AG5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O14	C1	doub	1.22Å	1.25Å
C1	N15	sing	1.35Å	1.37Å
C1	C6	sing	1.47Å	1.52Å
N15	C16	sing	1.46Å	1.50Å
C16	C17	sing	1.53Å	1.53Å
C17	C18	sing	1.51Å	1.54Å
C18	C24	doub	1.38Å	1.34Å	Aromatic
C18	C28	sing	1.38Å	1.36Å	Aromatic
C24	C25	sing	1.38Å	1.33Å	Aromatic
C25	C26	doub	1.38Å	1.35Å	Aromatic
C26	C27	sing	1.38Å	1.37Å	Aromatic
C27	C28	doub	1.38Å	1.40Å	Aromatic
C6	C7	doub	1.40Å	1.39Å	Aromatic
C6	C5	sing	1.41Å	1.40Å	Aromatic
C7	C2	sing	1.38Å	1.37Å	Aromatic
C5	N4	doub	1.33Å	1.30Å	Aromatic
C5	S10	sing	1.76Å	1.78Å
N4	C3	sing	1.32Å	1.33Å	Aromatic
C3	C2	doub	1.38Å	1.38Å	Aromatic
C2	S8	sing	1.76Å	1.78Å
S8	O11	doub	1.42Å	1.45Å
S8	O12	doub	1.42Å	1.44Å
S8	N9	sing	1.66Å	1.70Å
S10	C13	sing	1.76Å	1.74Å
C13	C19	doub	1.39Å	1.40Å	Aromatic
C13	C23	sing	1.39Å	1.41Å	Aromatic
C19	C20	sing	1.38Å	1.38Å	Aromatic
C20	C21	doub	1.38Å	1.40Å	Aromatic
C21	C22	sing	1.38Å	1.40Å	Aromatic
C22	C23	doub	1.38Å	1.40Å	Aromatic
N15	HN15	sing	0.97Å	1.00Å
C16	H16	sing	1.09Å	1.10Å
C16	H16A	sing	1.09Å	1.10Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C24	H24	sing	1.08Å	1.08Å
C25	H25	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å
C27	H27	sing	1.08Å	1.08Å
C28	H28	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
N9	HN9	sing	0.97Å	1.00Å
N9	HN9A	sing	0.97Å	1.00Å
C19	H19	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
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)
O14	C1	N15	120.5°	120.0°
O14	C1	C6	119.7°	120.0°
N15	C1	C6	119.7°	120.0°
C1	N15	C16	124.1°	120.0°
C1	N15	HN15	118.0°	119.9°
C1	C6	C7	123.9°	120.6°
C1	C6	C5	115.6°	120.6°
N15	C16	C17	111.4°	109.5°
C16	N15	HN15	117.9°	120.1°
N15	C16	H16	108.8°	109.5°
N15	C16	H16A	108.4°	109.5°
C16	C17	C18	113.4°	109.5°
C17	C16	H16	108.8°	109.5°
C17	C16	H16A	108.4°	109.4°
C16	C17	H17	108.2°	109.5°
C16	C17	H17A	107.3°	109.4°
C17	C18	C24	118.2°	120.0°
C17	C18	C28	123.7°	120.0°
C18	C17	H17	108.2°	109.5°
C18	C17	H17A	107.3°	109.5°
C24	C18	C28	118.1°	120.0°
C18	C24	C25	120.5°	120.0°
C18	C24	H24	119.7°	120.0°
C18	C28	C27	122.2°	120.0°
C18	C28	H28	118.9°	120.0°
C24	C25	C26	123.1°	120.0°
C25	C24	H24	119.8°	120.0°
C24	C25	H25	118.5°	120.0°
C25	C26	C27	118.6°	120.0°
C26	C25	H25	118.4°	120.0°
C25	C26	H26	120.7°	120.0°
C26	C27	C28	117.5°	120.0°
C27	C26	H26	120.7°	120.0°
C26	C27	H27	121.3°	120.0°
C28	C27	H27	121.3°	120.1°
C27	C28	H28	118.9°	120.0°
C7	C6	C5	120.2°	118.8°
C6	C7	C2	116.2°	118.4°
C6	C7	H7	121.9°	120.8°
C6	C5	N4	120.9°	120.3°
C6	C5	S10	119.9°	119.8°
C7	C2	C3	120.7°	119.5°
C7	C2	S8	122.8°	120.2°
C2	C7	H7	121.9°	120.8°
