6VY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N01	C02	sing	1.35Å	1.43Å
N01	C15	sing	1.40Å	1.44Å
C02	O03	doub	1.21Å	1.23Å
C02	C04	sing	1.51Å	1.49Å
C04	C05	sing	1.51Å	1.46Å
C04	S11	sing	1.81Å	1.75Å
C05	C06	doub	1.38Å	1.37Å	Aromatic
C05	C10	sing	1.38Å	1.40Å	Aromatic
C06	C07	sing	1.38Å	1.43Å	Aromatic
C07	C08	doub	1.38Å	1.37Å	Aromatic
C08	C09	sing	1.38Å	1.38Å	Aromatic
C09	C10	doub	1.38Å	1.43Å	Aromatic
S11	O12	doub	1.42Å	1.46Å
S11	O13	sing	1.52Å	1.42Å
S11	O14	doub	1.42Å	1.46Å
C15	C16	doub	1.39Å	1.42Å	Aromatic
C15	C20	sing	1.39Å	1.38Å	Aromatic
C16	C17	sing	1.38Å	1.40Å	Aromatic
C17	C18	doub	1.38Å	1.38Å	Aromatic
C18	C19	sing	1.38Å	1.42Å	Aromatic
C19	C20	doub	1.38Å	1.39Å	Aromatic
N01	H011	sing	0.97Å	1.00Å
C04	H041	sing	1.09Å	1.10Å
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
C10	H101	sing	1.08Å	1.08Å
O13	H2	sing	0.97Å	0.95Å
C16	H161	sing	1.08Å	1.08Å
C17	H171	sing	1.08Å	1.08Å
C18	H181	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
C20	H201	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C02	N01	C15	124.5°	120.0°
N01	C02	O03	122.9°	120.0°
N01	C02	C04	116.4°	120.0°
C02	N01	H011	117.7°	120.0°
N01	C15	C16	125.5°	120.1°
N01	C15	C20	114.0°	120.0°
C15	N01	H011	117.7°	120.0°
O03	C02	C04	120.7°	120.0°
C02	C04	C05	107.6°	109.5°
C02	C04	S11	116.7°	109.5°
C02	C04	H041	104.9°	109.5°
C05	C04	S11	118.1°	109.5°
C04	C05	C06	120.0°	120.0°
C04	C05	C10	121.6°	120.0°
C05	C04	H041	105.2°	109.5°
C04	S11	O12	107.3°	110.5°
C04	S11	O13	108.5°	104.4°
C04	S11	O14	107.4°	110.6°
S11	C04	H041	102.7°	109.5°
C06	C05	C10	118.4°	120.0°
C05	C06	C07	120.7°	120.1°
C05	C06	H061	119.6°	120.0°
C05	C10	C09	120.8°	120.0°
C05	C10	H101	119.6°	120.0°
C06	C07	C08	120.7°	120.0°
C07	C06	H061	119.6°	119.9°
C06	C07	H071	119.6°	120.0°
C07	C08	C09	119.5°	120.0°
C08	C07	H071	119.6°	120.0°
C07	C08	H081	120.2°	120.0°
C08	C09	C10	119.7°	120.0°
C09	C08	H081	120.3°	120.1°
C08	C09	H091	120.1°	120.0°
C10	C09	H091	120.1°	120.0°
C09	C10	H101	119.6°	120.0°
O12	S11	O13	112.0°	104.3°
O12	S11	O14	113.2°	121.0°
O13	S11	O14	108.3°	104.3°
S11	O13	H2	109.5°	114.0°
C16	C15	C20	119.9°	119.9°
C15	C16	C17	118.8°	120.0°
C15	C16	H161	120.6°	120.0°
C15	C20	C19	121.4°	119.9°
C15	C20	H201	119.3°	120.0°
C16	C17	C18	120.6°	120.1°
C17	C16	H161	120.6°	120.0°
C16	C17	H171	119.7°	120.0°
C17	C18	C19	120.3°	120.2°
C18	C17	H171	119.7°	119.9°
C17	C18	H181	119.8°	120.0°
C18	C19	C20	118.8°	120.0°
C19	C18	H181	119.8°	119.9°
C18	C19	H191	120.6°	120.0°
C20	C19	H191	120.6°	120.0°
C19	C20	H201	119.3°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C02	N01	C15	H011	180.0°	179.6°
N01	C02	O03	C04	179.6°	180.0°
N01	C02	C04	C05	90.6°	145.0°
N01	C02	C04	S11	133.9°	95.0°
C02	N01	C15	C16	18.4°	146.8°
C02	N01	C15	C20	153.2°	33.5°
N01	C02	C04	H041	21.0°	25.0°
C15	N01	C02	O03	8.4°	5.2°
C15	N01	C02	C04	172.0°	174.8°
N01	C15	C16	C20	171.2°	179.7°
