1VO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S24	C23	sing	1.76Å	1.71Å	Aromatic
S24	C25	sing	1.71Å	1.74Å	Aromatic
C23	C22	doub	1.35Å	1.40Å	Aromatic
C25	N26	doub	1.29Å	1.36Å	Aromatic
C22	N26	sing	1.33Å	1.37Å	Aromatic
C22	C17	sing	1.48Å	1.50Å
N16	C17	doub	1.31Å	1.36Å	Aromatic
N16	C15	sing	1.36Å	1.36Å	Aromatic
C17	N13	sing	1.37Å	1.33Å	Aromatic
C15	C21	doub	1.40Å	1.40Å	Aromatic
C15	C14	sing	1.41Å	1.50Å	Aromatic
C21	C20	sing	1.38Å	1.40Å	Aromatic
N13	C14	sing	1.38Å	1.34Å	Aromatic
N13	C9	sing	1.40Å	1.34Å
C14	C18	doub	1.39Å	1.40Å	Aromatic
C10	C9	doub	1.38Å	1.41Å	Aromatic
C10	C5	sing	1.40Å	1.39Å	Aromatic
C9	C8	sing	1.40Å	1.40Å	Aromatic
C20	C28	sing	1.51Å	1.51Å
C20	C19	doub	1.39Å	1.50Å	Aromatic
N4	C5	doub	1.34Å	1.36Å	Aromatic
N4	C3	sing	1.32Å	1.36Å	Aromatic
C5	C6	sing	1.42Å	1.47Å	Aromatic
C8	C7	doub	1.36Å	1.40Å	Aromatic
C18	C19	sing	1.38Å	1.40Å	Aromatic
N12	C3	sing	1.38Å	1.36Å
C3	N2	doub	1.33Å	1.36Å	Aromatic
C19	C27	sing	1.51Å	1.51Å
C6	C7	sing	1.40Å	1.39Å	Aromatic
C6	C1	doub	1.42Å	1.49Å	Aromatic
N2	C1	sing	1.33Å	1.35Å	Aromatic
C1	N11	sing	1.38Å	1.34Å
N12	H1	sing	0.97Å	1.00Å
N12	H2	sing	0.97Å	1.00Å
C10	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
N11	H6	sing	0.97Å	1.00Å
N11	H7	sing	0.97Å	1.00Å
C25	H8	sing	1.08Å	1.08Å
C23	H9	sing	1.08Å	1.08Å
C21	H10	sing	1.08Å	1.08Å
C28	H11	sing	1.09Å	1.10Å
C28	H12	sing	1.09Å	1.10Å
C28	H13	sing	1.09Å	1.10Å
C27	H14	sing	1.09Å	1.10Å
C27	H15	sing	1.09Å	1.10Å
C27	H16	sing	1.09Å	1.10Å
C18	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C23	S24	C25	99.2°	90.5°
S24	C23	C22	100.6°	107.9°
S24	C23	H9	129.7°	126.1°
S24	C25	N26	105.8°	110.6°
S24	C25	H8	127.1°	124.8°
C23	C22	N26	121.4°	113.9°
C23	C22	C17	116.7°	123.1°
C22	C23	H9	129.7°	126.1°
C25	N26	C22	113.1°	117.1°
N26	C25	H8	127.1°	124.7°
N26	C22	C17	121.8°	123.0°
C22	C17	N16	120.9°	125.1°
C22	C17	N13	127.3°	125.2°
C17	N16	C15	106.4°	109.8°
N16	C17	N13	111.8°	109.7°
N16	C15	C21	133.4°	133.4°
N16	C15	C14	107.3°	107.2°
C17	N13	C14	110.4°	107.2°
C17	N13	C9	130.5°	126.4°
C21	C15	C14	119.3°	119.4°
C15	C21	C20	120.5°	119.8°
C15	C21	H10	119.8°	120.1°
C15	C14	N13	104.0°	106.2°
C15	C14	C18	120.7°	119.9°
C21	C20	C28	119.1°	119.7°
C21	C20	C19	120.0°	120.5°
C20	C21	H10	119.8°	120.1°
C14	N13	C9	119.1°	126.4°
N13	C14	C18	135.3°	133.9°
N13	C9	C10	121.2°	119.7°
N13	C9	C8	122.3°	119.6°
C14	C18	C19	119.7°	119.8°
C14	C18	H17	120.1°	120.1°
C9	C10	C5	122.4°	119.5°
C10	C9	C8	116.5°	120.7°
C9	C10	H3	118.8°	120.2°
C10	C5	N4	122.2°	121.9°
C10	C5	C6	118.9°	119.4°
C5	C10	H3	118.8°	120.3°
