VB1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C32	C33	sing	1.53Å	1.54Å
C33	CAV	sing	1.53Å	1.55Å
CAV	C31	sing	1.51Å	1.57Å
CAV	N29	sing	1.46Å	1.46Å
C31	O43	sing	1.34Å	1.27Å
C31	O42	doub	1.21Å	1.27Å
N29	C13	sing	1.35Å	1.35Å
C13	O18	doub	1.21Å	1.22Å
C13	C12	sing	1.51Å	1.50Å
C12	C16	sing	1.53Å	1.54Å
C12	N11	sing	1.46Å	1.50Å
C16	S17	sing	1.81Å	1.85Å
N11	C10	sing	1.35Å	1.30Å
C10	O15	doub	1.21Å	1.23Å
C10	C7	sing	1.51Å	1.52Å
C7	C4	sing	1.53Å	1.53Å
C4	C3	sing	1.53Å	1.54Å
C3	C2	sing	1.53Å	1.55Å
C2	C1	sing	1.51Å	1.55Å
C2	N14	sing	1.47Å	1.49Å
C1	O20	doub	1.21Å	1.26Å
C1	O19	sing	1.34Å	1.26Å
C32	H321	sing	1.09Å	1.10Å
C32	H322	sing	1.09Å	1.10Å
C32	H323	sing	1.09Å	1.10Å
C33	H331	sing	1.09Å	1.10Å
C33	H332	sing	1.09Å	1.10Å
CAV	HAV	sing	1.09Å	1.10Å
N29	H29	sing	0.97Å	1.00Å
O43	H43	sing	0.97Å	0.95Å
C12	H12	sing	1.09Å	1.10Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
N11	H11	sing	0.97Å	1.00Å
S17	H17	sing	1.34Å	1.30Å
C7	H7C1	sing	1.09Å	1.10Å
C7	H7C2	sing	1.09Å	1.10Å
C4	H4C1	sing	1.09Å	1.10Å
C4	H4C2	sing	1.09Å	1.10Å
C3	H3C1	sing	1.09Å	1.10Å
C3	H3C2	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
N14	H141	sing	1.01Å	1.00Å
N14	H142	sing	1.01Å	1.00Å
O19	H19	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C32	C33	CAV	113.0°	109.5°
C33	C32	H321	109.5°	109.5°
C33	C32	H322	109.4°	109.5°
C33	C32	H323	109.5°	109.5°
C32	C33	H331	108.3°	109.5°
C32	C33	H332	107.5°	109.5°
C33	CAV	C31	117.3°	109.5°
C33	CAV	N29	110.8°	109.5°
CAV	C33	H331	108.3°	109.5°
CAV	C33	H332	107.5°	109.5°
C33	CAV	HAV	102.7°	109.5°
C31	CAV	N29	109.3°	109.5°
CAV	C31	O43	115.3°	120.0°
CAV	C31	O42	119.9°	120.0°
C31	CAV	HAV	104.5°	109.5°
CAV	N29	C13	120.9°	120.0°
N29	CAV	HAV	111.9°	109.5°
CAV	N29	H29	119.6°	120.0°
O43	C31	O42	124.7°	120.0°
C31	O43	H43	109.5°	117.0°
N29	C13	O18	123.2°	120.0°
N29	C13	C12	114.1°	120.0°
C13	N29	H29	119.6°	120.0°
O18	C13	C12	122.6°	120.0°
C13	C12	C16	107.4°	109.5°
C13	C12	N11	109.9°	109.4°
C13	C12	H12	110.2°	109.5°
C16	C12	N11	108.4°	109.5°
C12	C16	S17	114.1°	109.4°
C16	C12	H12	111.6°	109.5°
C12	C16	H161	108.0°	109.5°
C12	C16	H162	106.9°	109.5°
C12	N11	C10	119.8°	120.0°
N11	C12	H12	109.2°	109.5°
C12	N11	H11	120.1°	120.0°
S17	C16	H161	107.9°	109.5°
S17	C16	H162	106.9°	109.5°
C16	S17	H17	109.5°	103.0°
N11	C10	O15	120.2°	120.0°
N11	C10	C7	114.9°	120.0°
C10	N11	H11	120.1°	120.0°
O15	C10	C7	124.9°	120.0°
C10	C7	C4	109.6°	109.5°
C10	C7	H7C1	109.5°	109.5°
C10	C7	H7C2	109.4°	109.5°
C7	C4	C3	105.8°	109.5°
C4	C7	H7C1	109.4°	109.4°
C4	C7	H7C2	109.4°	109.4°
C7	C4	H4C1	110.7°	109.4°
C7	C4	H4C2	111.5°	109.4°
C4	C3	C2	110.2°	109.5°
C3	C4	H4C1	110.7°	109.5°
C3	C4	H4C2	111.5°	109.5°
