VNI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.22Å	1.22Å
C13	C1	sing	1.48Å	1.50Å
N1	C1	sing	1.35Å	1.32Å
N1	C2	sing	1.46Å	1.44Å
N1	HN1	sing	0.97Å	1.00Å
C7	C2	sing	1.51Å	1.47Å
C3	C2	sing	1.53Å	1.56Å
C2	H2	sing	1.09Å	1.10Å
C3	N2	sing	1.46Å	1.46Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C6	N2	sing	1.35Å	1.32Å	Aromatic
N2	C4	sing	1.37Å	1.35Å	Aromatic
C4	C5	doub	1.35Å	1.35Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
N3	C5	sing	1.34Å	1.36Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	N3	doub	1.30Å	1.34Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C8	C7	doub	1.38Å	1.41Å	Aromatic
C7	C12	sing	1.38Å	1.38Å	Aromatic
C9	C8	sing	1.38Å	1.37Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	C10	doub	1.38Å	1.40Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
CL1	C10	sing	1.74Å	1.76Å
C10	C11	sing	1.38Å	1.37Å	Aromatic
C11	C12	doub	1.38Å	1.37Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C12	CL2	sing	1.74Å	1.75Å
C14	C13	doub	1.40Å	1.38Å	Aromatic
C13	C18	sing	1.40Å	1.38Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C15	C16	doub	1.40Å	1.38Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C19	C16	sing	1.48Å	1.39Å	Aromatic
C16	C17	sing	1.40Å	1.38Å	Aromatic
C17	C18	doub	1.38Å	1.40Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
N4	C19	doub	1.31Å	1.36Å	Aromatic
C19	O2	sing	1.35Å	1.36Å	Aromatic
N5	N4	sing	1.29Å	1.40Å	Aromatic
N5	C20	doub	1.31Å	1.35Å	Aromatic
C20	C21	sing	1.48Å	1.40Å	Aromatic
C20	O2	sing	1.35Å	1.37Å	Aromatic
C26	C21	doub	1.40Å	1.39Å	Aromatic
C21	C22	sing	1.40Å	1.40Å	Aromatic
C22	C23	doub	1.38Å	1.40Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C24	C23	sing	1.38Å	1.39Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
C25	C24	doub	1.38Å	1.40Å	Aromatic
C24	H24	sing	1.08Å	1.08Å
C26	C25	sing	1.38Å	1.40Å	Aromatic
C25	H25	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C13	120.4°	120.0°
O1	C1	N1	119.3°	120.0°
C13	C1	N1	120.2°	120.0°
C1	C13	C14	121.0°	120.0°
C1	C13	C18	120.9°	120.0°
C1	N1	C2	120.6°	120.0°
C1	N1	HN1	119.7°	120.0°
C2	N1	HN1	119.7°	120.0°
N1	C2	C7	112.5°	109.4°
N1	C2	C3	101.1°	109.5°
N1	C2	H2	114.9°	109.5°
C7	C2	C3	114.5°	109.4°
C7	C2	H2	101.5°	109.5°
C2	C7	C8	122.1°	120.0°
C2	C7	C12	118.9°	120.0°
C3	C2	H2	112.9°	109.5°
