6ER

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	N18	sing	0.00Å	1.42Å
C20	N18	sing	0.00Å	1.42Å
O14	P12	doub	0.00Å	1.50Å
N18	C17	sing	0.00Å	1.42Å
N18	C19	sing	0.00Å	1.41Å
C17	C16	sing	0.00Å	1.50Å
O13	P12	sing	0.00Å	1.50Å
P12	O11	sing	0.00Å	1.63Å
P12	O15	sing	0.00Å	1.62Å
O06	C05	doub	0.00Å	1.18Å
C16	O15	sing	0.00Å	1.37Å
O11	C10	sing	0.00Å	1.38Å
C05	O07	sing	0.00Å	1.39Å
C05	C04	sing	0.00Å	1.51Å
C10	C09	sing	0.00Å	1.50Å
O07	C08	sing	0.00Å	1.39Å
C04	C03	sing	0.00Å	1.52Å
C09	C08	sing	0.00Å	1.51Å
C09	O22	sing	0.00Å	1.39Å
C03	C02	sing	0.00Å	1.52Å
C02	C01	sing	0.00Å	1.53Å
O22	C23	sing	0.00Å	1.39Å
C23	O24	doub	0.00Å	1.17Å
C23	C25	sing	0.00Å	1.51Å
C25	C26	sing	0.00Å	1.51Å
C26	C27	sing	0.00Å	1.52Å
C27	C28	sing	0.00Å	1.52Å
C28	C29	sing	0.00Å	1.52Å
C01	H011	sing	0.00Å	1.10Å
C01	H013	sing	0.00Å	1.10Å
C02	H022	sing	0.00Å	1.10Å
C02	H021	sing	0.00Å	1.10Å
C03	H031	sing	0.00Å	1.10Å
C03	H032	sing	0.00Å	1.10Å
C04	H041	sing	0.00Å	1.10Å
C04	H042	sing	0.00Å	1.10Å
C08	H081	sing	0.00Å	1.10Å
C08	H082	sing	0.00Å	1.10Å
C09	H091	sing	0.00Å	1.10Å
C10	H102	sing	0.00Å	1.10Å
C10	H101	sing	0.00Å	1.10Å
O13	H1	sing	0.00Å	0.97Å
C16	H162	sing	0.00Å	1.10Å
C16	H161	sing	0.00Å	1.10Å
C17	H171	sing	0.00Å	1.10Å
C17	H172	sing	0.00Å	1.10Å
C19	H193	sing	0.00Å	1.10Å
C19	H191	sing	0.00Å	1.10Å
C19	H192	sing	0.00Å	1.10Å
C20	H202	sing	0.00Å	1.10Å
C20	H203	sing	0.00Å	1.10Å
C20	H201	sing	0.00Å	1.10Å
C21	H213	sing	0.00Å	1.10Å
C21	H212	sing	0.00Å	1.10Å
C21	H211	sing	0.00Å	1.10Å
C25	H252	sing	0.00Å	1.10Å
C25	H251	sing	0.00Å	1.10Å
C26	H262	sing	0.00Å	1.10Å
C26	H261	sing	0.00Å	1.10Å
C27	H272	sing	0.00Å	1.10Å
C27	H271	sing	0.00Å	1.10Å
C28	H281	sing	0.00Å	1.10Å
C28	H282	sing	0.00Å	1.10Å
C29	H291	sing	0.00Å	1.10Å
C29	H293	sing	0.00Å	1.10Å
C29	H292	sing	0.00Å	1.10Å
C01	C1	sing	0.00Å	241.34Å
C1	H2	sing	0.00Å	0.00Å
C1	H3	sing	0.00Å	0.00Å
C1	H4	sing	0.00Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	N18	C20	110.2°	90.0°
C21	N18	C17	109.9°	90.0°
C21	N18	C19	106.0°	90.0°
N18	C21	H213	109.5°	90.0°
N18	C21	H212	109.4°	90.0°
N18	C21	H211	109.5°	90.0°
C20	N18	C17	110.8°	90.0°
C20	N18	C19	109.7°	90.0°
N18	C20	H202	109.5°	90.0°
N18	C20	H203	109.5°	90.0°
N18	C20	H201	109.5°	90.0°
