KHM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O24	C22	doub	1.21Å	1.27Å
C22	C21	sing	1.51Å	1.54Å
C22	O23	sing	1.34Å	1.26Å
C21	C16	sing	1.53Å	1.54Å
C21	C20	sing	1.53Å	1.54Å
C16	C17	sing	1.53Å	1.55Å
C16	N15	sing	1.46Å	1.47Å
C18	C17	sing	1.53Å	1.55Å
C18	C19	sing	1.53Å	1.54Å
C20	C19	sing	1.53Å	1.54Å
O25	C14	doub	1.22Å	1.19Å
N15	C14	sing	1.35Å	1.46Å
C14	C13	sing	1.46Å	1.53Å
C13	C26	sing	1.41Å	1.37Å	Aromatic
C13	C12	doub	1.41Å	1.40Å	Aromatic
C26	N27	doub	1.31Å	1.39Å	Aromatic
C12	N11	sing	1.33Å	1.38Å	Aromatic
C12	N28	sing	1.37Å	1.34Å	Aromatic
N11	C04	doub	1.33Å	1.34Å	Aromatic
C07	C06	doub	1.38Å	1.39Å	Aromatic
C07	C08	sing	1.38Å	1.39Å	Aromatic
C06	C05	sing	1.39Å	1.40Å	Aromatic
N27	N28	sing	1.40Å	1.36Å	Aromatic
N28	C02	sing	1.37Å	1.35Å	Aromatic
C04	C05	sing	1.48Å	1.54Å
C04	C03	sing	1.41Å	1.40Å	Aromatic
C05	C10	doub	1.39Å	1.40Å	Aromatic
C08	C09	doub	1.38Å	1.39Å	Aromatic
C02	C03	doub	1.36Å	1.38Å	Aromatic
C02	O01	sing	1.35Å	1.41Å
C10	C09	sing	1.38Å	1.40Å	Aromatic
C10	H101	sing	1.08Å	1.08Å
C17	H172	sing	1.09Å	1.10Å
C17	H171	sing	1.09Å	1.10Å
C20	H201	sing	1.09Å	1.10Å
C20	H202	sing	1.09Å	1.10Å
C21	H211	sing	1.09Å	1.10Å
C26	H261	sing	1.08Å	1.08Å
O01	H011	sing	0.97Å	0.95Å
C03	H031	sing	1.08Å	1.08Å
C06	H061	sing	1.08Å	1.08Å
C07	H071	sing	1.08Å	1.08Å
C08	H081	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
N15	H151	sing	0.97Å	1.00Å
C16	H161	sing	1.09Å	1.10Å
C18	H181	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C19	H191	sing	1.09Å	1.10Å
O23	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O24	C22	C21	120.1°	120.0°
O24	C22	O23	119.8°	120.0°
C21	C22	O23	120.0°	120.0°
C22	C21	C16	112.2°	109.5°
C22	C21	C20	111.5°	109.5°
C22	C21	H211	107.2°	109.4°
C22	O23	H1	109.5°	117.0°
C16	C21	C20	111.2°	109.4°
C21	C16	C17	110.8°	109.5°
C21	C16	N15	111.0°	109.5°
C16	C21	H211	107.2°	109.5°
C21	C16	H161	108.7°	109.5°
C21	C20	C19	112.4°	109.5°
C21	C20	H201	108.8°	109.5°
C21	C20	H202	108.7°	109.4°
C20	C21	H211	107.2°	109.5°
C17	C16	N15	108.1°	109.5°
C16	C17	C18	116.6°	109.5°
C16	C17	H172	107.7°	109.5°
C16	C17	H171	107.7°	109.4°
C17	C16	H161	108.6°	109.5°
C16	N15	C14	124.0°	120.0°
C16	N15	H151	118.0°	120.0°
N15	C16	H161	109.5°	109.5°
C17	C18	C19	116.1°	109.5°
C18	C17	H172	107.7°	109.5°
C18	C17	H171	107.7°	109.5°
C17	C18	H181	107.8°	109.5°
C17	C18	H182	107.8°	109.5°
C18	C19	C20	115.6°	109.4°
