J2V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C25	C23	sing	1.51Å	1.50Å
N13	C12	doub	1.32Å	1.35Å	Aromatic
N13	C14	sing	1.32Å	1.35Å	Aromatic
N22	C23	sing	1.35Å	1.37Å
N22	C14	sing	1.39Å	1.44Å
C12	C11	sing	1.38Å	1.38Å	Aromatic
C23	O24	doub	1.21Å	1.21Å
C14	C15	doub	1.39Å	1.41Å	Aromatic
C11	C10	doub	1.40Å	1.39Å	Aromatic
C15	C10	sing	1.40Å	1.40Å	Aromatic
C20	C21	doub	1.38Å	1.39Å	Aromatic
C20	C19	sing	1.39Å	1.41Å	Aromatic
C10	C8	sing	1.48Å	1.49Å
O26	C19	sing	1.36Å	1.35Å
O26	C27	sing	1.43Å	1.45Å
C21	C16	sing	1.40Å	1.40Å	Aromatic
C19	N18	doub	1.32Å	1.33Å	Aromatic
C8	C7	doub	1.38Å	1.38Å	Aromatic
C8	N9	sing	1.37Å	1.38Å	Aromatic
C16	C7	sing	1.48Å	1.48Å
C16	C17	doub	1.39Å	1.39Å	Aromatic
N18	C17	sing	1.32Å	1.34Å	Aromatic
C7	C1	sing	1.47Å	1.45Å	Aromatic
N9	C2	sing	1.38Å	1.37Å	Aromatic
C1	C2	doub	1.41Å	1.39Å	Aromatic
C1	N6	sing	1.33Å	1.35Å	Aromatic
C2	C3	sing	1.39Å	1.40Å	Aromatic
N6	C5	doub	1.32Å	1.35Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.39Å	1.40Å	Aromatic
C17	H35	sing	1.08Å	1.08Å
C15	H34	sing	1.08Å	1.08Å
C20	H36	sing	1.08Å	1.08Å
C21	H37	sing	1.08Å	1.08Å
C11	H32	sing	1.08Å	1.08Å
C12	H33	sing	1.08Å	1.08Å
C27	H42	sing	1.09Å	1.10Å
C27	H44	sing	1.09Å	1.10Å
C27	H43	sing	1.09Å	1.10Å
C3	H28	sing	1.08Å	1.08Å
C4	H29	sing	1.08Å	1.08Å
C5	H30	sing	1.08Å	1.08Å
N9	H31	sing	0.97Å	1.00Å
N22	H38	sing	0.97Å	1.00Å
C25	H39	sing	1.09Å	1.10Å
C25	H40	sing	1.09Å	1.10Å
C25	H41	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C25	C23	N22	116.3°	120.0°
C25	C23	O24	120.4°	120.0°
C23	C25	H39	109.5°	109.5°
C23	C25	H40	109.5°	109.5°
C23	C25	H41	109.4°	109.5°
C12	N13	C14	117.8°	122.0°
N13	C12	C11	124.0°	121.0°
N13	C12	H33	118.0°	119.5°
N13	C14	N22	113.6°	119.6°
N13	C14	C15	121.8°	120.8°
C23	N22	C14	128.8°	120.0°
N22	C23	O24	123.3°	120.0°
C23	N22	H38	115.6°	120.0°
N22	C14	C15	124.6°	119.6°
C14	N22	H38	115.6°	120.0°
C12	C11	C10	118.6°	119.1°
C12	C11	H32	120.7°	120.5°
C11	C12	H33	118.0°	119.5°
C14	C15	C10	119.5°	118.9°
C14	C15	H34	120.3°	120.5°
C11	C10	C15	118.3°	118.2°
C11	C10	C8	121.2°	120.9°
C10	C11	H32	120.7°	120.4°
C15	C10	C8	120.3°	120.9°
C10	C15	H34	120.2°	120.5°
C21	C20	C19	116.8°	119.3°
C20	C21	C16	119.9°	118.3°
C21	C20	H36	121.6°	120.3°
C20	C21	H37	120.1°	120.8°
C20	C19	O26	116.2°	119.5°
C20	C19	N18	124.6°	120.9°
C19	C20	H36	121.6°	120.4°
C10	C8	C7	132.6°	125.4°
C10	C8	N9	118.6°	125.4°
C19	O26	C27	118.7°	117.0°
O26	C19	N18	119.2°	119.6°
