6YJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C25	C24	sing	1.53Å	1.53Å
C23	C24	sing	1.53Å	1.54Å
C23	C15	sing	1.53Å	1.52Å
C24	C26	sing	1.51Å	1.56Å
C16	C15	sing	1.53Å	1.53Å
C16	C17	sing	1.51Å	1.51Å
C15	N3	sing	1.47Å	1.46Å
C22	C17	doub	1.38Å	1.39Å	Aromatic
C22	C21	sing	1.38Å	1.39Å	Aromatic
C26	O3	doub	1.21Å	1.22Å
C26	O4	sing	1.34Å	1.31Å
C17	C18	sing	1.38Å	1.39Å	Aromatic
C21	C20	doub	1.39Å	1.40Å	Aromatic
C18	C19	doub	1.38Å	1.38Å	Aromatic
C20	C19	sing	1.39Å	1.40Å	Aromatic
C20	N4	sing	1.40Å	1.37Å
N3	H10	sing	1.01Å	1.00Å
C21	H20	sing	1.08Å	1.08Å
C18	H23	sing	1.08Å	1.08Å
C16	H24	sing	1.09Å	1.10Å
C16	H25	sing	1.09Å	1.10Å
C19	H26	sing	1.08Å	1.08Å
C15	H35	sing	1.09Å	1.10Å
C22	H36	sing	1.08Å	1.08Å
N4	H37	sing	0.97Å	1.00Å
N4	H38	sing	0.97Å	1.00Å
C23	H39	sing	1.09Å	1.10Å
C23	H40	sing	1.09Å	1.10Å
C24	H41	sing	1.09Å	1.10Å
C25	H42	sing	1.09Å	1.10Å
C25	H43	sing	1.09Å	1.10Å
C25	H44	sing	1.09Å	1.10Å
O4	H45	sing	0.97Å	0.95Å
N3	H2	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C25	C24	C23	110.5°	109.5°
C25	C24	C26	107.0°	109.5°
C25	C24	H41	107.8°	109.5°
C24	C25	H42	109.5°	109.5°
C24	C25	H43	109.5°	109.5°
C24	C25	H44	109.5°	109.5°
C24	C23	C15	117.2°	109.5°
C23	C24	C26	116.3°	109.5°
C24	C23	H39	107.5°	109.5°
C24	C23	H40	107.5°	109.4°
C23	C24	H41	107.6°	109.5°
C23	C15	C16	112.0°	109.5°
C23	C15	N3	114.4°	109.5°
C23	C15	H35	106.6°	109.5°
C15	C23	H39	107.5°	109.5°
C15	C23	H40	107.5°	109.5°
C24	C26	O3	123.6°	120.0°
C24	C26	O4	112.8°	120.0°
C26	C24	H41	107.3°	109.5°
C15	C16	C17	112.7°	109.5°
C16	C15	N3	109.5°	109.5°
C15	C16	H24	108.7°	109.5°
C15	C16	H25	108.7°	109.5°
C16	C15	H35	106.6°	109.5°
C16	C17	C22	120.9°	119.9°
C16	C17	C18	120.6°	120.0°
C17	C16	H24	108.7°	109.4°
C17	C16	H25	108.6°	109.5°
C15	N3	H10	109.5°	111.0°
N3	C15	H35	107.3°	109.5°
C15	N3	H2	109.5°	111.0°
C17	C22	C21	121.1°	120.1°
C22	C17	C18	118.3°	120.2°
C17	C22	H36	119.4°	120.0°
C22	C21	C20	120.5°	119.9°
C22	C21	H20	119.7°	120.0°
C21	C22	H36	119.5°	120.0°
O3	C26	O4	123.6°	120.0°
C26	O4	H45	109.5°	117.0°
C17	C18	C19	121.2°	120.1°
C17	C18	H23	119.4°	119.9°
C21	C20	C19	118.2°	119.9°
C21	C20	N4	121.0°	120.1°
C20	C21	H20	119.7°	120.0°
C18	C19	C20	120.6°	119.9°
C19	C18	H23	119.4°	120.0°
C18	C19	H26	119.7°	120.0°
C19	C20	N4	120.8°	120.1°
C20	C19	H26	119.7°	120.0°
C20	N4	H37	109.5°	120.0°
C20	N4	H38	109.5°	120.0°
H10	N3	H2	109.5°	111.0°
H24	C16	H25	109.5°	109.5°
H37	N4	H38	109.5°	120.0°
H39	C23	H40	109.5°	109.5°
H42	C25	H43	109.5°	109.5°
H42	C25	H44	109.4°	109.5°
H43	C25	H44	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C25	C24	C23	C26	122.3°	120.0°
C25	C24	C23	H41	117.4°	120.0°
C25	C24	C23	C15	169.5°	173.4°
C25	C24	C26	H41	115.4°	120.0°
C25	C24	C26	O3	94.1°	120.0°
C25	C24	C26	O4	85.4°	60.0°
C25	C24	C23	H39	69.4°	66.6°
C25	C24	C23	H40	48.4°	53.4°
C24	C25	H42	H43	120.0°	120.0°
C24	C25	H42	H44	120.0°	120.0°
C24	C25	H43	H44	120.0°	120.0°
C24	C23	C15	H39	121.1°	120.0°
C24	C23	C15	H40	121.1°	120.0°
C23	C24	C26	H41	120.5°	120.0°
