VAP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C6	doub	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.40Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C7	C2	sing	1.46Å	1.51Å
C2	C3	doub	1.41Å	1.41Å	Aromatic
C3	C4	sing	1.39Å	1.41Å	Aromatic
C3	N10	sing	1.38Å	1.41Å
C5	C4	doub	1.39Å	1.39Å	Aromatic
C4	O13	sing	1.36Å	1.41Å
C6	C5	sing	1.40Å	1.38Å	Aromatic
C5	O14	sing	1.36Å	1.37Å
O15	C6	sing	1.36Å	1.35Å
C16	C7	sing	1.51Å	1.52Å
C7	C8	doub	1.36Å	1.39Å
C8	C9	sing	1.41Å	1.40Å
C8	H8	sing	1.08Å	1.08Å
C9	N10	sing	1.34Å	1.41Å
C9	O11	doub	1.22Å	1.26Å
N10	C12	sing	1.46Å	1.48Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C12	H12B	sing	1.09Å	1.10Å
O13	C19	sing	1.43Å	1.43Å
C18	O14	sing	1.43Å	1.41Å
C17	O15	sing	1.43Å	1.42Å
C16	H16	sing	1.09Å	1.10Å
C16	H16A	sing	1.09Å	1.10Å
C16	H16B	sing	1.09Å	1.10Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C17	H17B	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
C19	H19	sing	1.09Å	1.10Å
C19	H19A	sing	1.09Å	1.10Å
C19	H19B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C1	C2	119.3°	119.8°
C6	C1	H1	120.4°	120.1°
C1	C6	C5	122.1°	120.3°
C1	C6	O15	117.9°	119.9°
C2	C1	H1	120.3°	120.1°
C1	C2	C7	120.7°	121.0°
C1	C2	C3	118.7°	120.0°
C7	C2	C3	120.5°	119.0°
C2	C7	C16	123.5°	120.7°
C2	C7	C8	118.6°	118.6°
C2	C3	C4	121.6°	119.6°
C2	C3	N10	118.1°	119.6°
C4	C3	N10	120.3°	120.9°
C3	C4	C5	118.0°	119.9°
C3	C4	O13	119.6°	120.1°
C3	N10	C9	121.0°	121.0°
C3	N10	C12	121.9°	119.5°
C5	C4	O13	122.4°	120.1°
C4	C5	C6	120.2°	120.5°
C4	C5	O14	117.8°	119.7°
C4	O13	C19	131.6°	117.0°
C6	C5	O14	122.0°	119.8°
C5	C6	O15	119.9°	119.8°
C5	O14	C18	125.0°	117.0°
C6	O15	C17	122.3°	117.0°
C16	C7	C8	117.9°	120.7°
C7	C16	H16	109.5°	109.5°
C7	C16	H16A	109.4°	109.4°
C7	C16	H16B	109.4°	109.5°
C7	C8	C9	119.1°	120.2°
C7	C8	H8	120.4°	119.9°
C9	C8	H8	120.4°	119.9°
C8	C9	N10	122.2°	121.7°
C8	C9	O11	120.0°	119.1°
N10	C9	O11	117.6°	119.2°
C9	N10	C12	116.8°	119.5°
N10	C12	H12	109.5°	109.4°
N10	C12	H12A	109.4°	109.5°
N10	C12	H12B	109.5°	109.5°
H12	C12	H12A	109.5°	109.5°
H12	C12	H12B	109.4°	109.4°
H12A	C12	H12B	109.5°	109.4°
O13	C19	H19	109.5°	109.5°
O13	C19	H19A	109.5°	109.5°
O13	C19	H19B	109.5°	109.5°
O14	C18	H18	109.5°	109.5°
O14	C18	H18A	109.5°	109.5°
O14	C18	H18B	109.5°	109.5°
O15	C17	H17	109.5°	109.5°
O15	C17	H17A	109.4°	109.5°
O15	C17	H17B	109.5°	109.5°
H16	C16	H16A	109.4°	109.5°
H16	C16	H16B	109.5°	109.5°
H16A	C16	H16B	109.5°	109.4°
H17	C17	H17A	109.4°	109.5°
H17	C17	H17B	109.5°	109.4°
H17A	C17	H17B	109.5°	109.4°
H18	C18	H18A	109.5°	109.5°
H18	C18	H18B	109.4°	109.5°
H18A	C18	H18B	109.5°	109.4°
H19	C19	H19A	109.5°	109.4°
H19	C19	H19B	109.4°	109.4°
H19A	C19	H19B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C1	C2	H1	180.0°	179.6°
C6	C1	C2	C7	179.2°	180.0°
C6	C1	C2	C3	0.0°	0.1°
C1	C6	C5	C4	0.2°	0.1°
