5YQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C01	doub	1.40Å	1.38Å	Aromatic
C01	C06	sing	1.39Å	1.39Å	Aromatic
C01	H01	sing	1.08Å	1.08Å
C07	C02	sing	1.48Å	1.51Å
C03	C02	sing	1.40Å	1.38Å	Aromatic
C03	C04	doub	1.38Å	1.38Å	Aromatic
C03	H03	sing	1.08Å	1.08Å
C04	N05	sing	1.32Å	1.34Å	Aromatic
C04	H04	sing	1.08Å	1.08Å
N05	C06	doub	1.33Å	1.34Å	Aromatic
C06	C10	sing	1.48Å	1.42Å
O09	C07	doub	1.21Å	1.25Å
C07	O08	sing	1.35Å	1.25Å
O08	HO08	sing	0.97Å	0.95Å
C10	N11	doub	1.33Å	1.34Å	Aromatic
C10	C15	sing	1.40Å	1.38Å	Aromatic
N11	C12	sing	1.32Å	1.35Å	Aromatic
C12	N16	sing	1.38Å	1.34Å
C12	N13	doub	1.33Å	1.34Å	Aromatic
C14	N13	sing	1.32Å	1.34Å	Aromatic
C15	C14	doub	1.38Å	1.37Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
N16	C17	sing	1.46Å	1.46Å
N16	HN16	sing	0.97Å	1.00Å
C18	C17	sing	1.51Å	1.50Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C19	C18	doub	1.38Å	1.38Å	Aromatic
C18	C23	sing	1.39Å	1.38Å	Aromatic
N20	C19	sing	1.32Å	1.34Å	Aromatic
C19	H19	sing	1.08Å	1.08Å
N20	C21	doub	1.32Å	1.34Å	Aromatic
C21	C22	sing	1.38Å	1.38Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
C22	C23	doub	1.39Å	1.38Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C02	C01	C06	119.3°	118.9°
C02	C01	H01	120.3°	120.5°
C01	C02	C07	120.3°	120.9°
C01	C02	C03	118.7°	118.2°
C06	C01	H01	120.4°	120.6°
C01	C06	N05	122.2°	120.7°
C01	C06	C10	121.1°	119.6°
C07	C02	C03	121.0°	120.9°
C02	C07	O09	117.6°	120.0°
C02	C07	O08	117.7°	120.0°
C02	C03	C04	118.2°	119.1°
C02	C03	H03	120.9°	120.4°
C04	C03	H03	120.9°	120.4°
C03	C04	N05	123.7°	121.1°
C03	C04	H04	118.2°	119.4°
N05	C04	H04	118.1°	119.5°
C04	N05	C06	117.8°	122.0°
N05	C06	C10	116.6°	119.7°
C06	C10	N11	117.7°	120.5°
C06	C10	C15	121.7°	120.5°
O09	C07	O08	124.7°	120.0°
C07	O08	HO08	109.5°	117.0°
N11	C10	C15	120.6°	119.0°
C10	N11	C12	117.4°	120.7°
C10	C15	C14	118.3°	118.4°
C10	C15	H15	120.9°	120.8°
N11	C12	N16	117.3°	119.2°
N11	C12	N13	125.4°	121.7°
N16	C12	N13	117.3°	119.1°
C12	N16	C17	123.7°	120.0°
C12	N16	HN16	105.8°	119.9°
C12	N13	C14	115.8°	120.9°
N13	C14	C15	122.6°	119.3°
N13	C14	H14	118.7°	120.3°
C15	C14	H14	118.7°	120.4°
C14	C15	H15	120.8°	120.8°
C17	N16	HN16	105.8°	120.0°
N16	C17	C18	113.3°	109.5°
N16	C17	H17	108.5°	109.5°
N16	C17	H17A	108.5°	109.5°
C18	C17	H17	108.5°	109.5°
C18	C17	H17A	108.5°	109.5°
C17	C18	C19	121.1°	120.4°
C17	C18	C23	121.9°	120.4°
H17	C17	H17A	109.4°	109.4°
C19	C18	C23	117.0°	119.1°
C18	C19	N20	124.2°	120.7°
C18	C19	H19	117.9°	119.6°
C18	C23	C22	120.1°	118.4°
C18	C23	H23	119.9°	120.7°
N20	C19	H19	117.9°	119.7°
C19	N20	C21	117.2°	121.7°
N20	C21	C22	123.0°	120.8°
N20	C21	H21	118.5°	119.6°
C22	C21	H21	118.5°	119.6°
C21	C22	C23	118.5°	119.1°
C21	C22	H22	120.7°	120.4°
C23	C22	H22	120.8°	120.5°
C22	C23	H23	119.9°	120.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C02	C01	C06	H01	180.0°	179.7°
C01	C02	C07	C03	180.0°	180.0°
C01	C02	C03	C04	0.0°	0.0°
C01	C02	C03	H03	179.9°	180.0°
C02	C01	C06	N05	0.0°	0.0°
