AG4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O14	C1	doub	0.00Å	1.24Å
C1	N15	sing	0.00Å	1.33Å
C1	C6	sing	0.00Å	1.50Å
N15	C16	sing	0.00Å	1.47Å
C16	C17	sing	0.00Å	1.55Å
C17	C19	sing	0.00Å	1.55Å
C19	O18	sing	0.00Å	1.45Å
O18	C20	sing	0.00Å	1.44Å
C6	C7	doub	0.00Å	1.39Å	Aromatic
C6	C5	sing	0.00Å	1.41Å	Aromatic
C7	C2	sing	0.00Å	1.39Å	Aromatic
C5	N4	doub	0.00Å	1.36Å	Aromatic
C5	S10	sing	0.00Å	1.72Å
N4	C3	sing	0.00Å	1.35Å	Aromatic
C3	C2	doub	0.00Å	1.42Å	Aromatic
C2	S8	sing	0.00Å	1.60Å
S8	O12	doub	0.00Å	1.55Å
S8	O11	doub	0.00Å	1.53Å
S8	N9	sing	0.00Å	1.68Å
S10	C13	sing	0.00Å	1.71Å
C13	C21	doub	0.00Å	1.41Å	Aromatic
C13	C25	sing	0.00Å	1.39Å	Aromatic
C21	C22	sing	0.00Å	1.39Å	Aromatic
C22	C23	doub	0.00Å	1.39Å	Aromatic
C23	C24	sing	0.00Å	1.40Å	Aromatic
C24	C25	doub	0.00Å	1.40Å	Aromatic
N15	HN15	sing	0.00Å	1.00Å
C16	H16	sing	0.00Å	1.10Å
C16	H16A	sing	0.00Å	1.10Å
C17	H17	sing	0.00Å	1.10Å
C17	H17A	sing	0.00Å	1.10Å
C19	H19	sing	0.00Å	1.10Å
C19	H19A	sing	0.00Å	1.10Å
C20	H20	sing	0.00Å	1.10Å
C20	H20A	sing	0.00Å	1.10Å
C20	H20B	sing	0.00Å	1.10Å
C7	H7	sing	0.00Å	1.08Å
C3	H3	sing	0.00Å	1.08Å
N9	HN9	sing	0.00Å	1.00Å
N9	HN9A	sing	0.00Å	1.00Å
C21	H21	sing	0.00Å	1.08Å
C22	H22	sing	0.00Å	1.08Å
C23	H23	sing	0.00Å	1.08Å
C24	H24	sing	0.00Å	1.08Å
C25	H25	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O14	C1	N15	122.1°	90.0°
O14	C1	C6	116.8°	90.0°
N15	C1	C6	120.7°	90.0°
C1	N15	C16	120.0°	90.0°
C1	N15	HN15	120.0°	90.0°
C1	C6	C7	116.2°	90.0°
C1	C6	C5	121.3°	90.0°
N15	C16	C17	117.8°	90.0°
C16	N15	HN15	120.0°	90.0°
N15	C16	H16	106.8°	90.0°
N15	C16	H16A	104.8°	90.0°
C16	C17	C19	117.6°	90.0°
C17	C16	H16	106.8°	90.0°
C17	C16	H16A	104.8°	90.0°
C16	C17	H17	106.8°	90.0°
C16	C17	H17A	104.9°	90.0°
C17	C19	O18	110.0°	90.0°
C19	C17	H17	106.8°	90.0°
C19	C17	H17A	104.9°	90.0°
C17	C19	H19	109.3°	90.0°
C17	C19	H19A	109.2°	90.0°
C19	O18	C20	115.5°	90.0°
O18	C19	H19	109.3°	90.0°
O18	C19	H19A	109.2°	90.0°
O18	C20	H20	109.5°	90.0°
O18	C20	H20A	109.4°	90.0°
O18	C20	H20B	109.5°	90.0°
C7	C6	C5	122.4°	90.0°
C6	C7	C2	116.5°	90.0°
C6	C7	H7	121.7°	90.0°
C6	C5	N4	119.6°	90.0°
C6	C5	S10	118.9°	90.0°
C7	C2	C3	120.1°	90.0°
C7	C2	S8	122.2°	90.0°
C2	C7	H7	121.7°	90.0°
N4	C5	S10	121.5°	90.0°
C5	N4	C3	119.2°	90.0°
C5	S10	C13	108.6°	90.0°
N4	C3	C2	122.0°	90.0°
N4	C3	H3	119.0°	90.0°
C3	C2	S8	117.6°	90.0°
C2	C3	H3	119.0°	90.0°
