VX1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.38Å	1.38Å
C2	N3	doub	1.33Å	1.35Å	Aromatic
C2	N7	sing	1.32Å	1.34Å	Aromatic
N3	C4	sing	1.32Å	1.35Å	Aromatic
C4	C5	doub	1.38Å	1.40Å	Aromatic
C5	C6	sing	1.40Å	1.43Å	Aromatic
C6	N7	doub	1.33Å	1.36Å	Aromatic
C6	C8	sing	1.48Å	1.51Å	Aromatic
C8	C9	sing	1.41Å	1.44Å	Aromatic
C8	C23	doub	1.38Å	1.42Å	Aromatic
C9	C10	doub	1.35Å	1.38Å	Aromatic
C10	C11	sing	1.41Å	1.44Å	Aromatic
C11	N12	doub	1.31Å	1.31Å	Aromatic
C11	C22	sing	1.48Å	1.50Å	Aromatic
N12	O13	sing	1.21Å	1.21Å	Aromatic
O13	C14	sing	1.34Å	1.35Å	Aromatic
C14	C15	sing	1.47Å	1.50Å	Aromatic
C14	C22	doub	1.40Å	1.42Å	Aromatic
C15	C16	doub	1.40Å	1.44Å	Aromatic
C15	C21	sing	1.40Å	1.43Å	Aromatic
C16	C17	sing	1.38Å	1.41Å	Aromatic
C17	C18	doub	1.38Å	1.41Å	Aromatic
C18	CL19	sing	1.74Å	1.73Å
C18	C20	sing	1.39Å	1.41Å	Aromatic
C20	C21	doub	1.38Å	1.40Å	Aromatic
C22	C23	sing	1.40Å	1.43Å	Aromatic
N1	HN1	sing	0.97Å	1.00Å
N1	HN1A	sing	0.97Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	N3	119.5°	119.1°
N1	C2	N7	119.6°	119.2°
C2	N1	HN1	109.5°	120.0°
C2	N1	HN1A	109.5°	120.0°
N3	C2	N7	120.9°	121.7°
C2	N3	C4	121.3°	121.0°
C2	N7	C6	121.5°	120.6°
N3	C4	C5	119.9°	119.3°
N3	C4	H4	120.0°	120.3°
C4	C5	C6	117.8°	118.4°
C5	C4	H4	120.1°	120.4°
C4	C5	H5	121.1°	120.8°
C5	C6	N7	118.6°	118.9°
C5	C6	C8	121.7°	120.5°
C6	C5	H5	121.1°	120.7°
N7	C6	C8	119.7°	120.5°
C6	C8	C9	120.7°	119.4°
C6	C8	C23	119.0°	119.4°
C9	C8	C23	120.3°	121.2°
C8	C9	C10	121.8°	121.8°
C8	C9	H9	119.1°	119.1°
C8	C23	C22	120.1°	119.2°
C8	C23	H23	120.0°	120.4°
C9	C10	C11	120.1°	119.8°
C10	C9	H9	119.1°	119.1°
C9	C10	H10	119.9°	120.1°
C10	C11	N12	136.1°	136.3°
C10	C11	C22	118.8°	118.6°
C11	C10	H10	120.0°	120.1°
N12	C11	C22	105.1°	105.1°
C11	N12	O13	112.9°	112.5°
C11	C22	C14	102.4°	103.0°
C11	C22	C23	118.8°	119.4°
N12	O13	C14	114.5°	113.6°
O13	C14	C15	124.8°	127.1°
O13	C14	C22	105.0°	105.7°
C15	C14	C22	130.2°	127.1°
C14	C15	C16	122.7°	120.1°
C14	C15	C21	118.4°	120.1°
C14	C22	C23	138.8°	137.6°
C16	C15	C21	118.9°	119.7°
C15	C16	C17	119.9°	119.8°
C15	C16	H16	120.0°	120.1°
C15	C21	C20	120.4°	119.8°
C15	C21	H21	119.8°	120.1°
C16	C17	C18	120.0°	120.2°
C17	C16	H16	120.1°	120.1°
C16	C17	H17	120.0°	119.8°
C17	C18	CL19	119.9°	119.9°
C17	C18	C20	120.4°	120.3°
C18	C17	H17	120.0°	120.0°
CL19	C18	C20	119.7°	119.8°
C18	C20	C21	120.3°	120.1°
C18	C20	H20	119.9°	119.9°
C21	C20	H20	119.8°	120.0°
C20	C21	H21	119.8°	120.0°
C22	C23	H23	119.9°	120.4°
HN1	N1	HN1A	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N3	N7	179.8°	179.7°
N1	C2	N3	C4	180.0°	180.0°
N1	C2	N7	C6	179.9°	179.8°
C2	N1	HN1	HN1A	120.0°	179.6°
C2	N3	C4	C5	0.1°	0.0°
N3	C2	N7	C6	0.3°	0.6°
N3	C2	N1	HN1	175.9°	0.1°
N3	C2	N1	HN1A	64.1°	179.7°
C2	N3	C4	H4	179.9°	180.0°
