PMU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.48Å	1.47Å
C1	C9	sing	1.55Å	1.54Å
N1	C5	sing	1.40Å	1.38Å
N1	C8	sing	1.47Å	1.47Å
O1	C2	sing	1.36Å	1.38Å
C2	C3	doub	1.39Å	1.43Å	Aromatic
C2	C7	sing	1.40Å	1.43Å	Aromatic
O2	C10	sing	1.43Å	1.42Å
C3	C4	sing	1.38Å	1.43Å	Aromatic
O3	C9	sing	1.43Å	1.42Å
C4	C5	doub	1.39Å	1.42Å	Aromatic
C5	C6	sing	1.39Å	1.42Å	Aromatic
C6	C7	doub	1.39Å	1.44Å	Aromatic
C7	C15	sing	1.48Å	1.52Å	Aromatic
C8	C10	sing	1.54Å	1.52Å
C9	C10	sing	1.55Å	1.54Å
C11	C12	sing	1.53Å	1.54Å
C11	C18	sing	1.53Å	1.54Å
C11	C19	sing	1.51Å	1.52Å
C15	N16	doub	1.33Å	1.41Å	Aromatic
C15	C20	sing	1.40Å	1.41Å	Aromatic
N16	C17	sing	1.32Å	1.35Å	Aromatic
C17	N18	doub	1.32Å	1.34Å	Aromatic
C17	N21	sing	1.38Å	1.32Å
N18	C19	sing	1.32Å	1.36Å	Aromatic
C19	C20	doub	1.38Å	1.43Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å
C3	H3	sing	1.08Å	1.08Å
O3	HO3	sing	0.97Å	0.95Å
C4	H4	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C12	H12B	sing	1.09Å	1.10Å
C18	H18	sing	1.09Å	1.10Å
C18	H18A	sing	1.09Å	1.10Å
C18	H18B	sing	1.09Å	1.10Å
C20	H20	sing	1.08Å	1.08Å
N21	HN21	sing	0.97Å	1.00Å
N21	HN2A	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C9	102.5°	104.8°
C1	N1	C5	123.8°	111.0°
C1	N1	C8	114.3°	108.5°
N1	C1	H1	111.9°	110.4°
N1	C1	H1A	111.9°	110.4°
C1	C9	O3	112.0°	111.0°
C1	C9	C10	105.6°	101.7°
C9	C1	H1	111.9°	110.4°
C9	C1	H1A	111.9°	110.4°
C1	C9	H9	110.6°	111.0°
C5	N1	C8	121.9°	111.0°
N1	C5	C4	120.6°	120.0°
N1	C5	C6	120.0°	120.0°
N1	C8	C10	102.4°	107.3°
N1	C8	H8	111.9°	109.9°
N1	C8	H8A	111.9°	109.8°
O1	C2	C3	116.5°	120.0°
O1	C2	C7	122.2°	120.1°
C2	O1	HO1	109.5°	114.0°
C3	C2	C7	121.3°	119.9°
C2	C3	C4	121.0°	120.2°
C2	C3	H3	119.5°	119.9°
C2	C7	C6	116.2°	119.7°
C2	C7	C15	121.5°	120.1°
O2	C10	C8	112.3°	110.7°
O2	C10	C9	109.4°	110.7°
C10	O2	HO2	109.5°	114.0°
O2	C10	H10	106.0°	110.7°
C3	C4	C5	118.9°	120.2°
C4	C3	H3	119.5°	119.9°
C3	C4	H4	120.5°	119.9°
O3	C9	C10	110.0°	110.9°
C9	O3	HO3	109.5°	114.0°
O3	C9	H9	106.2°	110.9°
C4	C5	C6	119.5°	120.1°
C5	C4	H4	120.6°	119.8°
C5	C6	C7	123.1°	119.9°
C5	C6	H6	118.5°	120.1°
C6	C7	C15	122.2°	120.2°
C7	C6	H6	118.5°	120.0°
C7	C15	N16	122.7°	120.5°
C7	C15	C20	121.8°	120.5°
C8	C10	C9	104.1°	103.0°
C10	C8	H8	111.9°	109.9°
C10	C8	H8A	111.9°	109.9°
C8	C10	H10	111.2°	110.7°
C10	C9	H9	112.6°	111.0°
C9	C10	H10	114.0°	110.9°
C12	C11	C18	110.9°	109.4°
C12	C11	C19	111.2°	109.5°
C12	C11	H11	107.5°	109.5°
C11	C12	H12	109.5°	109.5°
C11	C12	H12A	109.5°	109.5°
C11	C12	H12B	109.5°	109.5°
C18	C11	C19	110.1°	109.4°
C18	C11	H11	108.7°	109.5°
C11	C18	H18	109.5°	109.5°
C11	C18	H18A	109.4°	109.4°
C11	C18	H18B	109.5°	109.5°
C11	C19	N18	114.9°	120.3°
