ANT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.54Å
C1	C4A	sing	1.55Å	1.56Å
C1	H11A	sing	1.09Å	1.12Å
C1	H12A	sing	1.09Å	1.12Å
C2	C3	doub	1.35Å	1.35Å
C2	C12	sing	1.41Å	1.50Å
C3	N4	sing	1.34Å	1.44Å
C3	H3	sing	1.08Å	1.10Å
N4	C5	sing	1.37Å	1.36Å
N4	C4A	sing	1.50Å	1.53Å
C5	O5	doub	1.22Å	1.27Å
C5	C5A	sing	1.50Å	1.49Å
C5A	C6	doub	1.39Å	1.43Å	Aromatic
C5A	C9A	sing	1.37Å	1.44Å	Aromatic
C6	C7	sing	1.39Å	1.42Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	C8	doub	1.39Å	1.44Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C8M	sing	1.51Å	1.52Å
C8	C9	sing	1.38Å	1.36Å	Aromatic
C8M	HM81	sing	1.09Å	1.12Å
C8M	HM82	sing	1.09Å	1.11Å
C8M	HM83	sing	1.09Å	1.12Å
C9	C9A	doub	1.41Å	1.45Å	Aromatic
C9	O9	sing	1.36Å	1.38Å
C9A	N10	sing	1.36Å	1.34Å
O9	HO9	sing	0.97Å	0.95Å
N10	C11	sing	1.49Å	1.41Å
N10	HN	sing	1.01Å	1.02Å
C11	O11	sing	1.43Å	1.34Å
C11	C4A	sing	1.60Å	1.50Å
C11	H11	sing	1.09Å	1.12Å
O11	HO1	sing	0.97Å	0.95Å
C4A	H4A	sing	1.09Å	1.11Å
C12	C13	doub	1.36Å	1.37Å
C12	H12	sing	1.08Å	1.10Å
C13	C14	sing	1.41Å	1.48Å
C13	H13	sing	1.08Å	1.10Å
C14	O14	doub	1.22Å	1.27Å
C14	N15	sing	1.35Å	1.37Å
N15	HN51	sing	0.97Å	1.02Å
N15	HN52	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C4A	102.1°	104.1°
C2	C1	H11A	115.0°	110.5°
C2	C1	H12A	115.0°	110.5°
C1	C2	C3	110.6°	108.6°
C1	C2	C12	125.5°	125.8°
C4A	C1	H11A	115.1°	110.6°
C4A	C1	H12A	115.1°	110.5°
C1	C4A	N4	103.6°	101.6°
C1	C4A	C11	108.8°	103.4°
C1	C4A	H4A	111.8°	114.7°
H11A	C1	H12A	95.4°	110.6°
C3	C2	C12	119.0°	125.7°
C2	C3	N4	111.8°	113.0°
C2	C3	H3	121.3°	123.5°
C2	C12	C13	115.4°	120.0°
C2	C12	H12	126.4°	120.0°
N4	C3	H3	126.9°	123.5°
C3	N4	C5	118.4°	132.4°
C3	N4	C4A	107.2°	110.6°
C5	N4	C4A	122.6°	116.9°
N4	C5	O5	114.8°	123.6°
N4	C5	C5A	119.3°	112.8°
N4	C4A	C11	103.6°	106.4°
N4	C4A	H4A	116.4°	114.7°
O5	C5	C5A	124.5°	123.5°
C5	C5A	C6	117.0°	122.5°
C5	C5A	C9A	127.4°	114.0°
C6	C5A	C9A	115.6°	123.5°
C5A	C6	C7	123.9°	118.0°
C5A	C6	H6	118.3°	121.0°
C5A	C9A	C9	121.0°	118.0°
C5A	C9A	N10	120.6°	122.2°
C7	C6	H6	117.8°	121.0°
C6	C7	C8	117.8°	119.8°
C6	C7	H7	120.4°	120.1°
C8	C7	H7	121.8°	120.1°
C7	C8	C8M	118.1°	119.2°
C7	C8	C9	121.1°	121.5°
C8M	C8	C9	120.9°	119.2°
C8	C8M	HM81	118.0°	109.5°
C8	C8M	HM82	109.1°	109.5°
C8	C8M	HM83	109.1°	109.4°
C8	C9	C9A	120.6°	119.2°
C8	C9	O9	121.7°	120.4°
HM81	C8M	HM82	109.2°	109.5°