N01	C15	C16	C17	175.6°	180.0°
N01	C15	C20	C19	176.2°	179.7°
N01	C15	C16	H161	4.4°	0.0°
N01	C15	C20	H201	3.8°	0.1°
O03	C02	C04	C05	89.8°	35.0°
O03	C02	C04	S11	45.7°	85.0°
O03	C02	N01	H011	171.6°	174.4°
O03	C02	C04	H041	158.5°	155.0°
C02	C04	C05	S11	134.8°	120.0°
C02	C04	C05	H041	111.5°	120.0°
C02	C04	S11	H041	114.1°	120.0°
C02	C04	C05	C06	43.6°	120.0°
C02	C04	C05	C10	137.0°	60.3°
C02	C04	S11	O12	48.6°	51.6°
C02	C04	S11	O13	169.8°	60.0°
C02	C04	S11	O14	73.4°	171.6°
C04	C02	N01	H011	8.0°	5.6°
C05	C04	S11	H041	115.1°	120.0°
C04	C05	C06	C10	179.5°	179.7°
C04	C05	C06	C07	180.0°	180.0°
C04	C05	C10	C09	179.3°	179.8°
C05	C04	S11	O12	179.3°	171.6°
C05	C04	S11	O13	59.5°	60.0°
C05	C04	S11	O14	57.4°	51.6°
C04	C05	C06	H061	0.0°	0.0°
C04	C05	C10	H101	0.7°	0.0°
S11	C04	C05	C06	91.2°	120.0°
S11	C04	C05	C10	88.3°	59.8°
C04	S11	O12	O13	119.0°	111.7°
C04	S11	O12	O14	118.3°	131.5°
C04	S11	O13	O14	116.3°	116.1°
C04	S11	O13	H2	116.3°	180.0°
C05	C06	C07	H061	180.0°	180.0°
C05	C06	C07	C08	0.5°	0.0°
C06	C05	C10	C09	0.2°	0.4°
C06	C05	C04	H041	155.0°	0.0°
C05	C06	C07	H071	179.5°	179.9°
C06	C05	C10	H101	179.8°	179.7°
C10	C05	C06	C07	0.5°	0.2°
C05	C10	C09	C08	0.8°	0.4°
C05	C10	C09	H101	180.0°	179.8°
C10	C05	C04	H041	25.5°	179.7°
C10	C05	C06	H061	179.5°	179.8°
C05	C10	C09	H091	179.2°	179.7°
C06	C07	C08	H071	180.0°	179.9°
C06	C07	C08	C09	0.2°	0.1°
C06	C07	C08	H081	179.8°	179.9°
C07	C08	C09	H081	180.0°	180.0°
C07	C08	C09	C10	0.8°	0.1°
C08	C07	C06	H061	179.5°	180.0°
C07	C08	C09	H091	179.2°	180.0°
C08	C09	C10	H091	180.0°	179.9°
C09	C08	C07	H071	179.8°	180.0°
C08	C09	C10	H101	179.2°	179.8°
C10	C09	C08	H081	179.2°	179.9°
O12	S11	O13	O14	125.5°	127.8°
O12	S11	C04	H041	65.5°	68.4°
O12	S11	O13	H2	125.5°	64.0°
O13	S11	C04	H041	55.6°	180.0°
O14	S11	C04	H041	172.5°	68.4°
O14	S11	O13	H2	0.0°	63.9°
C15	C16	C17	H161	180.0°	180.0°
C15	C16	C17	C18	2.6°	0.0°
C16	C15	C20	C19	4.0°	0.7°
C16	C15	N01	H011	161.6°	32.8°
C15	C16	C17	H171	177.4°	180.0°
C16	C15	C20	H201	176.0°	179.7°
C20	C15	C16	C17	4.5°	0.3°
C15	C20	C19	C18	1.6°	0.7°
C15	C20	C19	H201	180.0°	179.6°
C20	C15	N01	H011	26.8°	146.8°
C20	C15	C16	H161	175.5°	179.7°
C15	C20	C19	H191	178.3°	179.6°
C16	C17	C18	H171	180.0°	180.0°
C16	C17	C18	C19	0.3°	0.0°
C16	C17	C18	H181	179.7°	180.0°
C17	C18	C19	H181	180.0°	180.0°
C17	C18	C19	C20	0.3°	0.4°
C18	C17	C16	H161	177.4°	180.0°
C17	C18	C19	H191	179.7°	180.0°
C18	C19	C20	H191	180.0°	179.7°
C19	C18	C17	H171	179.7°	180.0°
C18	C19	C20	H201	178.4°	179.7°
C20	C19	C18	H181	179.7°	179.7°
H061	C06	C07	H071	0.5°	0.1°
H071	C07	C08	H081	0.2°	0.0°
H081	C08	C09	H091	0.8°	0.0°
H091	C09	C10	H101	0.8°	0.1°
H161	C16	C17	H171	2.6°	0.0°
H171	C17	C18	H181	0.3°	0.0°
H181	C18	C19	H191	0.2°	0.0°
H191	C19	C20	H201	1.6°	0.0°

Release date:	2016-10-12
Definition date:	2016-07-07
Last modified:	2016-10-07
Release status:	REL
Processing site:	RCSB
Derived from:	5KQL