C24	C23	C15	C16	176.0°	174.6°
C24	C23	C15	N3	58.7°	65.4°
C23	C24	C26	O3	141.8°	0.0°
C23	C24	C26	O4	38.7°	180.0°
C24	C23	C15	H35	59.8°	54.6°
C24	C23	H39	H40	116.5°	120.0°
C23	C24	C25	H42	180.0°	177.6°
C23	C24	C25	H43	60.0°	62.4°
C23	C24	C25	H44	60.0°	57.6°
C15	C23	C24	C26	47.2°	66.6°
C23	C15	C16	N3	128.0°	120.0°
C23	C15	C16	H35	116.2°	120.0°
C23	C15	C16	C17	177.5°	175.0°
C23	C15	N3	H35	118.1°	120.0°
C23	C15	N3	H10	180.0°	60.0°
C23	C15	C16	H24	62.0°	65.0°
C23	C15	C16	H25	57.0°	55.0°
C15	C23	H39	H40	116.5°	120.0°
C15	C23	C24	H41	73.1°	53.4°
C23	C15	N3	H2	60.0°	176.1°
C24	C26	O3	O4	179.5°	180.0°
C26	C24	C23	H39	168.3°	53.4°
C26	C24	C23	H40	73.9°	173.4°
C26	C24	C25	H42	52.5°	62.4°
C26	C24	C25	H43	67.5°	57.6°
C26	C24	C25	H44	172.5°	177.6°
C24	C26	O4	H45	179.6°	180.0°
C15	C16	C17	H24	120.5°	120.0°
C15	C16	C17	H25	120.5°	120.0°
C16	C15	N3	H35	115.3°	120.0°
C15	C16	C17	C22	106.3°	89.5°
C15	C16	C17	C18	69.5°	90.0°
C16	C15	N3	H10	53.4°	60.0°
C15	C16	H24	H25	118.5°	120.0°
C16	C15	C23	H39	62.9°	54.6°
C16	C15	C23	H40	54.9°	65.4°
C16	C15	N3	H2	173.4°	63.9°
C17	C16	C15	N3	54.5°	65.0°
C16	C17	C22	C18	175.9°	179.4°
C16	C17	C22	C21	175.4°	179.7°
C16	C17	C18	C19	175.2°	180.0°
C16	C17	C18	H23	4.8°	0.5°
C17	C16	H24	H25	118.5°	120.0°
C17	C16	C15	H35	61.3°	55.0°
C16	C17	C22	H36	4.6°	0.5°
C15	N3	H10	H2	120.0°	123.9°
N3	C15	C16	H24	66.0°	54.9°
N3	C15	C16	H25	175.0°	175.0°
N3	C15	C23	H39	62.5°	174.6°
N3	C15	C23	H40	179.8°	54.6°
C17	C22	C21	H36	180.0°	179.7°
C17	C22	C21	C20	0.3°	0.0°
C22	C17	C18	C19	0.7°	0.6°
C17	C22	C21	H20	179.7°	180.0°
C22	C17	C18	H23	179.3°	180.0°
C22	C17	C16	H24	14.2°	150.5°
C22	C17	C16	H25	133.3°	30.5°
C21	C22	C17	C18	0.5°	0.3°
C22	C21	C20	H20	180.0°	179.9°
C22	C21	C20	C19	0.3°	0.0°
C22	C21	C20	N4	177.5°	179.8°
O3	C26	C24	H41	21.3°	120.0°
O3	C26	O4	H45	0.0°	0.1°
O4	C26	C24	H41	159.1°	60.0°
C17	C18	C19	H23	180.0°	179.4°
C17	C18	C19	C20	0.8°	0.5°
C18	C17	C16	H24	170.0°	30.0°
C18	C17	C16	H25	50.9°	150.0°
C17	C18	C19	H26	179.2°	179.5°
C18	C17	C22	H36	179.5°	180.0°
C21	C20	C19	C18	0.5°	0.2°
C21	C20	C19	N4	177.8°	179.8°
C21	C20	C19	H26	179.4°	179.8°
C20	C21	C22	H36	179.7°	179.7°
C21	C20	N4	H37	180.0°	179.8°
C21	C20	N4	H38	60.0°	0.1°
C18	C19	C20	H26	180.0°	180.0°
C18	C19	C20	N4	177.3°	179.9°
C19	C20	C21	H20	179.7°	180.0°
C20	C19	C18	H23	179.3°	180.0°
C19	C20	N4	H37	2.2°	0.1°
C19	C20	N4	H38	122.2°	179.9°
N4	C20	C21	H20	2.5°	0.2°
N4	C20	C19	H26	2.7°	0.0°
C20	N4	H37	H38	120.0°	179.9°
H10	N3	C15	H35	61.9°	180.0°
H20	C21	C22	H36	0.3°	0.2°
H23	C18	C19	H26	0.8°	0.1°
H24	C16	C15	H35	178.2°	174.9°
H25	C16	C15	H35	59.2°	65.0°
H35	C15	C23	H39	179.0°	65.4°
H35	C15	C23	H40	61.3°	174.6°
H35	C15	N3	H2	58.1°	56.1°
H39	C23	C24	H41	48.0°	173.3°
H40	C23	C24	H41	165.8°	66.7°
H41	C24	C25	H42	62.7°	57.6°
H41	C24	C25	H43	177.3°	177.6°
H41	C24	C25	H44	57.3°	62.4°
H42	C25	H43	H44	120.0°	119.9°

Release date:	2016-12-28
Definition date:	2016-07-25
Last modified:	2016-12-22
Release status:	REL
Processing site:	RCSB
Derived from:	5KX5