C2	S8	O12	106.8°	90.0°
C2	S8	O11	104.6°	90.0°
C2	S8	N9	112.4°	90.0°
O12	S8	O11	111.8°	90.0°
O12	S8	N9	109.0°	90.0°
O11	S8	N9	112.0°	90.0°
S8	N9	HN9	109.5°	90.0°
S8	N9	HN9A	109.5°	90.0°
S10	C13	C21	120.4°	90.0°
S10	C13	C25	119.9°	90.0°
C21	C13	C25	119.6°	90.0°
C13	C21	C22	120.9°	90.0°
C13	C21	H21	119.5°	90.0°
C13	C25	C24	119.5°	90.0°
C13	C25	H25	120.3°	90.0°
C21	C22	C23	119.4°	90.0°
C22	C21	H21	119.5°	90.0°
C21	C22	H22	120.3°	90.0°
C22	C23	C24	120.1°	90.0°
C23	C22	H22	120.3°	90.0°
C22	C23	H23	119.9°	90.0°
C23	C24	C25	120.5°	90.0°
C24	C23	H23	120.0°	90.0°
C23	C24	H24	119.7°	90.0°
C25	C24	H24	119.8°	90.0°
C24	C25	H25	120.3°	90.0°
H16	C16	H16A	116.3°	90.0°
H17	C17	H17A	116.1°	90.0°
H19	C19	H19A	109.8°	90.0°
H20	C20	H20A	109.5°	90.0°
H20	C20	H20B	109.4°	90.0°
H20A	C20	H20B	109.5°	90.0°
HN9	N9	HN9A	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O14	C1	N15	C6	172.6°	90.0°
O14	C1	N15	C16	11.8°	90.0°
O14	C1	C6	C7	119.1°	90.0°
O14	C1	C6	C5	57.2°	90.0°
O14	C1	N15	HN15	168.2°	90.0°
C1	N15	C16	HN15	180.0°	90.0°
C1	N15	C16	C17	96.7°	90.0°
N15	C1	C6	C7	53.9°	90.0°
N15	C1	C6	C5	129.8°	90.0°
C1	N15	C16	H16	23.3°	90.0°
C1	N15	C16	H16A	147.2°	90.0°
C6	C1	N15	C16	160.8°	90.0°
C1	C6	C7	C5	176.2°	90.0°
C1	C6	C7	C2	176.4°	90.0°
C1	C6	C5	N4	177.3°	90.0°
C1	C6	C5	S10	3.8°	90.0°
C6	C1	N15	HN15	19.2°	90.0°
C1	C6	C7	H7	3.7°	90.0°
N15	C16	C17	H16	120.0°	90.0°
N15	C16	C17	H16A	116.0°	90.0°
N15	C16	C17	C19	55.3°	90.0°
N15	C16	H16	H16A	116.5°	90.0°
N15	C16	C17	H17	175.3°	90.0°
N15	C16	C17	H17A	60.9°	90.0°
C16	C17	C19	H17	120.0°	90.0°
C16	C17	C19	H17A	116.1°	90.0°
C16	C17	C19	O18	71.3°	90.0°
C17	C16	N15	HN15	83.3°	90.0°
C17	C16	H16	H16A	116.6°	90.0°
C16	C17	H17	H17A	116.6°	90.0°
C16	C17	C19	H19	168.7°	90.0°
C16	C17	C19	H19A	48.5°	90.0°
C17	C19	O18	H19	120.0°	90.0°
C17	C19	O18	H19A	119.8°	90.0°
C17	C19	O18	C20	134.0°	90.0°
C19	C17	C16	H16	64.7°	90.0°
C19	C17	C16	H16A	171.3°	90.0°
C19	C17	H17	H17A	116.7°	90.0°
C17	C19	H19	H19A	119.8°	90.0°
O18	C19	C17	H17	48.7°	90.0°
O18	C19	C17	H17A	172.6°	90.0°
O18	C19	H19	H19A	119.8°	90.0°
C19	O18	C20	H20	58.6°	90.0°
C19	O18	C20	H20A	178.6°	90.0°
C19	O18	C20	H20B	61.4°	90.0°
C20	O18	C19	H19	106.0°	90.0°
C20	O18	C19	H19A	14.2°	90.0°
O18	C20	H20	H20A	120.0°	90.0°
O18	C20	H20	H20B	120.0°	90.0°
O18	C20	H20A	H20B	120.0°	90.0°
C6	C7	C2	H7	180.0°	90.0°