O14	P12	O13	110.4°	90.0°
O14	P12	O11	109.7°	90.0°
O14	P12	O15	109.9°	90.0°
C17	N18	C19	110.1°	90.0°
N18	C17	C16	111.9°	90.0°
N18	C17	H171	108.9°	90.0°
N18	C17	H172	108.9°	90.0°
N18	C19	H193	109.5°	90.0°
N18	C19	H191	109.4°	90.0°
N18	C19	H192	109.5°	90.0°
C17	C16	O15	105.1°	90.0°
C17	C16	H162	110.5°	90.0°
C17	C16	H161	110.6°	90.0°
C16	C17	H171	108.9°	90.0°
C16	C17	H172	108.9°	90.0°
O13	P12	O11	110.3°	90.0°
O13	P12	O15	109.0°	90.0°
P12	O13	H1	109.5°	90.0°
O11	P12	O15	107.5°	90.0°
P12	O11	C10	113.8°	90.0°
P12	O15	C16	110.8°	90.0°
O06	C05	O07	120.4°	90.0°
O06	C05	C04	119.9°	90.0°
O15	C16	H162	110.6°	90.0°
O15	C16	H161	110.6°	90.0°
O11	C10	C09	108.4°	90.0°
O11	C10	H102	109.7°	90.0°
O11	C10	H101	109.8°	90.0°
O07	C05	C04	119.7°	90.0°
C05	O07	C08	111.0°	90.0°
C05	C04	C03	112.3°	90.0°
C05	C04	H041	108.7°	90.0°
C05	C04	H042	108.7°	90.0°
C10	C09	C08	108.9°	90.0°
C10	C09	O22	109.5°	90.0°
C10	C09	H091	110.0°	90.0°
C09	C10	H102	109.7°	90.0°
C09	C10	H101	109.8°	90.0°
O07	C08	C09	108.5°	90.0°
O07	C08	H081	109.7°	90.0°
O07	C08	H082	109.7°	90.0°
C04	C03	C02	111.6°	90.0°
C04	C03	H031	109.0°	90.0°
C04	C03	H032	108.9°	90.0°
C03	C04	H041	108.7°	90.0°
C03	C04	H042	108.8°	90.0°
C08	C09	O22	106.9°	90.0°
C09	C08	H081	109.7°	90.0°
C09	C08	H082	109.7°	90.0°
C08	C09	H091	109.8°	90.0°
C09	O22	C23	111.8°	90.0°
O22	C09	H091	111.7°	90.0°
C03	C02	C01	113.5°	90.0°
C03	C02	H022	108.5°	90.0°
C03	C02	H021	108.4°	90.0°
C02	C03	H031	109.0°	90.0°
C02	C03	H032	109.0°	90.0°
C02	C01	H011	116.4°	90.0°
C02	C01	H013	116.4°	90.0°
C01	C02	H022	108.4°	90.0°
C01	C02	H021	108.5°	90.0°
C02	C01	C1	79.2°	90.0°
O22	C23	O24	121.0°	90.0°
O22	C23	C25	121.4°	90.0°
O24	C23	C25	117.6°	90.0°
C23	C25	C26	112.1°	90.0°
C23	C25	H252	108.8°	90.0°
C23	C25	H251	108.8°	90.0°
C25	C26	C27	111.8°	90.0°
C26	C25	H252	108.8°	90.0°
C26	C25	H251	108.8°	90.0°
C25	C26	H262	108.9°	90.0°
C25	C26	H261	108.9°	90.0°
C26	C27	C28	112.0°	90.0°
C27	C26	H262	108.9°	90.0°
C27	C26	H261	108.9°	90.0°
C26	C27	H272	108.9°	90.0°
C26	C27	H271	108.8°	90.0°
C27	C28	C29	113.0°	90.0°
C28	C27	H272	108.9°	90.0°
C28	C27	H271	108.8°	90.0°
C27	C28	H281	108.6°	90.0°
C27	C28	H282	108.6°	90.0°
C29	C28	H281	108.6°	90.0°