C19	C18	H181	107.8°	109.4°
C19	C18	H182	107.8°	109.5°
C18	C19	H192	107.9°	109.5°
C18	C19	H191	107.9°	109.5°
C19	C20	H201	108.7°	109.5°
C19	C20	H202	108.7°	109.5°
C20	C19	H192	107.9°	109.5°
C20	C19	H191	107.9°	109.5°
O25	C14	N15	121.1°	120.0°
O25	C14	C13	119.5°	120.0°
N15	C14	C13	119.3°	120.0°
C14	N15	H151	118.0°	120.0°
C14	C13	C26	127.4°	126.5°
C14	C13	C12	126.2°	126.6°
C26	C13	C12	106.2°	106.9°
C13	C26	N27	108.5°	108.7°
C13	C26	H261	125.8°	125.7°
C13	C12	N11	131.3°	132.4°
C13	C12	N28	108.7°	106.7°
C26	N27	N28	107.3°	109.6°
N27	C26	H261	125.8°	125.6°
N11	C12	N28	120.0°	120.9°
C12	N11	C04	121.2°	121.0°
C12	N28	N27	109.3°	108.1°
C12	N28	C02	120.9°	119.8°
N11	C04	C05	117.8°	120.1°
N11	C04	C03	118.1°	120.0°
C06	C07	C08	119.8°	120.1°
C07	C06	C05	121.0°	119.9°
C07	C06	H061	119.5°	120.1°
C06	C07	H071	120.1°	119.9°
C07	C08	C09	119.7°	120.3°
C08	C07	H071	120.1°	120.0°
C07	C08	H081	120.2°	119.8°
C06	C05	C04	119.2°	120.2°
C06	C05	C10	118.7°	119.7°
C05	C06	H061	119.5°	120.0°
N27	N28	C02	129.7°	132.1°
N28	C02	C03	119.3°	119.1°
N28	C02	O01	120.0°	120.4°
C05	C04	C03	124.0°	120.0°
C04	C05	C10	122.1°	120.1°
C04	C03	C02	120.4°	119.2°
C04	C03	H031	119.8°	120.4°
C05	C10	C09	120.1°	119.9°
C05	C10	H101	119.9°	120.0°
C08	C09	C10	120.7°	120.1°
C09	C08	H081	120.1°	119.9°
C08	C09	H091	119.7°	119.9°
C03	C02	O01	120.8°	120.5°
C02	C03	H031	119.8°	120.4°
C02	O01	H011	109.5°	114.0°
C09	C10	H101	119.9°	120.1°
C10	C09	H091	119.7°	119.9°
H172	C17	H171	109.5°	109.5°
H201	C20	H202	109.4°	109.4°
H181	C18	H182	109.5°	109.5°
H192	C19	H191	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O24	C22	C21	O23	177.5°	179.9°
O24	C22	C21	C16	78.5°	0.0°
O24	C22	C21	C20	156.0°	120.0°
O24	C22	C21	H211	39.0°	120.1°
O24	C22	O23	H1	0.0°	0.1°
C22	C21	C16	C20	125.7°	120.0°
C22	C21	C16	H211	117.4°	120.0°
C22	C21	C20	H211	117.1°	120.0°
C22	C21	C16	C17	175.3°	180.0°
C22	C21	C16	N15	64.5°	60.0°
C22	C21	C20	C19	176.0°	180.0°
C22	C21	C20	H201	63.5°	60.0°
C22	C21	C20	H202	55.5°	59.9°
C22	C21	C16	H161	56.0°	60.0°
C21	C22	O23	H1	177.5°	180.0°
O23	C22	C21	C16	104.0°	180.0°
O23	C22	C21	C20	21.5°	60.0°
O23	C22	C21	H211	138.6°	60.0°
C16	C21	C20	H211	116.9°	120.0°
C21	C16	C17	N15	121.9°	120.0°
C21	C16	C17	H161	119.3°	120.0°
C21	C16	N15	H161	120.1°	120.0°
C21	C16	C17	C18	14.1°	60.0°
C16	C21	C20	C19	57.9°	60.0°
C21	C16	N15	C14	103.1°	155.0°