C9	C8	C7	124.5°	120.8°
C9	C8	H4	117.8°	119.6°
C28	C20	C19	120.9°	119.8°
C20	C28	H11	109.5°	109.5°
C20	C28	H12	109.5°	109.5°
C20	C28	H13	109.4°	109.5°
C20	C19	C18	119.9°	120.5°
C20	C19	C27	121.0°	119.7°
C5	N4	C3	121.4°	120.4°
N4	C5	C6	119.0°	118.8°
N4	C3	N12	118.4°	118.6°
N4	C3	N2	122.4°	122.7°
C5	C6	C7	119.2°	119.9°
C5	C6	C1	116.9°	118.3°
C8	C7	C6	118.6°	119.8°
C7	C8	H4	117.7°	119.6°
C8	C7	H5	120.7°	120.1°
C18	C19	C27	119.2°	119.8°
C19	C18	H17	120.1°	120.1°
N12	C3	N2	119.3°	118.6°
C3	N12	H1	109.5°	120.0°
C3	N12	H2	109.5°	120.0°
C3	N2	C1	122.0°	121.5°
C19	C27	H14	109.5°	109.5°
C19	C27	H15	109.4°	109.5°
C19	C27	H16	109.5°	109.5°
C7	C6	C1	123.9°	121.8°
C6	C7	H5	120.7°	120.1°
C6	C1	N2	118.4°	118.3°
C6	C1	N11	120.6°	120.8°
N2	C1	N11	121.0°	120.9°
C1	N11	H6	109.5°	120.0°
C1	N11	H7	109.5°	120.0°
H1	N12	H2	109.4°	120.0°
H6	N11	H7	109.5°	120.0°
H11	C28	H12	109.5°	109.4°
H11	C28	H13	109.5°	109.5°
H12	C28	H13	109.4°	109.5°
H14	C27	H15	109.5°	109.5°
H14	C27	H16	109.5°	109.5°
H15	C27	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S24	C23	C22	H9	180.0°	179.7°
C23	S24	C25	N26	0.3°	0.1°
S24	C23	C22	N26	1.5°	0.4°
S24	C23	C22	C17	178.0°	180.0°
C23	S24	C25	H8	179.7°	179.8°
C25	S24	C23	C22	0.6°	0.3°
S24	C25	N26	H8	180.0°	179.9°
S24	C25	N26	C22	1.2°	0.1°
C25	S24	C23	H9	179.4°	179.9°
C23	C22	N26	C25	2.0°	0.3°
C23	C22	N26	C17	176.3°	179.7°
C23	C22	C17	N16	10.0°	0.3°
C23	C22	C17	N13	167.1°	179.7°
C25	N26	C22	C17	178.2°	180.0°
N26	C22	C17	N16	173.6°	179.9°
N26	C22	C17	N13	9.3°	0.0°
C22	N26	C25	H8	178.8°	180.0°
N26	C22	C23	H9	178.5°	180.0°
C22	C17	N16	N13	177.5°	180.0°
C22	C17	N16	C15	178.2°	180.0°
C22	C17	N13	C14	177.4°	180.0°
C22	C17	N13	C9	1.5°	0.2°
C17	C22	C23	H9	2.0°	0.3°
C17	N16	C15	C21	179.4°	180.0°
C17	N16	C15	C14	1.0°	0.0°
N16	C17	N13	C14	0.0°	0.0°
N16	C17	N13	C9	178.8°	179.7°
C15	N16	C17	N13	0.7°	0.0°
N16	C15	C21	C14	179.5°	180.0°
N16	C15	C21	C20	179.7°	180.0°
N16	C15	C14	N13	1.0°	0.0°
N16	C15	C14	C18	180.0°	180.0°
N16	C15	C21	H10	0.3°	0.1°
C17	N13	C14	C15	0.6°	0.0°
C17	N13	C14	C9	179.0°	179.8°
C17	N13	C14	C18	179.4°	180.0°
C17	N13	C9	C10	114.9°	64.7°
C17	N13	C9	C8	68.6°	115.2°
C15	C21	C20	H10	180.0°	179.9°
C21	C15	C14	N13	179.4°	180.0°
C21	C15	C14	C18	0.4°	0.0°
C15	C21	C20	C28	180.0°	180.0°
C15	C21	C20	C19	0.1°	0.1°
C14	C15	C21	C20	0.2°	0.1°
C15	C14	N13	C18	178.8°	180.0°
C15	C14	N13	C9	179.6°	179.8°
C15	C14	C18	C19	0.1°	0.1°
C14	C15	C21	H10	179.7°	180.0°
C15	C14	C18	H17	179.9°	180.0°
C21	C20	C28	C19	179.8°	179.9°
C21	C20	C19	C18	0.4°	0.0°
C21	C20	C19	C27	179.8°	179.9°