C02	C01	C06	C10	180.0°	179.7°
C01	C02	C07	O09	147.1°	0.0°
C01	C02	C07	O08	32.8°	180.0°
C06	C01	C02	C07	180.0°	180.0°
C06	C01	C02	C03	0.0°	0.0°
C01	C06	N05	C04	0.1°	0.0°
C01	C06	N05	C10	180.0°	179.7°
C01	C06	C10	N11	150.4°	0.0°
C01	C06	C10	C15	29.5°	179.8°
H01	C01	C02	C07	0.0°	0.3°
H01	C01	C02	C03	179.9°	179.7°
H01	C01	C06	N05	180.0°	179.7°
H01	C01	C06	C10	0.0°	0.0°
C07	C02	C03	C04	180.0°	180.0°
C07	C02	C03	H03	0.0°	0.0°
C02	C07	O09	O08	180.0°	180.0°
C02	C07	O08	HO08	180.0°	179.9°
C02	C03	C04	H03	180.0°	180.0°
C02	C03	C04	N05	0.0°	0.0°
C02	C03	C04	H04	180.0°	180.0°
C03	C02	C07	O09	32.9°	180.0°
C03	C02	C07	O08	147.1°	0.0°
C03	C04	N05	H04	180.0°	180.0°
C03	C04	N05	C06	0.1°	0.0°
H03	C03	C04	N05	180.0°	180.0°
H03	C03	C04	H04	0.0°	0.0°
C04	N05	C06	C10	179.9°	179.7°
H04	C04	N05	C06	179.9°	180.0°
N05	C06	C10	N11	29.6°	179.7°
N05	C06	C10	C15	150.5°	0.5°
C06	C10	N11	C15	179.9°	179.8°
C06	C10	N11	C12	180.0°	180.0°
C06	C10	C15	C14	180.0°	179.8°
C06	C10	C15	H15	0.0°	0.1°
O09	C07	O08	HO08	0.0°	0.1°
C10	N11	C12	N16	180.0°	180.0°
C10	N11	C12	N13	0.0°	0.0°
N11	C10	C15	C14	0.0°	0.5°
N11	C10	C15	H15	179.9°	179.7°
C15	C10	N11	C12	0.1°	0.2°
C10	C15	C14	N13	0.0°	0.5°
C10	C15	C14	H15	180.0°	179.8°
C10	C15	C14	H14	180.0°	179.8°
N11	C12	N16	N13	180.0°	180.0°
N11	C12	N13	C14	0.0°	0.0°
N11	C12	N16	C17	167.9°	180.0°
N11	C12	N16	HN16	46.0°	0.0°
N16	C12	N13	C14	180.0°	180.0°
C12	N16	C17	HN16	121.9°	179.9°
C12	N16	C17	C18	58.2°	180.0°
C12	N16	C17	H17	178.8°	59.9°
C12	N16	C17	H17A	62.3°	60.0°
C12	N13	C14	C15	0.0°	0.2°
C12	N13	C14	H14	180.0°	180.0°
N13	C12	N16	C17	12.0°	0.1°
N13	C12	N16	HN16	134.0°	180.0°
N13	C14	C15	H14	180.0°	179.7°
N13	C14	C15	H15	180.0°	179.7°
H14	C14	C15	H15	0.0°	0.1°
N16	C17	C18	H17	120.6°	120.1°
N16	C17	C18	H17A	120.6°	120.0°
N16	C17	H17	H17A	118.2°	120.0°
N16	C17	C18	C19	20.0°	89.7°
N16	C17	C18	C23	160.1°	90.0°
HN16	N16	C17	C18	63.7°	0.0°
HN16	N16	C17	H17	56.9°	120.0°
HN16	N16	C17	H17A	175.7°	120.1°
C18	C17	H17	H17A	118.2°	119.9°
C17	C18	C19	C23	179.9°	179.6°
C17	C18	C19	N20	180.0°	179.9°
C17	C18	C19	H19	0.0°	0.1°
C17	C18	C23	C22	180.0°	179.8°
C17	C18	C23	H23	0.0°	0.1°
H17	C17	C18	C19	100.6°	150.3°
H17	C17	C18	C23	79.3°	30.1°
H17A	C17	C18	C19	140.6°	30.4°
H17A	C17	C18	C23	39.5°	150.0°
C18	C19	N20	H19	180.0°	180.0°
C18	C19	N20	C21	0.0°	0.0°
C19	C18	C23	C22	0.1°	0.6°
C19	C18	C23	H23	180.0°	179.7°
C23	C18	C19	N20	0.1°	0.3°
C23	C18	C19	H19	179.9°	179.8°
C18	C23	C22	C21	0.0°	0.6°
C18	C23	C22	H23	180.0°	179.7°
C18	C23	C22	H22	180.0°	179.7°
C19	N20	C21	C22	0.0°	0.0°
C19	N20	C21	H21	180.0°	180.0°
H19	C19	N20	C21	180.0°	180.0°
N20	C21	C22	H21	180.0°	180.0°
N20	C21	C22	C23	0.0°	0.3°
N20	C21	C22	H22	180.0°	180.0°
C21	C22	C23	H22	180.0°	179.7°
C21	C22	C23	H23	180.0°	179.7°
H21	C21	C22	C23	179.9°	179.7°
H21	C21	C22	H22	0.1°	0.0°
H22	C22	C23	H23	0.0°	0.0°

Release date:	2016-03-23
Definition date:	2015-09-08
Last modified:	2016-03-18
Release status:	REL
Processing site:	EBI
Derived from:	5ANQ