C2	C3	N2	114.6°	109.5°
C2	C3	H3	107.8°	109.5°
C2	C3	H3A	106.6°	109.5°
N2	C3	H3	107.8°	109.4°
N2	C3	H3A	106.6°	109.5°
C3	N2	C6	125.1°	126.4°
C3	N2	C4	126.9°	126.4°
H3	C3	H3A	113.6°	109.5°
C6	N2	C4	108.0°	107.2°
N2	C6	N3	109.6°	108.7°
N2	C6	H6	125.2°	125.6°
N2	C4	C5	107.5°	106.8°
N2	C4	H4	126.3°	126.6°
C5	C4	H4	126.3°	126.5°
C4	C5	N3	107.7°	108.0°
C4	C5	H5	126.1°	126.0°
N3	C5	H5	126.2°	126.0°
C5	N3	C6	107.1°	109.3°
N3	C6	H6	125.2°	125.7°
C8	C7	C12	118.9°	120.0°
C7	C8	C9	118.2°	120.0°
C7	C8	H8	120.9°	120.0°
C7	C12	C11	123.7°	120.0°
C7	C12	CL2	117.8°	120.0°
C9	C8	H8	120.9°	120.0°
C8	C9	C10	120.9°	120.0°
C8	C9	H9	119.5°	120.0°
C10	C9	H9	119.5°	120.0°
C9	C10	CL1	119.8°	120.0°
C9	C10	C11	121.6°	120.0°
CL1	C10	C11	118.6°	120.0°
C10	C11	C12	116.6°	120.0°
C10	C11	H11	121.7°	120.0°
C12	C11	H11	121.7°	120.0°
C11	C12	CL2	118.4°	120.0°
C14	C13	C18	118.0°	120.0°
C13	C14	C15	121.7°	120.0°
C13	C14	H14	119.2°	120.0°
C13	C18	C17	120.4°	120.0°
C13	C18	H18	119.8°	120.0°
C15	C14	H14	119.2°	120.0°
C14	C15	C16	120.5°	120.0°
C14	C15	H15	119.8°	120.0°
C16	C15	H15	119.8°	120.0°
C15	C16	C19	122.2°	120.0°
C15	C16	C17	118.6°	120.0°
C19	C16	C17	119.2°	120.0°
C16	C19	N4	129.2°	126.3°
C16	C19	O2	123.3°	126.3°
C16	C17	C18	120.8°	120.0°
C16	C17	H17	119.6°	120.0°
C18	C17	H17	119.6°	120.1°
C17	C18	H18	119.8°	120.0°
N4	C19	O2	107.5°	107.4°
C19	N4	N5	107.3°	109.4°
C19	O2	C20	109.6°	106.4°
N4	N5	C20	108.4°	109.4°
N5	C20	C21	128.0°	126.3°
N5	C20	O2	107.2°	107.5°
C21	C20	O2	124.8°	126.2°
C20	C21	C26	120.4°	120.2°
C20	C21	C22	120.6°	120.1°
C26	C21	C22	119.0°	119.7°
C21	C26	C25	121.2°	119.9°
C21	C26	H26	119.4°	120.1°
C21	C22	C23	120.2°	119.8°
C21	C22	H22	119.9°	120.1°
C23	C22	H22	119.9°	120.1°
C22	C23	C24	120.1°	120.2°
C22	C23	H23	119.9°	119.9°
C24	C23	H23	119.9°	119.9°
C23	C24	C25	120.3°	120.3°
C23	C24	H24	119.8°	119.8°
C25	C24	H24	119.9°	119.9°
C24	C25	C26	119.1°	120.1°
C24	C25	H25	120.4°	119.9°
C26	C25	H25	120.4°	119.9°
C25	C26	H26	119.4°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C13	N1	177.9°	179.8°
O1	C1	N1	C2	3.0°	0.1°
O1	C1	N1	HN1	177.0°	180.0°
O1	C1	C13	C14	174.5°	179.8°
O1	C1	C13	C18	9.4°	0.0°
C13	C1	N1	C2	174.9°	179.7°
C13	C1	N1	HN1	5.1°	0.2°
C1	C13	C14	C18	176.2°	179.8°
C1	C13	C14	C15	176.9°	180.0°
C1	C13	C14	H14	3.1°	0.1°