C21	C16	C17	H172	106.9°	60.0°
C21	C16	C17	H171	135.2°	180.0°
C16	C21	C20	H201	62.5°	60.1°
C16	C21	C20	H202	178.4°	180.0°
C21	C16	N15	H151	76.9°	25.0°
C20	C21	C16	C17	59.0°	60.0°
C20	C21	C16	N15	61.2°	60.0°
C21	C20	C19	C18	11.1°	60.0°
C21	C20	C19	H201	120.5°	120.0°
C21	C20	C19	H202	120.5°	120.0°
C21	C20	H201	H202	118.6°	119.9°
C20	C21	C16	H161	178.3°	180.0°
C21	C20	C19	H192	109.8°	180.0°
C21	C20	C19	H191	132.0°	60.0°
C17	C16	N15	H161	118.2°	120.0°
C16	C17	C18	H172	121.0°	120.0°
C16	C17	C18	H171	121.0°	120.0°
C16	C17	C18	C19	31.1°	60.0°
C17	C16	N15	C14	135.1°	85.0°
C16	C17	H172	H171	116.8°	120.0°
C17	C16	C21	H211	57.9°	60.0°
C17	C16	N15	H151	44.8°	95.0°
C16	C17	C18	H181	89.9°	180.0°
C16	C17	C18	H182	152.1°	60.0°
N15	C16	C17	C18	107.8°	60.0°
C16	N15	C14	O25	1.4°	0.0°
C16	N15	C14	H151	180.0°	180.0°
C16	N15	C14	C13	179.0°	NaN°
N15	C16	C17	H172	131.2°	180.0°
N15	C16	C17	H171	13.2°	60.0°
N15	C16	C21	H211	178.1°	180.0°
C17	C18	C19	H181	121.0°	120.0°
C17	C18	C19	H182	121.0°	120.0°
C17	C18	C19	C20	32.6°	60.0°
C18	C17	H172	H171	116.8°	120.0°
C18	C17	C16	H161	133.4°	180.0°
C17	C18	H181	H182	116.9°	120.0°
C17	C18	C19	H192	153.5°	180.0°
C17	C18	C19	H191	88.3°	60.0°
C18	C19	C20	H192	120.9°	120.0°
C18	C19	C20	H191	120.9°	120.0°
C19	C18	C17	H172	152.1°	60.0°
C19	C18	C17	H171	89.9°	180.0°
C18	C19	C20	H201	109.4°	60.0°
C18	C19	C20	H202	131.5°	180.0°
C19	C18	H181	H182	117.0°	120.0°
C18	C19	H192	H191	117.2°	120.0°
C19	C20	H201	H202	118.6°	120.0°
C19	C20	C21	H211	59.0°	60.0°
C20	C19	C18	H181	88.3°	180.0°
C20	C19	C18	H182	153.6°	60.0°
C20	C19	H192	H191	117.2°	120.0°
O25	C14	N15	C13	177.6°	180.0°
O25	C14	C13	C26	15.4°	180.0°
O25	C14	C13	C12	170.4°	0.3°
O25	C14	N15	H151	178.5°	180.0°
N15	C14	C13	C26	162.2°	0.0°
N15	C14	C13	C12	12.0°	179.7°
C14	N15	C16	H161	17.0°	35.0°
C14	C13	C26	C12	175.1°	179.7°
C14	C13	C26	N27	176.8°	179.7°
C14	C13	C12	N11	5.1°	0.3°
C14	C13	C12	N28	177.0°	179.7°
C14	C13	C26	H261	3.1°	0.3°
C13	C14	N15	H151	1.0°	0.0°
C13	C26	N27	H261	180.0°	180.0°
C26	C13	C12	N11	179.7°	180.0°
C26	C13	C12	N28	1.8°	0.0°
C13	C26	N27	N28	1.1°	0.0°
C12	C13	C26	N27	1.7°	0.0°
C13	C12	N11	N28	177.7°	180.0°
C13	C12	N11	C04	177.8°	180.0°
C13	C12	N28	N27	1.1°	0.0°
C13	C12	N28	C02	179.7°	180.0°
C12	C13	C26	H261	178.3°	180.0°
C26	N27	N28	C12	0.1°	0.0°
C26	N27	N28	C02	179.1°	180.0°
N11	C12	N28	N27	179.3°	180.0°
N11	C12	N28	C02	1.5°	0.0°