C11	C19	C20	122.7°	120.3°
C19	C11	H11	108.4°	109.5°
N16	C15	C20	115.5°	119.0°
C15	N16	C17	121.5°	120.6°
C15	C20	C19	119.4°	118.4°
C15	C20	H20	120.3°	120.8°
N16	C17	N18	124.4°	121.7°
N16	C17	N21	120.7°	119.1°
N18	C17	N21	114.9°	119.2°
C17	N18	C19	116.9°	121.0°
C17	N21	HN21	109.5°	120.0°
C17	N21	HN2A	109.5°	120.0°
N18	C19	C20	122.4°	119.3°
C19	C20	H20	120.3°	120.8°
H1	C1	H1A	106.9°	110.4°
H8	C8	H8A	106.9°	109.9°
H12	C12	H12A	109.5°	109.5°
H12	C12	H12B	109.4°	109.5°
H12A	C12	H12B	109.5°	109.4°
H18	C18	H18A	109.5°	109.5°
H18	C18	H18B	109.5°	109.5°
H18A	C18	H18B	109.5°	109.5°
HN21	N21	HN2A	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C9	H1	120.0°	118.8°
N1	C1	C9	H1A	120.0°	118.9°
C1	N1	C5	C8	180.0°	120.8°
N1	C1	C9	O3	140.0°	155.1°
C1	N1	C5	C4	76.3°	156.5°
C1	N1	C5	C6	104.9°	23.6°
C1	N1	C8	C10	20.0°	1.0°
N1	C1	C9	C10	20.3°	37.1°
N1	C1	H1	H1A	122.8°	122.3°
C1	N1	C8	H8	100.0°	120.4°
C1	N1	C8	H8A	140.0°	118.5°
N1	C1	C9	H9	101.8°	81.1°
C9	C1	N1	C5	179.9°	146.4°
C9	C1	N1	C8	0.1°	24.1°
C1	C9	C10	O2	153.0°	154.0°
C1	C9	O3	C10	117.1°	112.3°
C1	C9	O3	H9	120.8°	123.9°
C1	C9	C10	C8	32.8°	35.7°
C1	C9	C10	H9	120.8°	118.2°
C9	C1	H1	H1A	122.8°	122.3°
C1	C9	O3	HO3	180.0°	61.5°
C1	C9	C10	H10	88.5°	82.7°
N1	C5	C4	C3	178.8°	180.0°
N1	C5	C4	C6	178.8°	179.9°
N1	C5	C6	C7	178.6°	179.7°
C5	N1	C8	C10	160.0°	123.2°
C5	N1	C1	H1	60.1°	27.5°
C5	N1	C1	H1A	59.8°	94.8°
N1	C5	C4	H4	1.2°	0.1°
N1	C5	C6	H6	1.4°	0.1°
C5	N1	C8	H8	80.0°	117.3°
C5	N1	C8	H8A	40.0°	3.8°
N1	C8	C10	O2	149.5°	140.7°
C8	N1	C5	C4	103.7°	35.6°
C8	N1	C5	C6	75.2°	144.5°
N1	C8	C10	H8	120.0°	119.5°
N1	C8	C10	H8A	120.0°	119.4°
N1	C8	C10	C9	31.4°	22.3°
C8	N1	C1	H1	119.9°	94.8°
C8	N1	C1	H1A	120.2°	142.9°
N1	C8	H8	H8A	122.9°	121.0°
N1	C8	C10	H10	91.8°	96.2°
O1	C2	C3	C7	179.8°	179.7°
O1	C2	C3	C4	179.7°	180.0°
O1	C2	C7	C6	179.8°	179.8°
O1	C2	C7	C15	0.2°	0.1°
O1	C2	C3	H3	0.3°	0.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C7	C6	0.0°	0.5°
C3	C2	C7	C15	179.9°	179.8°
C3	C2	O1	HO1	180.0°	90.0°
C2	C3	C4	H4	179.9°	180.0°
C7	C2	C3	C4	0.2°	0.2°
C2	C7	C6	C5	0.2°	0.6°
C2	C7	C6	C15	180.0°	179.7°
C2	C7	C15	N16	0.4°	46.8°
C2	C7	C15	C20	179.8°	133.0°
C7	C2	O1	HO1	0.2°	90.3°
C7	C2	C3	H3	179.9°	179.7°
C2	C7	C6	H6	179.9°	179.7°
O2	C10	C9	O3	86.0°	87.9°
O2	C10	C8	C9	118.2°	118.4°
O2	C10	C8	H10	118.6°	123.1°
O2	C10	C9	H10	118.5°	123.3°
O2	C10	C8	H8	29.6°	21.2°
O2	C10	C8	H8A	90.4°	99.9°
O2	C10	C9	H9	32.2°	35.8°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.1°	0.1°
O3	C9	C10	C8	153.8°	153.7°
O3	C9	C10	H9	118.2°	123.7°
O3	C9	C1	H1	20.0°	36.3°
O3	C9	C1	H1A	100.0°	86.0°
O3	C9	C10	H10	32.5°	35.4°
C4	C5	C6	C7	0.2°	0.3°