N4	C5	S10	119.1°	119.9°
C5	N4	C3	120.1°	121.8°
C5	S10	C13	109.3°	100.0°
N4	C3	C2	121.5°	121.2°
N4	C3	H3	119.2°	119.3°
C3	C2	S8	116.4°	120.2°
C2	C3	H3	119.2°	119.4°
C2	S8	O11	103.4°	106.4°
C2	S8	O12	105.8°	106.4°
C2	S8	N9	107.9°	107.2°
O11	S8	O12	119.7°	123.2°
O11	S8	N9	109.6°	106.4°
O12	S8	N9	109.7°	106.4°
S8	N9	HN9	109.5°	120.0°
S8	N9	HN9A	109.5°	120.0°
S10	C13	C19	118.5°	120.1°
S10	C13	C23	118.6°	120.1°
C19	C13	C23	122.9°	119.9°
C13	C19	C20	118.8°	119.9°
C13	C19	H19	120.6°	120.0°
C13	C23	C22	117.1°	119.9°
C13	C23	H23	121.4°	120.1°
C19	C20	C21	119.8°	120.0°
C20	C19	H19	120.6°	120.0°
C19	C20	H20	120.1°	120.0°
C20	C21	C22	120.8°	120.2°
C21	C20	H20	120.1°	120.0°
C20	C21	H21	119.6°	119.9°
C21	C22	C23	120.5°	120.1°
C22	C21	H21	119.6°	119.9°
C21	C22	H22	119.7°	119.9°
C23	C22	H22	119.8°	120.0°
C22	C23	H23	121.4°	120.0°
H16	C16	H16A	111.0°	109.5°
H17	C17	H17A	112.5°	109.5°
HN9	N9	HN9A	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O14	C1	N15	C6	176.8°	179.8°
O14	C1	N15	C16	2.9°	0.1°
O14	C1	C6	C7	153.5°	179.9°
O14	C1	C6	C5	32.7°	0.3°
O14	C1	N15	HN15	177.1°	180.0°
C1	N15	C16	HN15	180.0°	180.0°
C1	N15	C16	C17	78.3°	179.9°
N15	C1	C6	C7	29.6°	0.2°
N15	C1	C6	C5	144.1°	179.5°
C1	N15	C16	H16	41.7°	60.0°
C1	N15	C16	H16A	162.6°	60.0°
C6	C1	N15	C16	179.7°	179.7°
C1	C6	C7	C5	173.5°	179.7°
C1	C6	C7	C2	179.4°	180.0°
C1	C6	C5	N4	178.7°	180.0°
C1	C6	C5	S10	1.0°	0.0°
C6	C1	N15	HN15	0.3°	0.2°
C1	C6	C7	H7	0.5°	0.1°
N15	C16	C17	H16	120.0°	120.0°
N15	C16	C17	H16A	119.2°	120.0°
N15	C16	C17	C18	35.6°	180.0°
N15	C16	H16	H16A	119.2°	120.0°
N15	C16	C17	H17	84.4°	60.0°
N15	C16	C17	H17A	153.9°	60.0°
C16	C17	C18	H17	120.0°	120.1°
C16	C17	C18	H17A	118.3°	119.9°
C16	C17	C18	C24	91.6°	90.0°
C16	C17	C18	C28	86.9°	90.2°
C17	C16	N15	HN15	101.8°	0.0°
C17	C16	H16	H16A	119.2°	120.0°
C16	C17	H17	H17A	118.4°	119.9°
C17	C18	C24	C28	178.6°	179.8°
C17	C18	C24	C25	178.4°	180.0°
C17	C18	C28	C27	177.7°	179.8°
C18	C17	C16	H16	155.6°	60.0°
C18	C17	C16	H16A	83.6°	60.1°
C18	C17	H17	H17A	118.4°	120.0°
C17	C18	C24	H24	1.6°	0.0°
C17	C18	C28	H28	2.3°	0.1°
C18	C24	C25	H24	180.0°	180.0°
C18	C24	C25	C26	1.6°	0.0°
C24	C18	C28	C27	0.8°	0.4°
C24	C18	C17	H17	28.4°	30.0°
C24	C18	C17	H17A	150.1°	150.1°
C18	C24	C25	H25	178.4°	179.9°
C24	C18	C28	H28	179.2°	179.7°
C28	C18	C24	C25	0.2°	0.2°
C18	C28	C27	C26	0.5°	0.4°
C18	C28	C27	H28	180.0°	179.9°
C28	C18	C17	H17	153.1°	149.7°
C28	C18	C17	H17A	31.4°	29.7°
C28	C18	C24	H24	179.7°	179.8°
C18	C28	C27	H27	179.6°	179.7°
C24	C25	C26	H25	180.0°	179.9°
C24	C25	C26	C27	2.9°	0.1°
C24	C25	C26	H26	177.1°	180.0°