C12	N11	C04	C05	178.2°	180.0°
C12	N11	C04	C03	1.8°	0.0°
N28	C12	N11	C04	0.1°	0.0°
C12	N28	N27	C02	179.1°	180.0°
C12	N28	C02	C03	0.9°	0.0°
C12	N28	C02	O01	178.9°	180.0°
N11	C04	C05	C06	10.2°	180.0°
N11	C04	C05	C03	176.1°	180.0°
N11	C04	C05	C10	171.0°	0.0°
N11	C04	C03	C02	2.4°	0.0°
N11	C04	C03	H031	177.6°	180.0°
C06	C07	C08	H071	180.0°	180.0°
C07	C06	C05	H061	180.0°	179.9°
C07	C06	C05	C04	178.8°	180.0°
C07	C06	C05	C10	0.0°	0.0°
C06	C07	C08	C09	0.9°	0.0°
C06	C07	C08	H081	179.1°	180.0°
C08	C07	C06	C05	1.1°	0.0°
C07	C08	C09	H081	180.0°	180.0°
C07	C08	C09	C10	0.5°	0.0°
C08	C07	C06	H061	178.9°	180.0°
C07	C08	C09	H091	179.5°	179.8°
C06	C05	C04	C10	178.8°	180.0°
C06	C05	C04	C03	165.8°	0.0°
C06	C05	C10	C09	1.4°	0.0°
C06	C05	C10	H101	178.6°	179.7°
C05	C06	C07	H071	178.9°	180.0°
N27	N28	C02	C03	179.9°	180.0°
N27	N28	C02	O01	0.1°	0.0°
N28	N27	C26	H261	178.9°	180.0°
N28	C02	C03	C04	1.1°	0.0°
N28	C02	C03	O01	179.8°	180.0°
N28	C02	O01	H011	180.0°	180.0°
N28	C02	C03	H031	178.9°	180.0°
C05	C04	C03	C02	178.5°	180.0°
C04	C05	C10	C09	177.4°	180.0°
C04	C05	C10	H101	2.6°	0.3°
C05	C04	C03	H031	1.5°	0.0°
C04	C05	C06	H061	1.2°	0.0°
C03	C04	C05	C10	12.9°	180.0°
C04	C03	C02	H031	180.0°	180.0°
C04	C03	C02	O01	179.1°	180.0°
C05	C10	C09	C08	1.7°	0.0°
C05	C10	C09	H101	180.0°	179.7°
C10	C05	C06	H061	180.0°	180.0°
C05	C10	C09	H091	178.3°	179.7°
C08	C09	C10	H091	180.0°	179.8°
C08	C09	C10	H101	178.3°	179.7°
C09	C08	C07	H071	179.1°	180.0°
C03	C02	O01	H011	0.2°	0.0°
O01	C02	C03	H031	0.9°	0.0°
C10	C09	C08	H081	179.5°	180.0°
H101	C10	C09	H091	1.6°	0.1°
H172	C17	C16	H161	12.4°	60.0°
H172	C17	C18	H181	31.1°	60.0°
H172	C17	C18	H182	86.9°	180.0°
H171	C17	C16	H161	105.5°	60.0°
H171	C17	C18	H181	149.1°	60.0°
H171	C17	C18	H182	31.0°	60.0°
H201	C20	C21	H211	179.4°	179.9°
H201	C20	C19	H192	129.7°	60.0°
H201	C20	C19	H191	11.5°	180.0°
H202	C20	C21	H211	61.5°	60.0°
H202	C20	C19	H192	10.6°	60.0°
H202	C20	C19	H191	107.6°	60.0°
H211	C21	C16	H161	61.4°	60.0°
H061	C06	C07	H071	1.1°	0.0°
H071	C07	C08	H081	0.9°	0.0°
H081	C08	C09	H091	0.5°	0.2°
H151	N15	C16	H161	163.0°	145.0°
H181	C18	C19	H192	32.6°	60.0°
H181	C18	C19	H191	150.8°	60.0°
H182	C18	C19	H192	85.5°	60.0°
H182	C18	C19	H191	32.7°	180.0°

Release date:	2018-12-19
Definition date:	2018-12-07
Last modified:	2018-12-14
Release status:	REL
Processing site:	RCSB
Derived from:	6NAO