HM81	C8M	HM83	109.1°	109.5°
HM82	C8M	HM83	101.0°	109.5°
C9A	C9	O9	117.6°	120.4°
C9	C9A	N10	118.4°	119.7°
C9	O9	HO9	121.7°	106.8°
C9A	N10	C11	134.3°	109.9°
C9A	N10	HN	103.7°	106.9°
C11	N10	HN	103.6°	106.7°
N10	C11	O11	117.8°	111.0°
N10	C11	C4A	115.7°	101.6°
N10	C11	H11	103.5°	111.0°
O11	C11	C4A	120.6°	111.0°
O11	C11	H11	93.3°	110.9°
C11	O11	HO1	117.9°	106.8°
C4A	C11	H11	97.8°	111.0°
C11	C4A	H4A	111.9°	114.6°
C13	C12	H12	118.2°	120.0°
C12	C13	C14	122.6°	120.0°
C12	C13	H13	114.6°	120.0°
C14	C13	H13	122.9°	120.0°
C13	C14	O14	120.9°	120.0°
C13	C14	N15	108.9°	120.0°
O14	C14	N15	130.1°	120.0°
C14	N15	HN51	130.1°	120.0°
C14	N15	HN52	109.0°	119.9°
HN51	N15	HN52	120.8°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C4A	H11A	125.2°	118.7°
C2	C1	C4A	H12A	125.3°	118.6°
C2	C1	H11A	H12A	120.9°	122.6°
C1	C2	C3	C12	156.3°	180.0°
C1	C2	C3	N4	6.5°	2.9°
C1	C2	C3	H3	173.5°	177.1°
C2	C1	C4A	N4	21.1°	12.3°
C2	C1	C4A	C11	130.9°	97.8°
C2	C1	C4A	H4A	105.1°	136.7°
C1	C2	C12	C13	0.9°	0.0°
C1	C2	C12	H12	179.1°	180.0°
C4A	C1	H11A	H12A	121.0°	122.7°
C4A	C1	C2	C3	17.7°	6.7°
C4A	C1	C2	C12	172.1°	173.3°
C1	C4A	N4	C3	18.7°	14.9°
C1	C4A	N4	C5	160.6°	161.4°
C1	C4A	N4	C11	113.5°	107.8°
C1	C4A	N4	H4A	123.2°	124.4°
C1	C4A	C11	N10	170.7°	152.5°
C1	C4A	C11	O11	37.0°	89.4°
C1	C4A	C11	H4A	124.0°	125.6°
C1	C4A	C11	H11	61.5°	34.4°
H11A	C1	C2	C3	143.0°	112.1°
H11A	C1	C2	C12	62.6°	67.9°
H11A	C1	C4A	N4	146.3°	106.3°
H11A	C1	C4A	C11	103.9°	143.5°
H11A	C1	C4A	H4A	20.2°	18.0°
H12A	C1	C2	C3	107.6°	125.3°
H12A	C1	C2	C12	46.8°	54.7°
H12A	C1	C4A	N4	104.2°	130.9°
H12A	C1	C4A	C11	5.6°	20.8°
H12A	C1	C4A	H4A	129.7°	104.7°
C2	C3	N4	H3	180.0°	179.9°
C2	C3	N4	C5	152.1°	163.7°
C2	C3	N4	C4A	8.2°	11.9°
C3	C2	C12	C13	153.4°	180.0°
C3	C2	C12	H12	26.6°	0.0°
C12	C2	C3	N4	162.8°	177.1°
C12	C2	C3	H3	17.2°	2.9°
C2	C12	C13	H12	180.0°	180.0°
C2	C12	C13	C14	168.6°	180.0°
C2	C12	C13	H13	11.3°	0.0°
C3	N4	C5	C4A	138.0°	175.4°
C3	N4	C5	O5	21.6°	7.1°
C3	N4	C5	C5A	171.0°	172.8°
C3	N4	C4A	C11	132.2°	92.9°
C3	N4	C4A	H4A	104.5°	139.3°
H3	C3	N4	C5	28.0°	16.2°
H3	C3	N4	C4A	171.8°	168.2°
N4	C5	O5	C5A	166.6°	179.9°
N4	C5	C5A	C6	161.8°	130.9°
N4	C5	C5A	C9A	18.2°	49.1°
C5	N4	C4A	C11	85.8°	90.7°
C5	N4	C4A	H4A	37.4°	37.1°
C4A	N4	C5	O5	159.7°	168.3°
C4A	N4	C5	C5A	33.0°	11.7°
N4	C4A	C11	N10	60.9°	45.9°
N4	C4A	C11	O11	146.8°	164.0°