N7	C2	N3	C4	0.2°	0.3°
C2	N7	C6	C5	0.2°	0.6°
C2	N7	C6	C8	180.0°	179.7°
N7	C2	N1	HN1	3.9°	179.8°
N7	C2	N1	HN1A	116.1°	0.6°
N3	C4	C5	H4	180.0°	180.0°
N3	C4	C5	C6	0.0°	0.0°
N3	C4	C5	H5	180.0°	180.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	N7	0.0°	0.3°
C4	C5	C6	C8	179.9°	180.0°
C5	C6	N7	C8	179.8°	179.7°
C5	C6	C8	C9	21.4°	5.0°
C5	C6	C8	C23	158.8°	175.3°
C6	C5	C4	H4	180.0°	180.0°
N7	C6	C8	C9	158.5°	174.7°
N7	C6	C8	C23	21.4°	5.0°
N7	C6	C5	H5	180.0°	179.7°
C6	C8	C9	C23	179.8°	179.7°
C6	C8	C9	C10	179.9°	180.0°
C6	C8	C23	C22	179.9°	179.8°
C8	C6	C5	H5	0.1°	0.0°
C6	C8	C9	H9	0.0°	0.0°
C6	C8	C23	H23	0.1°	0.0°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	C11	0.0°	0.0°
C9	C8	C23	C22	0.1°	0.5°
C8	C9	C10	H10	180.0°	180.0°
C9	C8	C23	H23	179.9°	179.7°
C23	C8	C9	C10	0.1°	0.3°
C8	C23	C22	C11	0.0°	0.5°
C8	C23	C22	C14	179.9°	179.9°
C8	C23	C22	H23	180.0°	179.8°
C23	C8	C9	H9	179.9°	179.7°
C9	C10	C11	H10	180.0°	180.0°
C9	C10	C11	N12	179.9°	180.0°
C9	C10	C11	C22	0.0°	0.0°
C10	C11	N12	C22	180.0°	180.0°
C10	C11	N12	O13	180.0°	180.0°
C10	C11	C22	C14	179.9°	180.0°
C10	C11	C22	C23	0.0°	0.2°
C11	C10	C9	H9	179.9°	180.0°
C11	N12	O13	C14	0.1°	0.0°
N12	C11	C22	C14	0.1°	0.0°
N12	C11	C22	C23	180.0°	179.8°
N12	C11	C10	H10	0.0°	0.0°
C22	C11	N12	O13	0.0°	0.0°
C11	C22	C14	O13	0.1°	0.0°
C11	C22	C14	C15	179.9°	180.0°
C11	C22	C14	C23	179.9°	179.7°
C22	C11	C10	H10	180.0°	180.0°
C11	C22	C23	H23	180.0°	179.7°
N12	O13	C14	C15	179.9°	180.0°
N12	O13	C14	C22	0.1°	0.0°
O13	C14	C15	C22	179.9°	180.0°
O13	C14	C15	C16	175.1°	46.4°
O13	C14	C15	C21	4.9°	133.3°
O13	C14	C22	C23	180.0°	179.7°
C14	C15	C16	C21	180.0°	179.7°
C14	C15	C16	C17	180.0°	180.0°
C14	C15	C21	C20	180.0°	179.7°
C15	C14	C22	C23	0.1°	0.3°
C14	C15	C16	H16	0.0°	0.0°
C14	C15	C21	H21	0.0°	0.0°
C22	C14	C15	C16	4.9°	133.6°
C22	C14	C15	C21	175.2°	46.6°
C14	C22	C23	H23	0.1°	0.1°
C15	C16	C17	H16	180.0°	180.0°
C15	C16	C17	C18	0.1°	0.1°
C16	C15	C21	C20	0.0°	0.5°
C15	C16	C17	H17	179.9°	180.0°
C16	C15	C21	H21	180.0°	179.8°
C21	C15	C16	C17	0.1°	0.2°
C15	C21	C20	C18	0.1°	0.5°
C15	C21	C20	H21	180.0°	179.7°
C21	C15	C16	H16	180.0°	179.8°
C15	C21	C20	H20	180.0°	179.7°
C16	C17	C18	H17	180.0°	179.9°
C16	C17	C18	CL19	180.0°	179.9°
C16	C17	C18	C20	0.1°	0.1°
C17	C18	CL19	C20	179.9°	180.0°
C17	C18	C20	C21	0.1°	0.2°
C18	C17	C16	H16	179.9°	179.9°
C17	C18	C20	H20	179.9°	180.0°
CL19	C18	C20	C21	180.0°	179.8°
CL19	C18	C17	H17	0.0°	0.0°
CL19	C18	C20	H20	0.0°	0.0°
C18	C20	C21	H20	180.0°	179.8°
C20	C18	C17	H17	179.9°	180.0°
C18	C20	C21	H21	179.9°	179.8°
H4	C4	C5	H5	0.0°	0.0°
H9	C9	C10	H10	0.0°	0.0°
H16	C16	C17	H17	0.1°	0.0°
H20	C20	C21	H21	0.0°	0.0°

Definition date:	2007-11-28
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3BGP