C29	C28	H282	108.6°	90.0°
C28	C29	H291	109.5°	90.0°
C28	C29	H293	109.5°	90.0°
C28	C29	H292	109.5°	90.0°
H011	C01	H013	109.5°	90.0°
H011	C01	C1	116.4°	90.0°
H013	C01	C1	116.4°	90.0°
H022	C02	H021	109.5°	90.0°
H031	C03	H032	109.5°	90.0°
H041	C04	H042	109.5°	90.0°
H081	C08	H082	109.5°	90.0°
H102	C10	H101	109.5°	90.0°
H162	C16	H161	109.4°	90.0°
H171	C17	H172	109.4°	90.0°
H193	C19	H191	109.5°	90.0°
H193	C19	H192	109.5°	90.0°
H191	C19	H192	109.5°	90.0°
H202	C20	H203	109.5°	90.0°
H202	C20	H201	109.5°	90.0°
H203	C20	H201	109.5°	90.0°
H213	C21	H212	109.5°	90.0°
H213	C21	H211	109.5°	90.0°
H212	C21	H211	109.5°	90.0°
H252	C25	H251	109.5°	90.0°
H262	C26	H261	109.5°	90.0°
H272	C27	H271	109.5°	90.0°
H281	C28	H282	109.5°	90.0°
H291	C29	H293	109.4°	90.0°
H291	C29	H292	109.5°	90.0°
H293	C29	H292	109.5°	90.0°
C01	C1	H2	90.0°	90.0°
C01	C1	H3	90.0°	90.0°
C01	C1	H4	90.0°	90.0°
H2	C1	H3	90.0°	90.0°
H2	C1	H4	90.0°	90.0°
H3	C1	H4	90.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	N18	C20	C17	121.8°	90.0°
C21	N18	C20	C19	116.4°	90.0°
C21	N18	C17	C19	116.4°	90.0°
C21	N18	C17	C16	179.2°	90.0°
C21	N18	C17	H171	60.4°	90.0°
C21	N18	C17	H172	58.8°	90.0°
C21	N18	C19	H193	180.0°	90.0°
C21	N18	C19	H191	60.0°	90.0°
C21	N18	C19	H192	60.0°	90.0°
C21	N18	C20	H202	180.0°	90.0°
C21	N18	C20	H203	60.0°	90.0°
C21	N18	C20	H201	60.0°	90.0°
N18	C21	H213	H212	120.0°	90.0°
N18	C21	H213	H211	120.0°	90.0°
N18	C21	H212	H211	120.0°	90.0°
C20	N18	C17	C19	121.6°	90.0°
C20	N18	C17	C16	58.8°	90.0°
C20	N18	C17	H171	61.6°	90.0°
C20	N18	C17	H172	179.2°	90.0°
C20	N18	C19	H193	61.0°	90.0°
C20	N18	C19	H191	179.0°	90.0°
C20	N18	C19	H192	59.0°	90.0°
N18	C20	H202	H203	120.0°	90.0°
N18	C20	H202	H201	120.0°	90.0°
N18	C20	H203	H201	120.0°	90.0°
C20	N18	C21	H213	180.0°	90.0°
C20	N18	C21	H212	60.0°	90.0°
C20	N18	C21	H211	60.0°	90.0°
O14	P12	O13	O11	121.4°	90.0°
O14	P12	O13	O15	120.8°	90.0°
O14	P12	O11	O15	119.5°	90.0°
O14	P12	O15	C16	21.4°	90.0°
O14	P12	O11	C10	119.5°	90.0°
O14	P12	O13	H1	59.2°	90.0°
N18	C17	C16	H171	120.4°	90.0°
N18	C17	C16	H172	120.4°	90.0°
N18	C17	C16	O15	169.5°	90.0°
N18	C17	C16	H162	50.2°	90.0°
N18	C17	C16	H161	71.2°	90.0°
N18	C17	H171	H172	118.9°	90.0°