C1	C13	C18	C17	178.5°	179.8°
C1	C13	C18	H18	1.5°	0.0°
C1	N1	C2	HN1	180.0°	179.9°
C1	N1	C2	C7	150.4°	85.2°
C1	N1	C2	C3	87.0°	154.9°
C1	N1	C2	H2	34.9°	34.8°
N1	C1	C13	C14	7.6°	0.0°
N1	C1	C13	C18	168.5°	179.8°
N1	C2	C7	C3	114.7°	120.0°
N1	C2	C7	H2	123.4°	120.0°
N1	C2	C3	H2	123.3°	120.0°
N1	C2	C3	N2	171.9°	65.0°
N1	C2	C3	H3	51.9°	55.0°
N1	C2	C3	H3A	70.4°	175.0°
N1	C2	C7	C8	82.0°	28.8°
N1	C2	C7	C12	99.9°	150.9°
HN1	N1	C2	C7	29.6°	95.0°
HN1	N1	C2	C3	93.0°	25.0°
HN1	N1	C2	H2	145.1°	145.1°
C7	C2	C3	H2	115.5°	120.0°
C7	C2	C3	N2	66.9°	175.0°
C7	C2	C3	H3	173.1°	65.0°
C7	C2	C3	H3A	50.8°	55.0°
C2	C7	C8	C12	178.1°	179.6°
C2	C7	C8	C9	179.3°	180.0°
C2	C7	C8	H8	0.7°	0.0°
C2	C7	C12	C11	179.1°	179.7°
C2	C7	C12	CL2	3.1°	0.1°
C2	C3	N2	H3	120.0°	120.0°
C2	C3	N2	H3A	117.7°	120.0°
C2	C3	H3	H3A	117.9°	120.0°
C2	C3	N2	C6	104.8°	90.3°
C2	C3	N2	C4	71.6°	90.0°
C3	C2	C7	C8	32.7°	91.2°
C3	C2	C7	C12	145.5°	89.1°
H2	C2	C3	N2	48.6°	55.0°
H2	C2	C3	H3	71.4°	175.0°
H2	C2	C3	H3A	166.3°	65.0°
H2	C2	C7	C8	154.6°	148.8°
H2	C2	C7	C12	23.5°	30.9°
N2	C3	H3	H3A	117.9°	120.0°
C3	N2	C6	C4	177.0°	179.8°
C3	N2	C4	C5	179.6°	180.0°
C3	N2	C4	H4	0.4°	0.1°
C3	N2	C6	N3	179.0°	179.8°
C3	N2	C6	H6	1.0°	0.1°
H3	C3	N2	C6	135.2°	149.7°
H3	C3	N2	C4	48.4°	30.0°
H3A	C3	N2	C6	13.0°	29.7°
H3A	C3	N2	C4	170.6°	150.0°
C6	N2	C4	C5	3.5°	0.3°
C6	N2	C4	H4	176.5°	179.8°
N2	C6	N3	C5	0.3°	0.4°
N2	C6	N3	H6	180.0°	180.0°
N2	C4	C5	H4	180.0°	179.9°
N2	C4	C5	N3	3.6°	0.0°
N2	C4	C5	H5	176.4°	180.0°
C4	N2	C6	N3	2.0°	0.4°
C4	N2	C6	H6	178.0°	179.6°
C4	C5	N3	H5	180.0°	180.0°
C4	C5	N3	C6	2.4°	0.2°
H4	C4	C5	N3	176.4°	179.9°
H4	C4	C5	H5	3.6°	0.1°
C5	N3	C6	H6	179.7°	179.6°
H5	C5	N3	C6	177.6°	179.8°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C10	0.6°	0.1°
C7	C8	C9	H9	179.4°	179.9°
C8	C7	C12	C11	0.9°	0.6°
C8	C7	C12	CL2	178.7°	179.7°
C12	C7	C8	C9	1.1°	0.4°
C12	C7	C8	H8	178.9°	179.7°
C7	C12	C11	C10	0.0°	0.6°
C7	C12	C11	CL2	177.8°	179.7°
C7	C12	C11	H11	180.0°	179.7°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	CL1	179.8°	179.9°
C8	C9	C10	C11	0.3°	0.0°
H8	C8	C9	C10	179.4°	180.0°
H8	C8	C9	H9	0.6°	0.0°
C9	C10	CL1	C11	179.9°	180.0°
C9	C10	C11	C12	0.6°	0.3°
C9	C10	C11	H11	179.4°	180.0°
H9	C9	C10	CL1	0.2°	0.0°
H9	C9	C10	C11	179.7°	180.0°
CL1	C10	C11	C12	179.5°	179.7°
CL1	C10	C11	H11	0.5°	0.0°