C21	C20	C28	H11	89.9°	90.0°
C21	C20	C28	H12	150.1°	150.1°
C21	C20	C28	H13	30.1°	30.0°
C14	N13	C9	C10	66.3°	115.0°
C14	N13	C9	C8	110.2°	65.0°
N13	C14	C18	C19	178.8°	180.0°
N13	C14	C18	H17	1.2°	0.0°
C9	N13	C14	C18	1.6°	0.2°
N13	C9	C10	C8	176.7°	179.9°
N13	C9	C10	C5	177.5°	180.0°
N13	C9	C8	C7	177.7°	180.0°
N13	C9	C10	H3	2.5°	0.0°
N13	C9	C8	H4	2.3°	0.1°
C14	C18	C19	C20	0.3°	0.0°
C14	C18	C19	H17	180.0°	180.0°
C14	C18	C19	C27	180.0°	180.0°
C9	C10	C5	H3	180.0°	179.9°
C9	C10	C5	N4	179.3°	180.0°
C9	C10	C5	C6	0.5°	0.1°
C10	C9	C8	C7	1.0°	0.1°
C10	C9	C8	H4	179.0°	180.0°
C5	C10	C9	C8	0.8°	0.1°
C10	C5	N4	C6	179.8°	179.9°
C10	C5	N4	C3	179.7°	180.0°
C10	C5	C6	C7	0.2°	0.0°
C10	C5	C6	C1	179.9°	179.7°
C9	C8	C7	H4	180.0°	179.9°
C9	C8	C7	C6	0.8°	0.0°
C8	C9	C10	H3	179.2°	180.0°
C9	C8	C7	H5	179.2°	180.0°
C28	C20	C19	C18	179.8°	180.0°
C28	C20	C19	C27	0.0°	0.0°
C28	C20	C21	H10	0.1°	0.1°
C20	C28	H11	H12	120.0°	120.0°
C20	C28	H11	H13	120.0°	120.1°
C20	C28	H12	H13	120.0°	120.1°
C20	C19	C18	C27	179.8°	180.0°
C19	C20	C21	H10	179.9°	180.0°
C19	C20	C28	H11	89.9°	90.0°
C19	C20	C28	H12	30.1°	30.0°
C19	C20	C28	H13	150.1°	150.0°
C20	C19	C27	H14	90.1°	90.0°
C20	C19	C27	H15	149.9°	150.0°
C20	C19	C27	H16	29.9°	30.1°
C20	C19	C18	H17	179.8°	180.0°
C5	N4	C3	N12	179.2°	180.0°
C5	N4	C3	N2	0.2°	0.4°
N4	C5	C6	C7	179.6°	180.0°
N4	C5	C6	C1	0.3°	0.2°
N4	C5	C10	H3	0.6°	0.1°
C3	N4	C5	C6	0.5°	0.1°
N4	C3	N12	N2	179.4°	179.7°
N4	C3	N2	C1	0.3°	0.4°
N4	C3	N12	H1	0.0°	179.7°
N4	C3	N12	H2	120.0°	0.5°
C5	C6	C7	C8	0.4°	0.0°
C5	C6	C7	C1	179.9°	179.7°
C5	C6	C1	N2	0.2°	0.2°
C5	C6	C1	N11	179.4°	179.8°
C6	C5	C10	H3	179.5°	180.0°
C5	C6	C7	H5	179.6°	179.9°
C8	C7	C6	H5	180.0°	180.0°
C8	C7	C6	C1	179.7°	179.7°
C18	C19	C27	H14	90.1°	90.0°
C18	C19	C27	H15	29.9°	30.1°
C18	C19	C27	H16	149.9°	150.0°
N12	C3	N2	C1	179.7°	180.0°
C3	N12	H1	H2	120.0°	179.8°
C3	N2	C1	C6	0.5°	0.1°
C3	N2	C1	N11	179.1°	179.9°
N2	C3	N12	H1	179.4°	0.0°
N2	C3	N12	H2	60.6°	179.8°
C19	C27	H14	H15	120.0°	120.0°
C19	C27	H14	H16	120.0°	120.0°
C19	C27	H15	H16	120.0°	120.0°
C27	C19	C18	H17	0.0°	0.0°
C7	C6	C1	N2	179.9°	179.9°
C7	C6	C1	N11	0.5°	0.0°
C6	C7	C8	H4	179.2°	179.9°
C6	C1	N2	N11	179.6°	180.0°
C1	C6	C7	H5	0.3°	0.2°
C6	C1	N11	H6	179.6°	180.0°
C6	C1	N11	H7	59.5°	0.0°
N2	C1	N11	H6	0.0°	0.0°
N2	C1	N11	H7	120.0°	180.0°
C1	N11	H6	H7	120.0°	180.0°
H4	C8	C7	H5	0.8°	0.1°
H11	C28	H12	H13	120.0°	119.9°
H14	C27	H15	H16	120.0°	120.0°

Release date:	2014-02-19
Definition date:	2013-06-20
Last modified:	2014-02-14
Release status:	REL
Processing site:	RCSB
Derived from:	4LAH