C17	N18	C19	H193	61.2°	90.0°
C17	N18	C19	H191	58.8°	90.0°
C17	N18	C19	H192	178.8°	90.0°
C17	N18	C20	H202	58.2°	90.0°
C17	N18	C20	H203	178.2°	90.0°
C17	N18	C20	H201	61.8°	90.0°
C17	N18	C21	H213	57.6°	90.0°
C17	N18	C21	H212	62.4°	90.0°
C17	N18	C21	H211	177.6°	90.0°
C19	N18	C17	C16	62.8°	90.0°
C19	N18	C17	H171	176.8°	90.0°
C19	N18	C17	H172	57.6°	90.0°
N18	C19	H193	H191	120.0°	90.0°
N18	C19	H193	H192	120.0°	90.0°
N18	C19	H191	H192	120.0°	90.0°
C19	N18	C20	H202	63.7°	90.0°
C19	N18	C20	H203	56.4°	90.0°
C19	N18	C20	H201	176.3°	90.0°
C19	N18	C21	H213	61.4°	90.0°
C19	N18	C21	H212	178.6°	90.0°
C19	N18	C21	H211	58.6°	90.0°
C17	C16	O15	P12	95.1°	90.0°
C17	C16	O15	H162	119.3°	90.0°
C17	C16	O15	H161	119.3°	90.0°
C17	C16	H162	H161	122.0°	90.0°
C16	C17	H171	H172	118.9°	90.0°
O13	P12	O11	O15	118.7°	90.0°
O13	P12	O15	C16	142.5°	90.0°
O13	P12	O11	C10	2.3°	90.0°
O11	P12	O15	C16	98.0°	90.0°
P12	O11	C10	C09	81.6°	90.0°
P12	O11	C10	H102	158.6°	90.0°
P12	O11	C10	H101	38.3°	90.0°
O11	P12	O13	H1	62.2°	90.0°
O15	P12	O11	C10	121.0°	90.0°
O15	P12	O13	H1	180.0°	90.0°
P12	O15	C16	H162	145.5°	90.0°
P12	O15	C16	H161	24.2°	90.0°
O06	C05	O07	C04	179.2°	90.0°
O06	C05	O07	C08	109.9°	90.0°
O06	C05	C04	C03	147.8°	90.0°
O06	C05	C04	H041	91.8°	90.0°
O06	C05	C04	H042	27.4°	90.0°
O15	C16	H162	H161	122.0°	90.0°
O15	C16	C17	H171	70.1°	90.0°
O15	C16	C17	H172	49.1°	90.0°
O11	C10	C09	H102	119.8°	90.0°
O11	C10	C09	H101	119.8°	90.0°
O11	C10	C09	C08	164.0°	90.0°
O11	C10	C09	O22	79.5°	90.0°
O11	C10	C09	H091	43.5°	90.0°
O11	C10	H102	H101	120.5°	90.0°
O07	C05	C04	C03	33.0°	90.0°
C05	O07	C08	C09	140.0°	90.0°
O07	C05	C04	H041	87.4°	90.0°
O07	C05	C04	H042	153.4°	90.0°
C05	O07	C08	H081	20.2°	90.0°
C05	O07	C08	H082	100.1°	90.0°
C04	C05	O07	C08	69.4°	90.0°
C05	C04	C03	H041	120.4°	90.0°
C05	C04	C03	H042	120.4°	90.0°
C05	C04	C03	C02	174.6°	90.0°
C05	C04	C03	H031	54.2°	90.0°
C05	C04	C03	H032	65.1°	90.0°
C05	C04	H041	H042	118.7°	90.0°
C10	C09	C08	O07	54.0°	90.0°
C10	C09	C08	O22	118.2°	90.0°
C10	C09	C08	H091	120.5°	90.0°
C10	C09	O22	H091	122.0°	90.0°
C10	C09	O22	C23	176.1°	90.0°
C10	C09	C08	H081	65.8°	90.0°
C10	C09	C08	H082	173.8°	90.0°
C09	C10	H102	H101	120.5°	90.0°