C10	C11	C12	H11	180.0°	179.7°
C10	C11	C12	CL2	177.8°	179.7°
H11	C11	C12	CL2	2.2°	0.0°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	C16	1.1°	0.0°
C13	C14	C15	H15	178.9°	180.0°
C14	C13	C18	C17	2.3°	0.5°
C14	C13	C18	H18	177.7°	179.8°
C18	C13	C14	C15	0.7°	0.2°
C18	C13	C14	H14	179.3°	179.7°
C13	C18	C17	C16	2.1°	0.5°
C13	C18	C17	H18	180.0°	179.7°
C13	C18	C17	H17	177.9°	179.7°
C14	C15	C16	H15	180.0°	180.0°
C14	C15	C16	C19	179.1°	180.0°
C14	C15	C16	C17	1.3°	0.0°
H14	C14	C15	C16	178.9°	179.9°
H14	C14	C15	H15	1.1°	0.1°
C15	C16	C19	C17	179.6°	180.0°
C15	C16	C17	C18	0.3°	0.2°
C15	C16	C17	H17	179.7°	179.9°
C15	C16	C19	N4	0.6°	0.4°
C15	C16	C19	O2	179.2°	180.0°
H15	C15	C16	C19	0.9°	0.0°
H15	C15	C16	C17	178.7°	180.0°
C19	C16	C17	C18	179.3°	179.8°
C19	C16	C17	H17	0.7°	0.0°
C16	C19	N4	O2	179.8°	179.7°
C16	C19	N4	N5	178.4°	180.0°
C16	C19	O2	C20	177.9°	179.9°
C16	C17	C18	H17	180.0°	179.8°
C16	C17	C18	H18	177.9°	179.8°
C17	C16	C19	N4	178.9°	179.7°
C17	C16	C19	O2	1.3°	0.0°
H17	C17	C18	H18	2.1°	0.0°
C19	N4	N5	C20	0.4°	0.1°
N4	C19	O2	C20	1.9°	0.4°
O2	C19	N4	N5	1.4°	0.3°
C19	O2	C20	N5	1.7°	0.4°
C19	O2	C20	C21	179.4°	179.8°
N4	N5	C20	C21	178.5°	180.0°
N4	N5	C20	O2	0.8°	0.2°
N5	C20	C21	O2	177.3°	179.8°
N5	C20	C21	C26	1.9°	179.8°
N5	C20	C21	C22	178.6°	0.1°
C20	C21	C26	C22	179.5°	179.7°
C20	C21	C22	C23	178.5°	180.0°
C20	C21	C22	H22	1.4°	0.1°
C20	C21	C26	C25	179.9°	179.8°
C20	C21	C26	H26	0.1°	0.0°
O2	C20	C21	C26	179.1°	0.0°
O2	C20	C21	C22	1.4°	179.7°
C26	C21	C22	C23	1.0°	0.3°
C26	C21	C22	H22	179.1°	179.8°
C21	C26	C25	C24	1.4°	0.5°
C21	C26	C25	H26	180.0°	179.8°
C21	C26	C25	H25	178.6°	179.7°
C21	C22	C23	H22	180.0°	180.0°
C21	C22	C23	C24	1.7°	0.0°
C21	C22	C23	H23	178.3°	180.0°
C22	C21	C26	C25	0.6°	0.5°
C22	C21	C26	H26	179.4°	179.7°
C22	C23	C24	H23	180.0°	180.0°
C22	C23	C24	C25	0.8°	0.0°
C22	C23	C24	H24	179.2°	180.0°
H22	C22	C23	C24	178.3°	180.0°
H22	C22	C23	H23	1.6°	0.0°
C23	C24	C25	H24	180.0°	180.0°
C23	C24	C25	C26	0.7°	0.2°
C23	C24	C25	H25	179.3°	180.0°
H23	C23	C24	C25	179.2°	180.0°
H23	C23	C24	H24	0.8°	0.0°
C24	C25	C26	H25	180.0°	179.8°
C24	C25	C26	H26	178.6°	179.7°
H24	C24	C25	C26	179.3°	179.8°
H24	C24	C25	H25	0.7°	0.0°
H25	C25	C26	H26	1.4°	0.1°

Definition date:	2009-04-01
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3GW9