N4	C4A	C11	H4A	126.2°	127.8°
N4	C4A	C11	H11	48.2°	72.2°
O5	C5	C5A	C6	32.1°	49.2°
O5	C5	C5A	C9A	147.9°	130.8°
C5	C5A	C6	C9A	180.0°	180.0°
C5	C5A	C6	C7	179.6°	180.0°
C5	C5A	C6	H6	0.4°	0.0°
C5	C5A	C9A	C9	179.0°	179.7°
C5	C5A	C9A	N10	0.1°	0.7°
C5A	C6	C7	H6	180.0°	180.0°
C5A	C6	C7	C8	0.8°	0.1°
C5A	C6	C7	H7	179.1°	180.0°
C6	C5A	C9A	C9	1.0°	0.3°
C6	C5A	C9A	N10	179.9°	179.3°
C9A	C5A	C6	C7	0.4°	0.0°
C9A	C5A	C6	H6	179.6°	179.9°
C5A	C9A	C9	C8	2.0°	0.5°
C5A	C9A	C9	N10	178.9°	179.6°
C5A	C9A	C9	O9	179.9°	179.8°
C5A	C9A	N10	C11	39.9°	86.5°
C5A	C9A	N10	HN	165.2°	158.0°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C8M	179.2°	180.0°
C6	C7	C8	C9	0.2°	0.2°
H6	C6	C7	C8	179.2°	179.9°
H6	C6	C7	H7	0.9°	0.1°
C7	C8	C8M	C9	179.4°	179.8°
C7	C8	C8M	HM81	180.0°	89.9°
C7	C8	C8M	HM82	54.7°	150.0°
C7	C8	C8M	HM83	54.8°	30.0°
C7	C8	C9	C9A	1.5°	0.5°
C7	C8	C9	O9	179.5°	179.8°
H7	C7	C8	C8M	0.7°	0.0°
H7	C7	C8	C9	179.9°	179.8°
C8	C8M	HM81	HM82	125.2°	120.1°
C8	C8M	HM81	HM83	125.2°	120.0°
C8	C8M	HM82	HM83	114.8°	120.0°
C8M	C8	C9	C9A	177.8°	179.7°
C8M	C8	C9	O9	0.1°	0.4°
C9	C8	C8M	HM81	0.6°	90.3°
C9	C8	C8M	HM82	125.9°	29.8°
C9	C8	C8M	HM83	124.6°	149.8°
C8	C9	C9A	O9	178.0°	179.3°
C8	C9	C9A	N10	179.0°	179.1°
C8	C9	O9	HO9	180.0°	90.7°
HM81	C8M	HM82	HM83	114.9°	120.0°
C9A	C9	O9	HO9	1.9°	90.0°
C9	C9A	N10	C11	141.2°	93.1°
C9	C9A	N10	HN	15.9°	22.4°
O9	C9	C9A	N10	1.0°	0.2°
C9A	N10	C11	HN	125.3°	115.5°
C9A	N10	C11	O11	146.5°	68.1°
C9A	N10	C11	C4A	6.5°	50.0°
C9A	N10	C11	H11	112.3°	168.1°
N10	C11	O11	C4A	151.7°	112.2°
N10	C11	O11	H11	107.2°	123.9°
N10	C11	C4A	H11	109.2°	118.1°
N10	C11	O11	HO1	180.0°	67.7°
N10	C11	C4A	H4A	65.3°	81.9°
HN	N10	C11	O11	21.3°	47.4°
HN	N10	C11	C4A	131.8°	165.5°
HN	N10	C11	H11	122.5°	76.4°
O11	C11	C4A	H11	98.5°	123.8°
O11	C11	C4A	H4A	87.0°	36.2°
C4A	C11	O11	HO1	28.3°	180.0°
H11	C11	O11	HO1	72.8°	56.1°
H11	C11	C4A	H4A	174.4°	160.0°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	O14	23.5°	0.0°
C12	C13	C14	N15	160.2°	180.0°
H12	C12	C13	C14	11.4°	0.0°
H12	C12	C13	H13	168.7°	180.0°
C13	C14	O14	N15	175.5°	180.0°
C13	C14	N15	HN51	4.1°	180.0°
C13	C14	N15	HN52	180.0°	0.0°
H13	C13	C14	O14	156.6°	180.0°
H13	C13	C14	N15	19.8°	0.0°
O14	C14	N15	HN51	180.0°	0.0°
O14	C14	N15	HN52	4.1°	180.0°
C14	N15	HN51	HN52	175.5°	180.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	274D