O07	C08	C09	H081	119.8°	90.0°
O07	C08	C09	H082	119.8°	90.0°
O07	C08	C09	O22	172.2°	90.0°
O07	C08	H081	H082	120.4°	90.0°
O07	C08	C09	H091	66.4°	90.0°
C04	C03	C02	H031	120.3°	90.0°
C04	C03	C02	H032	120.3°	90.0°
C04	C03	C02	C01	167.1°	90.0°
C04	C03	C02	H022	72.3°	90.0°
C04	C03	C02	H021	46.5°	90.0°
C04	C03	H031	H032	119.0°	90.0°
C03	C04	H041	H042	118.7°	90.0°
C08	C09	O22	H091	120.2°	90.0°
C08	C09	O22	C23	66.1°	90.0°
C09	C08	H081	H082	120.5°	90.0°
C08	C09	C10	H102	76.2°	90.0°
C08	C09	C10	H101	44.1°	90.0°
C09	O22	C23	O24	74.0°	90.0°
C09	O22	C23	C25	103.7°	90.0°
O22	C09	C08	H081	52.4°	90.0°
O22	C09	C08	H082	68.0°	90.0°
O22	C09	C10	H102	40.3°	90.0°
O22	C09	C10	H101	160.6°	90.0°
C03	C02	C01	H022	120.6°	90.0°
C03	C02	C01	H021	120.6°	90.0°
C03	C02	C01	H011	110.8°	90.0°
C03	C02	C01	H013	117.8°	90.0°
C03	C02	H022	H021	118.2°	90.0°
C02	C03	H031	H032	119.1°	90.0°
C02	C03	C04	H041	65.0°	90.0°
C02	C03	C04	H042	54.2°	90.0°
C03	C02	C01	C1	3.5°	90.0°
C02	C01	H011	H013	134.6°	90.0°
C02	C01	H011	C1	90.8°	90.0°
C02	C01	H013	C1	90.7°	90.0°
C01	C02	H022	H021	118.2°	90.0°
C01	C02	C03	H031	46.8°	90.0°
C01	C02	C03	H032	72.6°	90.0°
C02	C01	C1	H2	90.0°	90.0°
C02	C01	C1	H3	90.0°	90.0°
C02	C01	C1	H4	90.0°	90.0°
O22	C23	O24	C25	177.7°	90.0°
O22	C23	C25	C26	152.5°	90.0°
C23	O22	C09	H091	54.1°	90.0°
O22	C23	C25	H252	87.1°	90.0°
O22	C23	C25	H251	32.2°	90.0°
O24	C23	C25	C26	25.2°	90.0°
O24	C23	C25	H252	95.2°	90.0°
O24	C23	C25	H251	145.5°	90.0°
C23	C25	C26	H252	120.4°	90.0°
C23	C25	C26	H251	120.4°	90.0°
C23	C25	C26	C27	179.0°	90.0°
C23	C25	H252	H251	118.8°	90.0°
C23	C25	C26	H262	58.7°	90.0°
C23	C25	C26	H261	60.7°	90.0°
C25	C26	C27	H262	120.3°	90.0°
C25	C26	C27	H261	120.4°	90.0°
C25	C26	C27	C28	154.8°	90.0°
C26	C25	H252	H251	118.8°	90.0°
C25	C26	H262	H261	119.0°	90.0°
C25	C26	C27	H272	84.8°	90.0°
C25	C26	C27	H271	34.4°	90.0°
C26	C27	C28	H272	120.4°	90.0°
C26	C27	C28	H271	120.4°	90.0°
C26	C27	C28	C29	166.2°	90.0°
C27	C26	C25	H252	60.6°	90.0°
C27	C26	C25	H251	58.6°	90.0°
C27	C26	H262	H261	119.0°	90.0°
C26	C27	H272	H271	118.9°	90.0°
C26	C27	C28	H281	45.7°	90.0°
C26	C27	C28	H282	73.3°	90.0°
C27	C28	C29	H281	120.5°	90.0°
C27	C28	C29	H282	120.5°	90.0°
