O4	C6	O5	128.5°	122.8°
C6	O5	HO5	109.5°	115.3°
C8	C7	H71	108.6°	108.1°
C8	C7	H72	107.9°	108.9°
C7	C8	C9	111.6°	113.2°
C7	C8	H81	108.8°	107.9°
C7	C8	H82	108.3°	109.7°
H71	C7	H72	111.7°	105.9°
C9	C8	H81	108.7°	109.0°
C9	C8	H82	108.3°	110.3°
C8	C9	C10	110.6°	113.0°
C8	C9	H91	109.1°	110.2°
C8	C9	H92	108.8°	109.2°
H81	C8	H82	111.2°	106.6°
C10	C9	H91	109.1°	109.2°
C10	C9	H92	108.8°	108.3°
C9	C10	N2	109.1°	111.9°
C9	C10	H101	109.6°	110.0°
C9	C10	H102	109.7°	109.1°
H91	C9	H92	110.4°	106.8°
N2	C10	H101	109.6°	109.3°
N2	C10	H102	109.6°	109.0°
C10	N2	HN21	109.5°	118.2°
C10	N2	HN22	109.5°	118.2°
H101	C10	H102	109.2°	107.4°
HN21	N2	HN22	109.5°	122.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	179.9°	179.9°
O1	C1	C2	C3	58.5°	178.8°
O1	C1	C2	H21	61.5°	60.0°
O1	C1	C2	H22	176.4°	57.6°
HO1	O1	C1	O2	0.0°	0.0°
HO1	O1	C1	C2	179.9°	180.0°
O2	C1	C2	C3	121.5°	1.2°
O2	C1	C2	H21	118.5°	120.0°
O2	C1	C2	H22	3.7°	122.3°
C1	C2	C3	H21	120.0°	120.3°
C1	C2	C3	H22	117.8°	120.3°
C1	C2	H21	H22	118.0°	117.5°
C1	C2	C3	C4	177.9°	179.7°
C1	C2	C3	H31	62.1°	59.5°
C1	C2	C3	H32	59.4°	58.7°
C3	C2	H21	H22	118.0°	120.0°
C2	C3	C4	H31	120.0°	121.8°
C2	C3	C4	H32	118.5°	121.9°
C2	C3	H31	H32	118.6°	119.9°
C2	C3	C4	O3	138.6°	0.1°
C2	C3	C4	N1	42.0°	180.0°
H21	C2	C3	C4	57.9°	60.0°
H21	C2	C3	H31	177.8°	60.9°
H21	C2	C3	H32	60.6°	179.1°
H22	C2	C3	C4	64.3°	59.3°
H22	C2	C3	H31	55.7°	179.8°
H22	C2	C3	H32	177.2°	61.6°
C4	C3	H31	H32	118.5°	116.8°
C3	C4	O3	N1	179.4°	179.9°
C3	C4	N1	C5	173.0°	179.9°
C3	C4	N1	HN1	7.0°	1.5°
H31	C3	C4	O3	101.4°	121.9°
H31	C3	C4	N1	78.0°	58.1°
H32	C3	C4	O3	20.1°	121.8°
H32	C3	C4	N1	160.5°	58.1°
O3	C4	N1	C5	6.4°	0.0°
O3	C4	N1	HN1	173.6°	178.4°
C4	N1	C5	HN1	180.0°	178.4°
C4	N1	C5	C6	52.5°	86.1°
C4	N1	C5	C7	70.7°	153.2°
C4	N1	C5	H5	170.2°	30.0°
N1	C5	C6	C7	122.7°	122.2°
N1	C5	C6	H5	118.2°	114.3°
N1	C5	C7	H5	118.4°	119.7°
N1	C5	C6	O4	144.9°	35.7°
N1	C5	C6	O5	34.8°	146.6°
N1	C5	C7	C8	66.8°	62.9°
N1	C5	C7	H71	53.1°	58.6°
N1	C5	C7	H72	174.4°	174.3°
HN1	N1	C5	C6	127.5°	95.5°
HN1	N1	C5	C7	109.3°	25.2°
HN1	N1	C5	H5	9.8°	148.3°
C6	C5	C7	H5	117.8°	121.6°
C5	C6	O4	O5	179.7°	177.5°
C6	C5	C7	C8	169.3°	178.4°
C6	C5	C7	H71	70.7°	60.0°
C6	C5	C7	H72	50.5°	55.7°
C5	C6	O5	HO5	179.7°	177.7°
C7	C5	C6	O4	22.2°	86.5°
C7	C5	C6	O5	157.5°	91.2°
C5	C7	C8	H71	120.0°	122.3°
C5	C7	C8	H72	118.8°	123.1°
C5	C7	H71	H72	118.9°	117.9°
C5	C7	C8	C9	166.8°	177.8°
C5	C7	C8	H81	46.8°	61.6°
C5	C7	C8	H82	74.2°	54.1°
H5	C5	C6	O4	96.8°	150.0°
H5	C5	C6	O5	83.5°	32.3°
H5	C5	C7	C8	51.5°	56.8°
H5	C5	C7	H71	171.5°	178.4°
H5	C5	C7	H72	67.3°	66.0°
O4	C6	O5	HO5	0.0°	0.1°
C8	C7	H71	H72	118.9°	116.6°
C7	C8	C9	H81	120.0°	120.1°
C7	C8	C9	H82	119.1°	123.3°
C7	C8	H81	H82	119.1°	117.7°
C7	C8	C9	C10	176.0°	177.5°
C7	C8	C9	H91	56.0°	60.0°
C7	C8	C9	H92	64.5°	57.0°
H71	C7	C8	C9	73.3°	60.0°
H71	C7	C8	H81	166.8°	60.7°
H71	C7	C8	H82	45.8°	176.4°
H72	C7	C8	C9	48.0°	54.7°
H72	C7	C8	H81	72.0°	175.4°
H72	C7	C8	H82	167.0°	69.0°
C9	C8	H81	H82	119.1°	119.0°
C8	C9	C10	H91	120.0°	123.0°
C8	C9	C10	H92	119.5°	121.1°
C8	C9	H91	H92	119.5°	118.5°
C8	C9	C10	N2	76.0°	178.3°
C8	C9	C10	H101	44.0°	60.0°
C8	C9	C10	H102	163.9°	57.6°
H81	C8	C9	C10	64.0°	57.5°
H81	C8	C9	H91	176.0°	179.9°
H81	C8	C9	H92	55.5°	63.1°
H82	C8	C9	C10	56.9°	59.1°
H82	C8	C9	H91	63.1°	63.3°
H82	C8	C9	H92	176.4°	179.7°
C10	C9	H91	H92	119.5°	116.8°
C9	C10	N2	H101	120.0°	122.1°
C9	C10	N2	H102	120.1°	120.8°
C9	C10	H101	H102	120.1°	118.6°
C9	C10	N2	HN21	97.2°	60.2°
C9	C10	N2	HN22	142.8°	133.2°
H91	C9	C10	N2	164.0°	58.7°
H91	C9	C10	H101	76.0°	63.0°
H91	C9	C10	H102	43.9°	179.4°
H92	C9	C10	N2	43.5°	57.2°
H92	C9	C10	H101	163.6°	178.9°
H92	C9	C10	H102	76.6°	63.5°
N2	C10	H101	H102	120.1°	118.1°
C10	N2	HN21	HN22	120.0°	166.0°
H101	C10	N2	HN21	22.9°	177.7°
H101	C10	N2	HN22	97.2°	11.1°
H102	C10	N2	HN21	142.7°	60.6°
H102	C10	N2	HN22	22.7°	106.0°

Definition date:	2007-04-05
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB