GVR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O28	C27	doub	1.23Å	1.23Å
C27	N29	sing	1.33Å	1.33Å
C27	C26	sing	1.50Å	1.50Å
N29	O30	sing	1.40Å	1.40Å
C26	C25	sing	1.52Å	1.52Å
C26	N1	sing	1.44Å	1.44Å
C25	C15	sing	1.52Å	1.52Å
C15	C16	sing	1.40Å	1.40Å	Aromatic
C15	C18	doub	1.39Å	1.39Å	Aromatic
C16	C17	doub	1.39Å	1.39Å	Aromatic
C17	C20	sing	1.39Å	1.39Å	Aromatic
C20	C21	sing	1.40Å	1.40Å	Aromatic
C20	C19	doub	1.48Å	1.48Å	Aromatic
C21	C22	doub	1.39Å	1.39Å	Aromatic
C19	C24	sing	1.39Å	1.39Å	Aromatic
C19	C18	sing	1.39Å	1.39Å	Aromatic
C24	C23	doub	1.40Å	1.40Å	Aromatic
C23	C22	sing	1.40Å	1.40Å	Aromatic
N1	S2	sing	1.58Å	1.58Å
S2	O13	doub	1.43Å	1.43Å
S2	O14	doub	1.43Å	1.43Å
S2	C3	sing	1.62Å	1.62Å
C3	C4	sing	1.40Å	1.40Å	Aromatic
C3	C6	doub	1.41Å	1.41Å	Aromatic
C4	C5	doub	1.40Å	1.40Å	Aromatic
C5	C8	sing	1.39Å	1.39Å	Aromatic
C8	C9	sing	1.39Å	1.39Å	Aromatic
C8	C7	doub	1.48Å	1.48Å	Aromatic
C9	C10	doub	1.40Å	1.40Å	Aromatic
C7	C6	sing	1.40Å	1.40Å	Aromatic
C7	C12	sing	1.40Å	1.40Å	Aromatic
C12	C11	doub	1.40Å	1.40Å	Aromatic
C11	C10	sing	1.39Å	1.39Å	Aromatic
N29	H29	sing	1.00Å	1.00Å
C26	H26	sing	1.10Å	1.10Å
O30	H30	sing	0.95Å	0.95Å
C25	H251	sing	1.10Å	1.10Å
C25	H252	sing	1.10Å	1.10Å
N1	H1	sing	1.00Å	1.00Å
C16	H16	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C6	H6	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
C12	H12	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O28	C27	N29	119.6°	119.6°
O28	C27	C26	120.8°	120.8°
N29	C27	C26	119.6°	119.6°
C27	N29	O30	117.1°	117.1°
C27	N29	H29	121.5°	121.5°
C27	C26	C25	111.8°	111.8°
C27	C26	N1	112.3°	112.3°
C27	C26	H26	105.1°	105.2°
O30	N29	H29	121.4°	121.4°
N29	O30	H30	109.5°	109.5°
C25	C26	N1	107.2°	107.2°
C26	C25	C15	111.4°	111.4°
C25	C26	H26	110.5°	110.4°
C26	C25	H251	108.8°	108.8°
C26	C25	H252	108.4°	108.4°
C26	N1	S2	119.3°	119.3°
N1	C26	H26	109.9°	109.9°
C26	N1	H1	106.3°	106.3°
C25	C15	C16	119.8°	119.8°
C25	C15	C18	119.5°	119.5°
C15	C25	H251	108.8°	108.8°
C15	C25	H252	108.4°	108.4°
C16	C15	C18	120.7°	120.7°
C15	C16	C17	120.8°	120.8°
C15	C16	H16	119.6°	119.6°
C15	C18	C19	120.7°	120.7°
C15	C18	H18	119.6°	119.6°
C16	C17	C20	120.1°	120.1°
C17	C16	H16	119.6°	119.6°
C16	C17	H17	120.0°	120.0°
C17	C20	C21	122.0°	122.0°
C17	C20	C19	119.2°	119.2°
C20	C17	H17	119.9°	119.9°
C21	C20	C19	118.7°	118.7°
C20	C21	C22	119.4°	119.4°
C20	C21	H21	120.3°	120.3°
C20	C19	C24	120.0°	120.0°
C20	C19	C18	118.5°	118.5°
C21	C22	C23	121.7°	121.7°
C22	C21	H21	120.3°	120.3°
C21	C22	H22	119.1°	119.1°
C24	C19	C18	121.6°	121.6°
C19	C24	C23	119.4°	119.4°
C19	C24	H24	120.3°	120.3°
C19	C18	H18	119.6°	119.6°
C24	C23	C22	120.7°	120.7°
C23	C24	H24	120.3°	120.3°
C24	C23	H23	119.6°	119.6°
C23	C22	H22	119.1°	119.1°
C22	C23	H23	119.7°	119.7°
N1	S2	O13	109.2°	109.2°
N1	S2	O14	107.8°	107.8°
N1	S2	C3	107.5°	107.5°
S2	N1	H1	106.3°	106.3°
O13	S2	O14	112.4°	112.4°
O13	S2	C3	110.9°	110.9°
O14	S2	C3	108.9°	108.9°
S2	C3	C4	118.1°	118.1°
S2	C3	C6	122.2°	122.2°
C4	C3	C6	119.6°	119.6°
C3	C4	C5	121.6°	121.6°
C3	C4	H4	119.2°	119.2°
C3	C6	C7	120.5°	120.5°
C3	C6	H6	119.7°	119.7°
C4	C5	C8	120.3°	120.3°
C5	C4	H4	119.2°	119.2°
C4	C5	H5	119.8°	119.8°
C5	C8	C9	121.7°	121.7°
C5	C8	C7	118.7°	118.7°
C8	C5	H5	119.8°	119.8°
C9	C8	C7	119.6°	119.6°
C8	C9	C10	120.1°	120.1°
C8	C9	H9	120.0°	120.0°
C8	C7	C6	119.2°	119.2°
C8	C7	C12	118.3°	118.3°
C9	C10	C11	120.6°	120.6°
C10	C9	H9	119.9°	119.9°
C9	C10	H10	119.7°	119.7°
C6	C7	C12	122.5°	122.5°
C7	C6	H6	119.8°	119.8°
C7	C12	C11	120.1°	120.1°
C7	C12	H12	120.0°	120.0°
C12	C11	C10	121.3°	121.3°
C11	C12	H12	120.0°	120.0°
C12	C11	H11	119.3°	119.3°
C11	C10	H10	119.7°	119.7°
C10	C11	H11	119.3°	119.3°
H251	C25	H252	111.0°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O28	C27	N29	C26	179.6°	179.6°
O28	C27	N29	O30	0.2°	0.2°
O28	C27	C26	C25	81.4°	81.4°
O28	C27	C26	N1	158.0°	158.0°
O28	C27	N29	H29	179.8°	179.8°
O28	C27	C26	H26	38.5°	38.5°
C27	N29	O30	H29	180.0°	180.0°
N29	C27	C26	C25	99.0°	99.0°
N29	C27	C26	N1	21.6°	21.6°
N29	C27	C26	H26	141.1°	141.1°
C27	N29	O30	H30	39.7°	39.7°
C26	C27	N29	O30	179.4°	179.4°
C27	C26	C25	N1	123.5°	123.5°
C27	C26	C25	H26	116.7°	116.8°
C27	C26	N1	H26	116.7°	116.7°
C27	C26	C25	C15	166.1°	166.1°
C27	C26	N1	S2	94.4°	94.4°
C26	C27	N29	H29	0.6°	0.6°
C27	C26	C25	H251	46.1°	46.1°
C27	C26	C25	H252	74.7°	74.7°
C27	C26	N1	H1	145.6°	145.6°
C25	C26	N1	H26	120.1°	120.1°
C26	C25	C15	H251	120.0°	120.0°
C26	C25	C15	H252	119.2°	119.2°
C26	C25	C15	C16	117.3°	117.3°
C26	C25	C15	C18	64.5°	64.5°
C25	C26	N1	S2	142.4°	142.4°
C26	C25	H251	H252	119.2°	119.2°
C25	C26	N1	H1	22.4°	22.4°
N1	C26	C25	C15	70.4°	70.4°
C26	N1	S2	H1	120.0°	120.0°
C26	N1	S2	O13	49.5°	49.5°
C26	N1	S2	O14	171.8°	171.8°
C26	N1	S2	C3	70.9°	70.9°
N1	C26	C25	H251	169.6°	169.6°
N1	C26	C25	H252	48.8°	48.8°
C25	C15	C16	C18	178.2°	178.2°
C25	C15	C16	C17	179.0°	179.0°
C25	C15	C18	C19	179.2°	179.2°
C15	C25	C26	H26	49.4°	49.3°
C15	C25	H251	H252	119.2°	119.2°
C25	C15	C16	H16	1.0°	1.0°
C25	C15	C18	H18	0.8°	0.8°
C15	C16	C17	H16	180.0°	180.0°
C15	C16	C17	C20	0.6°	0.6°
C16	C15	C18	C19	1.0°	1.0°
C16	C15	C25	H251	122.7°	122.7°
C16	C15	C25	H252	1.9°	1.9°
C16	C15	C18	H18	179.0°	179.0°
C15	C16	C17	H17	179.4°	179.4°
C18	C15	C16	C17	0.9°	0.9°
C15	C18	C19	C20	0.8°	0.8°
C15	C18	C19	C24	179.6°	179.6°
C15	C18	C19	H18	180.0°	180.0°
C18	C15	C25	H251	55.5°	55.5°
C18	C15	C25	H252	176.3°	176.3°
C18	C15	C16	H16	179.1°	179.1°
C16	C17	C20	H17	180.0°	180.0°
C16	C17	C20	C21	179.9°	179.9°
C16	C17	C20	C19	0.4°	0.4°
C17	C20	C21	C19	179.5°	179.5°
C17	C20	C21	C22	179.7°	179.7°
C17	C20	C19	C24	179.9°	179.9°
C17	C20	C19	C18	0.5°	0.5°
C20	C17	C16	H16	179.4°	179.4°
C17	C20	C21	H21	0.3°	0.3°
C20	C21	C22	H21	180.0°	180.0°
C21	C20	C19	C24	0.4°	0.4°
C21	C20	C19	C18	180.0°	180.0°
C20	C21	C22	C23	1.3°	1.3°
C21	C20	C17	H17	0.1°	0.1°
C20	C21	C22	H22	178.7°	178.7°
C19	C20	C21	C22	0.8°	0.8°
C20	C19	C24	C18	179.5°	179.5°
C20	C19	C24	C23	0.5°	0.5°
C20	C19	C18	H18	179.2°	179.2°
C19	C20	C17	H17	179.6°	179.6°
C19	C20	C21	H21	179.2°	179.2°
C20	C19	C24	H24	179.5°	179.5°
C21	C22	C23	C24	1.4°	1.4°
C21	C22	C23	H22	180.0°	180.0°
C21	C22	C23	H23	178.6°	178.6°
C19	C24	C23	H24	180.0°	180.0°
C19	C24	C23	C22	1.0°	1.0°
C24	C19	C18	H18	0.4°	0.4°
C19	C24	C23	H23	179.0°	179.0°
C18	C19	C24	C23	180.0°	180.0°
C18	C19	C24	H24	0.0°	0.0°
C24	C23	C22	H23	180.0°	180.0°
C24	C23	C22	H22	178.6°	178.6°
C23	C22	C21	H21	178.7°	178.7°
C22	C23	C24	H24	179.0°	179.0°
N1	S2	O13	O14	119.5°	119.5°
N1	S2	O13	C3	118.3°	118.3°
N1	S2	O14	C3	116.3°	116.3°
N1	S2	C3	C4	68.2°	68.2°
N1	S2	C3	C6	112.0°	112.0°
S2	N1	C26	H26	22.3°	22.3°
O13	S2	O14	C3	123.3°	123.3°
O13	S2	C3	C4	172.4°	172.4°
O13	S2	C3	C6	7.3°	7.3°
O13	S2	N1	H1	169.5°	169.5°
O14	S2	C3	C4	48.3°	48.3°
O14	S2	C3	C6	131.5°	131.5°
O14	S2	N1	H1	68.2°	68.2°
S2	C3	C4	C6	179.7°	179.7°
S2	C3	C4	C5	179.8°	179.8°
S2	C3	C6	C7	179.7°	179.7°
C3	S2	N1	H1	49.1°	49.1°
S2	C3	C4	H4	0.2°	0.2°
S2	C3	C6	H6	0.3°	0.3°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C8	0.2°	0.2°
C4	C3	C6	C7	0.0°	0.0°
C4	C3	C6	H6	180.0°	180.0°
C3	C4	C5	H5	179.7°	179.7°
C6	C3	C4	C5	0.1°	0.1°
C3	C6	C7	C8	0.0°	0.0°
C3	C6	C7	H6	180.0°	180.0°
C3	C6	C7	C12	179.9°	179.9°
C6	C3	C4	H4	179.9°	179.9°
C4	C5	C8	H5	180.0°	180.0°
C4	C5	C8	C9	179.8°	179.8°
C4	C5	C8	C7	0.3°	0.3°
C5	C8	C9	C7	179.9°	179.9°
C5	C8	C9	C10	179.8°	179.8°
C5	C8	C7	C6	0.2°	0.2°
C5	C8	C7	C12	179.9°	179.9°
C8	C5	C4	H4	179.8°	179.8°
C5	C8	C9	H9	0.1°	0.1°
C8	C9	C10	H9	180.0°	180.0°
C9	C8	C7	C6	179.9°	179.9°
C9	C8	C7	C12	0.0°	0.0°
C8	C9	C10	C11	0.5°	0.5°
C9	C8	C5	H5	0.3°	0.3°
C8	C9	C10	H10	179.5°	179.5°
C7	C8	C9	C10	0.1°	0.1°
C8	C7	C6	C12	179.9°	179.9°
C8	C7	C12	C11	0.6°	0.6°
C8	C7	C6	H6	180.0°	180.0°
C7	C8	C5	H5	179.7°	179.7°
C7	C8	C9	H9	179.9°	179.9°
C8	C7	C12	H12	179.3°	179.3°
C9	C10	C11	C12	1.2°	1.2°
C9	C10	C11	H10	180.0°	180.0°
C9	C10	C11	H11	178.8°	178.8°
C6	C7	C12	C11	179.5°	179.5°
C6	C7	C12	H12	0.5°	0.5°
C7	C12	C11	H12	180.0°	180.0°
C7	C12	C11	C10	1.3°	1.3°
C12	C7	C6	H6	0.1°	0.1°
C7	C12	C11	H11	178.7°	178.7°
C12	C11	C10	H11	180.0°	180.0°
C12	C11	C10	H10	178.8°	178.8°
C11	C10	C9	H9	179.5°	179.5°
C10	C11	C12	H12	178.7°	178.7°
H29	N29	O30	H30	140.3°	140.3°
H26	C26	C25	H251	70.6°	70.7°
H26	C26	C25	H252	168.6°	168.5°
H26	C26	N1	H1	97.7°	97.7°
H16	C16	C17	H17	0.6°	0.6°
H21	C21	C22	H22	1.3°	1.3°
H22	C22	C23	H23	1.4°	1.4°
H24	C24	C23	H23	1.0°	1.0°
H4	C4	C5	H5	0.3°	0.3°
H9	C9	C10	H10	0.5°	0.5°
H10	C10	C11	H11	1.2°	1.2°
H12	C12	C11	H11	1.3°	1.3°

Definition date:	2007-10-26
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2VES