O26	C27	H42	109.5°	109.5°
O26	C27	H44	109.4°	109.5°
O26	C27	H43	109.5°	109.5°
C21	C16	C7	122.6°	120.5°
C21	C16	C17	117.8°	119.0°
C16	C21	H37	120.1°	120.8°
C19	N18	C17	116.9°	121.8°
C7	C8	N9	108.7°	109.2°
C8	C7	C16	128.4°	126.7°
C8	C7	C1	106.9°	106.6°
C8	N9	C2	109.2°	110.0°
C8	N9	H31	125.4°	125.0°
C7	C16	C17	119.4°	120.5°
C16	C7	C1	124.5°	126.7°
C16	C17	N18	124.2°	120.6°
C16	C17	H35	117.9°	119.7°
N18	C17	H35	117.9°	119.7°
C7	C1	C2	106.6°	106.1°
C7	C1	N6	130.3°	133.4°
N9	C2	C1	108.6°	108.1°
N9	C2	C3	131.9°	133.1°
C2	N9	H31	125.4°	124.9°
C2	C1	N6	123.1°	120.5°
C1	C2	C3	119.6°	118.8°
C1	N6	C5	116.8°	121.4°
C2	C3	C4	117.7°	118.3°
C2	C3	H28	121.1°	120.8°
N6	C5	C4	123.8°	121.2°
N6	C5	H30	118.1°	119.4°
C3	C4	C5	119.0°	119.7°
C4	C3	H28	121.1°	120.9°
C3	C4	H29	120.5°	120.1°
C5	C4	H29	120.5°	120.2°
C4	C5	H30	118.1°	119.4°
H42	C27	H44	109.5°	109.4°
H42	C27	H43	109.5°	109.5°
H44	C27	H43	109.5°	109.5°
H39	C25	H40	109.5°	109.4°
H39	C25	H41	109.5°	109.4°
H40	C25	H41	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C25	C23	N22	O24	179.4°	179.9°
C25	C23	N22	C14	174.5°	174.9°
C25	C23	N22	H38	5.4°	5.2°
C23	C25	H39	H40	120.0°	120.0°
C23	C25	H39	H41	120.0°	120.0°
C23	C25	H40	H41	120.0°	120.1°
C12	N13	C14	N22	177.1°	179.4°
N13	C12	C11	H33	180.0°	179.5°
C12	N13	C14	C15	0.9°	0.6°
N13	C12	C11	C10	0.8°	0.5°
N13	C12	C11	H32	179.1°	179.4°
N13	C14	N22	C23	175.4°	5.1°
N13	C14	N22	C15	177.9°	180.0°
C14	N13	C12	C11	0.2°	0.8°
N13	C14	C15	C10	2.3°	0.0°
N13	C14	C15	H34	177.7°	179.8°
C14	N13	C12	H33	179.9°	179.7°
N13	C14	N22	H38	4.6°	174.9°
C23	N22	C14	H38	180.0°	179.9°
C23	N22	C14	C15	2.5°	174.9°
N22	C23	C25	H39	179.4°	179.9°
N22	C23	C25	H40	60.6°	60.0°
N22	C23	C25	H41	59.4°	60.1°
C14	N22	C23	O24	4.9°	5.0°
N22	C14	C15	C10	175.4°	180.0°
N22	C14	C15	H34	4.6°	0.2°
C12	C11	C10	H32	180.0°	179.9°
C12	C11	C10	C15	2.2°	0.0°
C12	C11	C10	C8	172.1°	180.0°
O24	C23	N22	H38	175.2°	174.9°
O24	C23	C25	H39	0.0°	0.0°
O24	C23	C25	H40	120.0°	120.0°
O24	C23	C25	H41	120.0°	120.0°
C14	C15	C10	C11	2.9°	0.3°
C14	C15	C10	H34	180.0°	179.8°
C14	C15	C10	C8	171.4°	179.8°
C15	C14	N22	H38	177.5°	5.1°
C11	C10	C15	C8	174.3°	180.0°
C11	C10	C8	C7	25.4°	45.1°
C11	C10	C8	N9	151.7°	134.7°
C11	C10	C15	H34	177.1°	179.9°
C10	C11	C12	H33	179.2°	180.0°
C15	C10	C8	C7	160.5°	135.0°
C15	C10	C8	N9	22.4°	45.3°
C15	C10	C11	H32	177.8°	179.9°
C21	C20	C19	H36	180.0°	179.7°
C21	C20	C19	O26	176.2°	179.7°