C4	C3	H3C1	109.2°	109.4°
C4	C3	H3C2	109.1°	109.5°
C3	C2	C1	100.6°	109.5°
C3	C2	N14	112.0°	109.5°
C2	C3	H3C1	109.2°	109.5°
C2	C3	H3C2	109.1°	109.5°
C3	C2	H2	114.1°	109.5°
C1	C2	N14	110.9°	109.5°
C2	C1	O20	118.6°	120.0°
C2	C1	O19	113.3°	120.0°
C1	C2	H2	115.2°	109.4°
N14	C2	H2	104.4°	109.5°
C2	N14	H141	109.5°	111.0°
C2	N14	H142	109.4°	111.0°
O20	C1	O19	128.1°	120.0°
C1	O19	H19	109.5°	117.0°
H321	C32	H322	109.5°	109.5°
H321	C32	H323	109.5°	109.5°
H322	C32	H323	109.5°	109.5°
H331	C33	H332	112.3°	109.5°
H161	C16	H162	113.2°	109.5°
H7C1	C7	H7C2	109.5°	109.5°
H4C1	C4	H4C2	106.7°	109.4°
H3C1	C3	H3C2	110.0°	109.5°
H141	N14	H142	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C32	C33	CAV	H331	120.0°	120.0°
C32	C33	CAV	H332	118.5°	120.0°
C32	C33	CAV	C31	160.2°	175.0°
C32	C33	CAV	N29	73.4°	65.0°
C33	C32	H321	H322	120.0°	120.0°
C33	C32	H321	H323	120.0°	120.0°
C33	C32	H322	H323	120.0°	120.0°
C32	C33	H331	H332	118.6°	120.0°
C32	C33	CAV	HAV	46.3°	55.0°
C33	CAV	C31	N29	127.1°	120.0°
C33	CAV	C31	HAV	112.9°	120.0°
C33	CAV	N29	HAV	114.0°	120.0°
C33	CAV	C31	O43	131.6°	60.0°
C33	CAV	C31	O42	52.1°	120.0°
C33	CAV	N29	C13	116.7°	155.0°
CAV	C33	C32	H321	169.4°	60.0°
CAV	C33	C32	H322	70.7°	180.0°
CAV	C33	C32	H323	49.4°	60.0°
CAV	C33	H331	H332	118.5°	120.0°
C33	CAV	N29	H29	63.2°	25.0°
C31	CAV	N29	HAV	115.3°	120.0°
CAV	C31	O43	O42	176.1°	179.9°
C31	CAV	N29	C13	112.5°	85.0°
C31	CAV	C33	H331	40.2°	65.0°
C31	CAV	C33	H332	81.3°	55.0°
C31	CAV	N29	H29	67.5°	95.0°
CAV	C31	O43	H43	176.1°	180.0°
N29	CAV	C31	O43	4.5°	180.0°
N29	CAV	C31	O42	179.3°	0.0°
CAV	N29	C13	H29	180.0°	180.0°
CAV	N29	C13	O18	0.4°	0.0°
CAV	N29	C13	C12	179.5°	180.0°
N29	CAV	C33	H331	166.6°	55.0°
N29	CAV	C33	H332	45.1°	175.0°
O43	C31	CAV	HAV	115.4°	60.0°
O42	C31	CAV	HAV	60.8°	120.0°
O42	C31	O43	H43	0.0°	0.0°
N29	C13	O18	C12	179.1°	179.9°
N29	C13	C12	C16	62.7°	60.0°
N29	C13	C12	N11	179.5°	180.0°
C13	N29	CAV	HAV	2.7°	35.0°
N29	C13	C12	H12	59.1°	60.0°
O18	C13	C12	C16	116.4°	119.9°
O18	C13	C12	N11	1.4°	0.0°
O18	C13	N29	H29	179.7°	179.9°
O18	C13	C12	H12	121.8°	120.1°
C13	C12	C16	N11	118.7°	119.9°
C13	C12	C16	H12	121.0°	120.0°
C13	C12	N11	H12	121.0°	120.0°
C13	C12	C16	S17	70.6°	180.0°
C13	C12	N11	C10	84.9°	155.0°
C12	C13	N29	H29	0.5°	0.0°
C13	C12	C16	H161	49.4°	60.0°
C13	C12	C16	H162	171.5°	60.0°
C13	C12	N11	H11	95.1°	25.0°
C16	C12	N11	H12	121.8°	120.0°
C12	C16	S17	H161	120.0°	120.0°
C12	C16	S17	H162	117.9°	120.0°
C16	C12	N11	C10	158.0°	85.0°
C12	C16	H161	H162	118.1°	120.0°
C16	C12	N11	H11	22.0°	95.0°
C12	C16	S17	H17	10.5°	180.0°
N11	C12	C16	S17	48.1°	60.1°
C12	N11	C10	H11	180.0°	180.0°
C12	N11	C10	O15	3.9°	0.1°