C1	C6	C5	O15	179.9°	180.0°
C1	C6	C5	O14	178.5°	180.0°
C1	C6	O15	C17	10.0°	0.0°
C1	C2	C7	C3	179.2°	179.9°
C1	C2	C3	C4	1.1°	0.1°
C1	C2	C3	N10	177.7°	179.9°
C2	C1	C6	C5	0.6°	0.0°
C2	C1	C6	O15	179.5°	180.0°
C1	C2	C7	C16	0.7°	0.1°
C1	C2	C7	C8	179.9°	179.9°
H1	C1	C2	C7	0.8°	0.4°
H1	C1	C2	C3	180.0°	179.7°
H1	C1	C6	C5	179.4°	179.7°
H1	C1	C6	O15	0.5°	0.3°
C7	C2	C3	C4	178.2°	180.0°
C7	C2	C3	N10	3.1°	0.0°
C2	C7	C16	C8	179.4°	180.0°
C2	C7	C8	C9	1.8°	0.0°
C2	C7	C8	H8	178.3°	180.0°
C2	C7	C16	H16	180.0°	90.0°
C2	C7	C16	H16A	60.0°	150.0°
C2	C7	C16	H16B	60.0°	30.1°
C2	C3	C4	N10	178.7°	180.0°
C2	C3	C4	C5	1.4°	0.0°
C2	C3	C4	O13	177.1°	180.0°
C3	C2	C7	C16	178.5°	180.0°
C3	C2	C7	C8	0.9°	0.1°
C2	C3	N10	C9	6.4°	0.0°
C2	C3	N10	C12	179.1°	179.9°
C3	C4	C5	O13	178.4°	180.0°
C3	C4	C5	C6	0.8°	0.1°
C3	C4	C5	O14	179.5°	180.0°
C4	C3	N10	C9	174.9°	180.0°
C4	C3	N10	C12	0.4°	0.1°
C3	C4	O13	C19	141.5°	96.7°
N10	C3	C4	C5	177.3°	180.0°
N10	C3	C4	O13	4.2°	0.0°
C3	N10	C9	C8	7.6°	0.0°
C3	N10	C9	C12	174.8°	179.9°
C3	N10	C9	O11	177.6°	180.0°
C3	N10	C12	H12	180.0°	83.8°
C3	N10	C12	H12A	60.0°	156.2°
C3	N10	C12	H12B	60.0°	36.2°
C4	C5	C6	O14	178.7°	179.9°
C4	C5	C6	O15	179.9°	180.0°
C5	C4	O13	C19	40.1°	83.3°
C4	C5	O14	C18	116.5°	94.9°
O13	C4	C5	C6	177.7°	179.9°
O13	C4	C5	O14	1.1°	0.0°
C4	O13	C19	H19	180.0°	174.8°
C4	O13	C19	H19A	60.0°	65.3°
C4	O13	C19	H19B	60.0°	54.8°
C6	C5	O14	C18	64.8°	85.2°
C5	C6	O15	C17	170.1°	179.9°
O14	C5	C6	O15	1.4°	0.1°
C5	O14	C18	H18	180.0°	65.0°
C5	O14	C18	H18A	60.0°	175.0°
C5	O14	C18	H18B	60.0°	55.0°
C6	O15	C17	H17	180.0°	60.0°
C6	O15	C17	H17A	60.0°	60.0°
C6	O15	C17	H17B	60.0°	180.0°
C16	C7	C8	C9	177.7°	180.0°
C16	C7	C8	H8	2.3°	0.0°
C7	C16	H16	H16A	120.0°	120.0°
C7	C16	H16	H16B	120.0°	120.0°
C7	C16	H16A	H16B	120.0°	119.9°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	N10	5.1°	0.0°
C7	C8	C9	O11	179.8°	180.0°
C8	C7	C16	H16	0.6°	90.0°
C8	C7	C16	H16A	120.6°	30.0°
C8	C7	C16	H16B	119.4°	149.9°
C8	C9	N10	O11	174.9°	180.0°
C8	C9	N10	C12	177.7°	179.9°
H8	C8	C9	N10	174.9°	180.0°
H8	C8	C9	O11	0.2°	0.1°
C9	N10	C12	H12	5.3°	96.2°
C9	N10	C12	H12A	114.7°	23.8°
C9	N10	C12	H12B	125.3°	143.8°
O11	C9	N10	C12	2.8°	0.1°
N10	C12	H12	H12A	120.0°	120.0°
N10	C12	H12	H12B	120.0°	120.0°
N10	C12	H12A	H12B	120.0°	120.1°
H12	C12	H12A	H12B	120.0°	119.9°
O13	C19	H19	H19A	120.0°	120.0°
O13	C19	H19	H19B	120.0°	120.0°
O13	C19	H19A	H19B	120.0°	120.1°
O14	C18	H18	H18A	120.0°	120.0°
O14	C18	H18	H18B	120.0°	120.0°
O14	C18	H18A	H18B	120.0°	120.0°
O15	C17	H17	H17A	120.0°	120.0°
O15	C17	H17	H17B	120.0°	120.1°
O15	C17	H17A	H17B	120.0°	120.0°
H16	C16	H16A	H16B	120.0°	120.1°
H17	C17	H17A	H17B	120.0°	119.9°
H18	C18	H18A	H18B	120.0°	119.9°
H19	C19	H19A	H19B	120.0°	119.9°

Definition date:	2010-06-29
Last modified:	2012-01-06
Release status:	REL
Processing site:	RCSB
Derived from:	3NHK