C20	C21	C16	H37	180.0°	180.0°
C21	C20	C19	N18	0.7°	0.2°
C20	C21	C16	C7	173.3°	180.0°
C20	C21	C16	C17	0.7°	0.0°
C20	C19	O26	N18	177.1°	179.9°
C20	C19	O26	C27	177.5°	180.0°
C19	C20	C21	C16	0.8°	0.2°
C20	C19	N18	C17	0.6°	0.1°
C19	C20	C21	H37	179.3°	179.8°
C10	C8	C7	N9	177.3°	179.8°
C10	C8	C7	C16	7.3°	0.0°
C10	C8	C7	C1	176.4°	180.0°
C10	C8	N9	C2	177.3°	179.8°
C8	C10	C15	H34	8.6°	0.0°
C8	C10	C11	H32	8.0°	0.1°
C10	C8	N9	H31	2.7°	0.3°
O26	C19	N18	C17	176.3°	180.0°
O26	C19	C20	H36	3.8°	0.0°
C19	O26	C27	H42	180.0°	60.0°
C19	O26	C27	H44	60.0°	179.9°
C19	O26	C27	H43	60.0°	60.0°
C27	O26	C19	N18	0.3°	0.1°
O26	C27	H42	H44	120.0°	120.0°
O26	C27	H42	H43	120.0°	120.0°
O26	C27	H44	H43	120.0°	120.0°
C21	C16	C7	C8	54.4°	115.0°
C21	C16	C7	C17	173.9°	179.9°
C21	C16	C17	N18	0.5°	0.3°
C21	C16	C7	C1	121.3°	65.0°
C21	C16	C17	H35	179.5°	180.0°
C16	C21	C20	H36	179.2°	180.0°
C19	N18	C17	C16	0.5°	0.3°
C19	N18	C17	H35	179.5°	180.0°
N18	C19	C20	H36	179.3°	180.0°
C8	C7	C16	C1	175.6°	180.0°
C8	C7	C16	C17	131.8°	65.0°
C7	C8	N9	C2	0.4°	0.4°
C8	C7	C1	C2	1.0°	0.0°
C8	C7	C1	N6	179.3°	179.7°
C7	C8	N9	H31	179.6°	179.9°
N9	C8	C7	C16	175.4°	179.8°
N9	C8	C7	C1	0.8°	0.2°
C8	N9	C2	H31	180.0°	179.5°
C8	N9	C2	C1	0.2°	0.4°
C8	N9	C2	C3	178.5°	179.7°
C7	C16	C17	N18	173.6°	179.8°
C16	C7	C1	C2	175.4°	180.0°
C16	C7	C1	N6	2.9°	0.3°
C7	C16	C17	H35	6.4°	0.1°
C7	C16	C21	H37	6.7°	0.0°
C16	C17	N18	H35	180.0°	179.7°
C17	C16	C7	C1	52.6°	115.0°
C17	C16	C21	H37	179.4°	180.0°
C7	C1	C2	N9	0.7°	0.3°
C7	C1	C2	N6	178.5°	179.7°
C7	C1	C2	C3	178.2°	179.8°
C7	C1	N6	C5	178.0°	179.7°
N9	C2	C1	C3	178.9°	179.9°
N9	C2	C1	N6	179.2°	180.0°
N9	C2	C3	C4	178.7°	180.0°
N9	C2	C3	H28	1.3°	0.0°
C2	C1	N6	C5	0.1°	0.1°
C1	C2	C3	C4	0.1°	0.1°
C1	C2	C3	H28	179.9°	179.9°
C1	C2	N9	H31	179.8°	179.9°
N6	C1	C2	C3	0.3°	0.1°
C1	N6	C5	C4	0.2°	0.1°
C1	N6	C5	H30	179.8°	179.9°
C2	C3	C4	H28	180.0°	180.0°
C2	C3	C4	C5	0.2°	0.1°
C2	C3	C4	H29	179.8°	180.0°
C3	C2	N9	H31	1.5°	0.1°
N6	C5	C4	C3	0.4°	0.1°
N6	C5	C4	H30	180.0°	180.0°
N6	C5	C4	H29	179.6°	180.0°
C3	C4	C5	H29	180.0°	179.9°
C3	C4	C5	H30	179.6°	180.0°
C5	C4	C3	H28	179.8°	179.9°
H36	C20	C21	H37	0.7°	0.0°
H32	C11	C12	H33	0.8°	0.1°
H42	C27	H44	H43	120.0°	119.9°
H28	C3	C4	H29	0.2°	0.0°
H29	C4	C5	H30	0.3°	0.0°
H39	C25	H40	H41	120.0°	119.9°

Release date:	2018-10-31
Definition date:	2018-08-06
Last modified:	2018-10-26
Release status:	REL
Processing site:	RCSB
Derived from:	5QIL