C28	C27	C26	H262	34.4°	90.0°
C28	C27	C26	H261	84.9°	90.0°
C28	C27	H272	H271	118.9°	90.0°
C27	C28	H281	H282	118.4°	90.0°
C27	C28	C29	H291	180.0°	90.0°
C27	C28	C29	H293	60.0°	90.0°
C27	C28	C29	H292	60.0°	90.0°
C29	C28	C27	H272	73.4°	90.0°
C29	C28	C27	H271	45.9°	90.0°
C29	C28	H281	H282	118.4°	90.0°
C28	C29	H291	H293	120.0°	90.0°
C28	C29	H291	H292	120.0°	90.0°
C28	C29	H293	H292	120.0°	90.0°
H011	C01	H013	C1	134.7°	90.0°
H011	C01	C02	H022	9.8°	90.0°
H011	C01	C02	H021	128.7°	90.0°
H011	C01	C1	H2	90.0°	90.0°
H011	C01	C1	H3	90.0°	90.0°
H011	C01	C1	H4	90.0°	90.0°
H013	C01	C02	H022	121.6°	90.0°
H013	C01	C02	H021	2.8°	90.0°
H013	C01	C1	H2	90.0°	90.0°
H013	C01	C1	H3	90.0°	90.0°
H013	C01	C1	H4	90.0°	90.0°
H022	C02	C03	H031	167.3°	90.0°
H022	C02	C03	H032	48.0°	90.0°
H022	C02	C01	C1	124.1°	90.0°
H021	C02	C03	H031	73.8°	90.0°
H021	C02	C03	H032	166.8°	90.0°
H021	C02	C01	C1	117.1°	90.0°
H031	C03	C04	H041	174.7°	90.0°
H031	C03	C04	H042	66.2°	90.0°
H032	C03	C04	H041	55.3°	90.0°
H032	C03	C04	H042	174.5°	90.0°
H081	C08	C09	H091	173.7°	90.0°
H082	C08	C09	H091	53.4°	90.0°
H091	C09	C10	H102	163.4°	90.0°
H091	C09	C10	H101	76.3°	90.0°
H162	C16	C17	H171	170.6°	90.0°
H162	C16	C17	H172	70.2°	90.0°
H161	C16	C17	H171	49.2°	90.0°
H161	C16	C17	H172	168.5°	90.0°
H193	C19	H191	H192	120.0°	90.0°
H202	C20	H203	H201	120.0°	90.0°
H213	C21	H212	H211	120.0°	90.0°
H252	C25	C26	H262	179.0°	90.0°
H252	C25	C26	H261	59.7°	90.0°
H251	C25	C26	H262	61.7°	90.0°
H251	C25	C26	H261	179.0°	90.0°
H262	C26	C27	H272	154.8°	90.0°
H262	C26	C27	H271	85.9°	90.0°
H261	C26	C27	H272	35.5°	90.0°
H261	C26	C27	H271	154.8°	90.0°
H272	C27	C28	H281	166.1°	90.0°
H272	C27	C28	H282	47.1°	90.0°
H271	C27	C28	H281	74.6°	90.0°
H271	C27	C28	H282	166.4°	90.0°
H281	C28	C29	H291	59.5°	90.0°
H281	C28	C29	H293	179.5°	90.0°
H281	C28	C29	H292	60.5°	90.0°
H282	C28	C29	H291	59.5°	90.0°
H282	C28	C29	H293	60.5°	90.0°
H282	C28	C29	H292	179.5°	90.0°
H291	C29	H293	H292	120.0°	90.0°
C01	C1	H2	H3	90.0°	90.0°
C01	C1	H2	H4	90.0°	90.0°
C01	C1	H3	H4	90.0°	90.0°
H2	C1	H3	H4	90.0°	90.0°

Release date:	2022-03-30
Definition date:	2016-03-23
Last modified:	2022-03-25
Release status:	REL
Processing site:	RCSB
Derived from:	5IRX