C7	C6	C5	N4	1.2°	90.0°
C7	C6	C5	S10	179.8°	90.0°
C6	C7	C2	C3	0.9°	90.0°
C6	C7	C2	S8	178.7°	90.0°
C5	C6	C7	C2	0.1°	90.0°
C6	C5	N4	S10	178.9°	90.0°
C6	C5	N4	C3	1.3°	90.0°
C6	C5	S10	C13	175.5°	90.0°
C5	C6	C7	H7	179.9°	90.0°
C7	C2	C3	N4	0.8°	90.0°
C7	C2	C3	S8	177.9°	90.0°
C7	C2	S8	O12	124.2°	90.0°
C7	C2	S8	O11	117.1°	90.0°
C7	C2	S8	N9	4.7°	90.0°
C7	C2	C3	H3	179.2°	90.0°
C5	N4	C3	C2	0.3°	90.0°
N4	C5	S10	C13	3.4°	90.0°
C5	N4	C3	H3	179.7°	90.0°
S10	C5	N4	C3	179.8°	90.0°
C5	S10	C13	C21	82.9°	90.0°
C5	S10	C13	C25	100.3°	90.0°
N4	C3	C2	H3	180.0°	90.0°
N4	C3	C2	S8	178.7°	90.0°
C3	C2	S8	O12	58.0°	90.0°
C3	C2	S8	O11	60.7°	90.0°
C3	C2	S8	N9	177.5°	90.0°
C3	C2	C7	H7	179.1°	90.0°
C2	S8	O12	O11	113.9°	90.0°
C2	S8	O12	N9	121.6°	90.0°
C2	S8	O11	N9	122.0°	90.0°
S8	C2	C7	H7	1.3°	90.0°
S8	C2	C3	H3	1.3°	90.0°
C2	S8	N9	HN9	90.5°	90.0°
C2	S8	N9	HN9A	29.5°	90.0°
O12	S8	O11	N9	122.8°	90.0°
O12	S8	N9	HN9	27.7°	90.0°
O12	S8	N9	HN9A	147.7°	90.0°
O11	S8	N9	HN9	152.0°	90.0°
O11	S8	N9	HN9A	88.0°	90.0°
S8	N9	HN9	HN9A	120.0°	90.0°
S10	C13	C21	C25	176.9°	90.0°
S10	C13	C21	C22	179.1°	90.0°
S10	C13	C25	C24	179.1°	90.0°
S10	C13	C21	H21	1.0°	90.0°
S10	C13	C25	H25	0.9°	90.0°
C13	C21	C22	H21	180.0°	90.0°
C13	C21	C22	C23	0.6°	90.0°
C21	C13	C25	C24	2.2°	90.0°
C13	C21	C22	H22	179.4°	90.0°
C21	C13	C25	H25	177.8°	90.0°
C25	C13	C21	C22	2.2°	90.0°
C13	C25	C24	C23	0.7°	90.0°
C13	C25	C24	H25	180.0°	90.0°
C25	C13	C21	H21	177.8°	90.0°
C13	C25	C24	H24	179.3°	90.0°
C21	C22	C23	H22	180.0°	90.0°
C21	C22	C23	C24	0.9°	90.0°
C21	C22	C23	H23	179.1°	90.0°
C22	C23	C24	H23	180.0°	90.0°
C22	C23	C24	C25	0.9°	90.0°
C23	C22	C21	H21	179.4°	90.0°
C22	C23	C24	H24	179.2°	90.0°
C23	C24	C25	H24	180.0°	90.0°
C24	C23	C22	H22	179.1°	90.0°
C23	C24	C25	H25	179.3°	90.0°
C25	C24	C23	H23	179.2°	90.0°
HN15	N15	C16	H16	156.7°	90.0°
HN15	N15	C16	H16A	32.7°	90.0°
H16	C16	C17	H17	55.3°	90.0°
H16	C16	C17	H17A	179.1°	90.0°
H16A	C16	C17	H17	68.6°	90.0°
H16A	C16	C17	H17A	55.2°	90.0°
H17	C17	C19	H19	71.3°	90.0°
H17	C17	C19	H19A	168.5°	90.0°
H17A	C17	C19	H19	52.6°	90.0°
H17A	C17	C19	H19A	67.6°	90.0°
H20	C20	H20A	H20B	120.0°	90.0°
H21	C21	C22	H22	0.6°	90.0°
H22	C22	C23	H23	0.8°	90.0°
H23	C23	C24	H24	0.8°	90.0°
H24	C24	C25	H25	0.7°	90.0°

Definition date:	2008-11-11
Last modified:	2012-01-05
Release status:	REL
Processing site:	RCSB
Derived from:	3F7U