C5	C4	C3	H3	179.9°	179.9°
C4	C5	C6	H6	179.8°	180.0°
C5	C6	C7	H6	180.0°	179.7°
C5	C6	C7	C15	179.9°	179.8°
C6	C5	C4	H4	179.9°	180.0°
C6	C7	C15	N16	179.5°	133.5°
C6	C7	C15	C20	0.2°	46.7°
C7	C15	N16	C20	179.4°	179.9°
C7	C15	N16	C17	179.3°	180.0°
C7	C15	C20	C19	179.3°	179.7°
C15	C7	C6	H6	0.1°	0.1°
C7	C15	C20	H20	0.7°	0.1°
C8	C10	C9	H10	121.3°	118.4°
C8	C10	O2	HO2	180.0°	61.5°
C10	C8	H8	H8A	122.9°	121.1°
C8	C10	C9	H9	88.0°	82.5°
C10	C9	C1	H1	99.8°	81.8°
C10	C9	C1	H1A	140.3°	155.9°
C9	C10	O2	HO2	65.0°	175.1°
C10	C9	O3	HO3	62.9°	173.8°
C9	C10	C8	H8	88.6°	97.2°
C9	C10	C8	H8A	151.4°	141.7°
C12	C11	C18	C19	123.5°	120.0°
C12	C11	C18	H11	117.9°	120.0°
C12	C11	C19	H11	117.9°	120.0°
C12	C11	C19	N18	174.8°	95.0°
C12	C11	C19	C20	4.4°	84.7°
C11	C12	H12	H12A	120.0°	120.0°
C11	C12	H12	H12B	120.0°	120.0°
C11	C12	H12A	H12B	120.0°	120.0°
C12	C11	C18	H18	180.0°	60.0°
C12	C11	C18	H18A	60.0°	180.0°
C12	C11	C18	H18B	60.0°	60.0°
C18	C11	C19	H11	118.7°	120.0°
C18	C11	C19	N18	61.8°	145.0°
C18	C11	C19	C20	118.9°	35.2°
C18	C11	C12	H12	180.0°	60.0°
C18	C11	C12	H12A	60.0°	180.0°
C18	C11	C12	H12B	60.0°	60.0°
C11	C18	H18	H18A	120.0°	120.0°
C11	C18	H18	H18B	120.0°	120.0°
C11	C18	H18A	H18B	120.0°	119.9°
C11	C19	C20	C15	179.2°	179.7°
C11	C19	N18	C17	179.3°	180.0°
C11	C19	N18	C20	179.3°	179.8°
C19	C11	C12	H12	57.1°	180.0°
C19	C11	C12	H12A	177.1°	60.0°
C19	C11	C12	H12B	62.9°	60.0°
C19	C11	C18	H18	56.5°	60.0°
C19	C11	C18	H18A	63.5°	60.1°
C19	C11	C18	H18B	176.5°	180.0°
C11	C19	C20	H20	0.8°	0.1°
C15	N16	C17	N18	0.0°	0.1°
C15	N16	C17	N21	179.4°	180.0°
N16	C15	C20	C19	0.1°	0.5°
N16	C15	C20	H20	179.9°	179.7°
C20	C15	N16	C17	0.1°	0.2°
C15	C20	C19	N18	0.0°	0.5°
C15	C20	C19	H20	180.0°	179.8°
N16	C17	N18	N21	179.5°	180.0°
N16	C17	N18	C19	0.0°	0.0°
N16	C17	N21	HN21	0.0°	0.0°
N16	C17	N21	HN2A	120.0°	179.9°
C17	N18	C19	C20	0.1°	0.3°
N18	C17	N21	HN21	179.5°	180.0°
N18	C17	N21	HN2A	60.5°	0.1°
N21	C17	N18	C19	179.5°	180.0°
C17	N21	HN21	HN2A	120.0°	179.9°
N18	C19	C11	H11	56.9°	25.0°
N18	C19	C20	H20	180.0°	179.7°
C20	C19	C11	H11	122.4°	155.2°
H1	C1	C9	H9	138.2°	160.1°
H1A	C1	C9	H9	18.3°	37.8°
HO2	O2	C10	H10	58.4°	61.6°
H3	C3	C4	H4	0.1°	0.0°
HO3	O3	C9	H9	59.2°	62.4°
H8	C8	C10	H10	148.2°	144.3°
H8A	C8	C10	H10	28.2°	23.2°
H9	C9	C10	H10	150.7°	159.1°
H11	C11	C12	H12	61.4°	60.0°
H11	C11	C12	H12A	58.7°	60.0°
H11	C11	C12	H12B	178.7°	180.0°
H11	C11	C18	H18	62.1°	180.0°
H11	C11	C18	H18A	177.9°	60.0°
H11	C11	C18	H18B	57.9°	60.0°
H12	C12	H12A	H12B	120.0°	120.0°
H18	C18	H18A	H18B	120.0°	120.0°

Definition date:	2011-05-23
Last modified:	2011-07-15
Release status:	REL
Processing site:	PDBJ
Derived from:	3S2P