C25	C26	C27	H26	180.0°	179.9°
C25	C26	C27	C28	2.2°	0.1°
C26	C25	C24	H24	178.4°	180.0°
C25	C26	C27	H27	177.8°	180.0°
C26	C27	C28	H27	180.0°	179.9°
C27	C26	C25	H25	177.1°	180.0°
C26	C27	C28	H28	179.5°	179.8°
C28	C27	C26	H26	177.8°	179.8°
C6	C7	C2	H7	180.0°	179.9°
C7	C6	C5	N4	4.7°	0.2°
C7	C6	C5	S10	175.0°	179.7°
C6	C7	C2	C3	6.1°	0.0°
C6	C7	C2	S8	176.9°	180.0°
C5	C6	C7	C2	7.0°	0.2°
C6	C5	N4	S10	179.7°	180.0°
C6	C5	N4	C3	1.1°	0.0°
C6	C5	S10	C13	177.5°	174.8°
C5	C6	C7	H7	173.0°	179.8°
C7	C2	C3	N4	2.8°	0.2°
C7	C2	C3	S8	177.2°	180.0°
C7	C2	S8	O11	104.4°	156.5°
C7	C2	S8	O12	128.9°	23.6°
C7	C2	S8	N9	11.6°	90.0°
C7	C2	C3	H3	177.2°	180.0°
C5	N4	C3	C2	0.1°	0.2°
N4	C5	S10	C13	2.3°	5.2°
C5	N4	C3	H3	179.9°	180.0°
S10	C5	N4	C3	178.7°	180.0°
C5	S10	C13	C19	66.5°	94.8°
C5	S10	C13	C23	115.3°	85.4°
N4	C3	C2	H3	180.0°	179.8°
N4	C3	C2	S8	180.0°	179.8°
C3	C2	S8	O11	72.7°	23.5°
C3	C2	S8	O12	54.0°	156.5°
C3	C2	S8	N9	171.3°	90.0°
C3	C2	C7	H7	173.9°	180.0°
C2	S8	O11	O12	117.3°	123.0°
C2	S8	O11	N9	114.8°	114.1°
C2	S8	O12	N9	116.1°	114.1°
S8	C2	C7	H7	3.1°	0.0°
S8	C2	C3	H3	0.0°	0.0°
C2	S8	N9	HN9	90.8°	0.0°
C2	S8	N9	HN9A	149.2°	180.0°
O11	S8	O12	N9	127.8°	122.9°
O11	S8	N9	HN9	21.1°	113.5°
O11	S8	N9	HN9A	98.9°	66.4°
O12	S8	N9	HN9	154.3°	113.6°
O12	S8	N9	HN9A	34.4°	66.4°
S8	N9	HN9	HN9A	120.0°	180.0°
S10	C13	C19	C23	178.1°	179.8°
S10	C13	C19	C20	178.0°	180.0°
S10	C13	C23	C22	179.2°	179.7°
S10	C13	C19	H19	1.9°	0.0°
S10	C13	C23	H23	0.8°	0.0°
C13	C19	C20	H19	180.0°	179.9°
C13	C19	C20	C21	0.9°	0.1°
C19	C13	C23	C22	1.1°	0.5°
C13	C19	C20	H20	179.1°	180.0°
C19	C13	C23	H23	178.9°	179.8°
C23	C13	C19	C20	0.1°	0.2°
C13	C23	C22	C21	1.4°	0.5°
C13	C23	C22	H23	180.0°	179.7°
C23	C13	C19	H19	179.9°	179.7°
C13	C23	C22	H22	178.6°	179.7°
C19	C20	C21	H20	180.0°	179.9°
C19	C20	C21	C22	0.6°	0.1°
C19	C20	C21	H21	179.4°	179.9°
C20	C21	C22	H21	180.0°	180.0°
C20	C21	C22	C23	0.7°	0.2°
C21	C20	C19	H19	179.1°	180.0°
C20	C21	C22	H22	179.4°	180.0°
C21	C22	C23	H22	180.0°	179.7°
C22	C21	C20	H20	179.4°	180.0°
C21	C22	C23	H23	178.6°	179.8°
C23	C22	C21	H21	179.4°	179.8°
HN15	N15	C16	H16	138.2°	120.0°
HN15	N15	C16	H16A	17.4°	120.0°
H16	C16	C17	H17	35.6°	180.0°
H16	C16	C17	H17A	86.1°	60.0°
H16A	C16	C17	H17	156.4°	60.0°
H16A	C16	C17	H17A	34.7°	180.0°
H24	C24	C25	H25	1.6°	0.1°
H25	C25	C26	H26	2.9°	0.1°
H26	C26	C27	H27	2.2°	0.1°
H27	C27	C28	H28	0.5°	0.1°
H19	C19	C20	H20	0.9°	0.1°
H20	C20	C21	H21	0.6°	0.0°
H21	C21	C22	H22	0.6°	0.0°
H22	C22	C23	H23	1.4°	0.0°

Definition date:	2008-11-11
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3F7B