C12	N11	C10	C7	178.3°	179.9°
N11	C12	C16	H161	168.1°	59.9°
N11	C12	C16	H162	69.8°	180.0°
S17	C16	C12	H12	168.4°	60.0°
S17	C16	H161	H162	118.1°	120.0°
N11	C10	O15	C7	177.5°	179.9°
N11	C10	C7	C4	119.6°	180.0°
C10	N11	C12	H12	36.1°	35.0°
N11	C10	C7	H7C1	0.4°	60.1°
N11	C10	C7	H7C2	120.4°	60.0°
O15	C10	C7	C4	58.0°	0.1°
O15	C10	N11	H11	176.1°	180.0°
O15	C10	C7	H7C1	178.1°	120.0°
O15	C10	C7	H7C2	61.9°	119.9°
C10	C7	C4	H7C1	120.0°	120.0°
C10	C7	C4	H7C2	120.0°	120.1°
C10	C7	C4	C3	176.8°	180.0°
C7	C10	N11	H11	1.7°	0.1°
C10	C7	H7C1	H7C2	120.0°	120.1°
C10	C7	C4	H4C1	56.8°	60.0°
C10	C7	C4	H4C2	61.8°	59.9°
C7	C4	C3	H4C1	120.0°	120.0°
C7	C4	C3	H4C2	121.4°	120.0°
C7	C4	C3	C2	179.9°	180.0°
C4	C7	H7C1	H7C2	119.9°	119.9°
C7	C4	H4C1	H4C2	121.5°	119.9°
C7	C4	C3	H3C1	59.9°	60.0°
C7	C4	C3	H3C2	60.4°	60.0°
C4	C3	C2	H3C1	120.0°	120.0°
C4	C3	C2	H3C2	119.7°	120.0°
C4	C3	C2	C1	176.0°	175.0°
C4	C3	C2	N14	58.2°	65.0°
C3	C4	C7	H7C1	63.2°	60.0°
C3	C4	C7	H7C2	56.8°	60.0°
C3	C4	H4C1	H4C2	121.5°	120.0°
C4	C3	H3C1	H3C2	119.7°	120.0°
C4	C3	C2	H2	60.1°	55.1°
C3	C2	C1	N14	118.6°	120.1°
C3	C2	C1	H2	123.2°	120.0°
C3	C2	N14	H2	123.9°	120.1°
C3	C2	C1	O20	70.0°	100.0°
C3	C2	C1	O19	112.6°	79.7°
C2	C3	C4	H4C1	60.1°	60.0°
C2	C3	C4	H4C2	58.5°	60.0°
C2	C3	H3C1	H3C2	119.7°	120.1°
C3	C2	N14	H141	119.2°	60.0°
C3	C2	N14	H142	120.7°	64.0°
C1	C2	N14	H2	124.6°	119.9°
C2	C1	O20	O19	177.0°	179.7°
C1	C2	C3	H3C1	64.0°	65.1°
C1	C2	C3	H3C2	56.3°	55.0°
C1	C2	N14	H141	129.3°	60.0°
C1	C2	N14	H142	9.3°	176.0°
C2	C1	O19	H19	177.1°	179.7°
N14	C2	C1	O20	171.4°	20.1°
N14	C2	C1	O19	5.9°	160.2°
N14	C2	C3	H3C1	178.2°	55.0°
N14	C2	C3	H3C2	61.5°	175.0°
C2	N14	H141	H142	120.0°	123.9°
O20	C1	C2	H2	53.2°	140.0°
O20	C1	O19	H19	0.0°	0.0°
O19	C1	C2	H2	124.2°	40.3°
H321	C32	H322	H323	120.0°	120.0°
H321	C32	C33	H331	70.7°	60.0°
H321	C32	C33	H332	50.9°	180.0°
H322	C32	C33	H331	49.3°	60.0°
H322	C32	C33	H332	170.9°	60.0°
H323	C32	C33	H331	169.3°	180.0°
H323	C32	C33	H332	69.1°	60.0°
H331	C33	CAV	HAV	73.7°	175.0°
H332	C33	CAV	HAV	164.7°	65.0°
HAV	CAV	N29	H29	177.2°	145.0°
H12	C12	C16	H161	71.6°	NaN°
H12	C12	C16	H162	50.5°	60.0°
H12	C12	N11	H11	143.8°	145.0°
H161	C16	S17	H17	130.6°	60.0°
H162	C16	S17	H17	107.4°	60.0°
H7C1	C7	C4	H4C1	176.8°	180.0°
H7C1	C7	C4	H4C2	58.2°	60.0°
H7C2	C7	C4	H4C1	63.2°	60.1°
H7C2	C7	C4	H4C2	178.2°	180.0°
H4C1	C4	C3	H3C1	179.9°	180.0°
H4C1	C4	C3	H3C2	59.6°	60.0°
H4C2	C4	C3	H3C1	61.5°	60.0°
H4C2	C4	C3	H3C2	178.3°	180.0°
H3C1	C3	C2	H2	59.9°	175.0°
H3C2	C3	C2	H2	179.8°	65.0°
H2	C2	N14	H141	4.7°	180.0°
H2	C2	N14	H142	115.3°	56.1°

Definition date:	2007-09-14
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	2VBP