A1AC7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	0.00Å	1.33Å
C2	N3	doub	0.00Å	1.35Å	Aromatic
N3	C4	sing	0.00Å	1.34Å	Aromatic
C4	N5	sing	0.00Å	1.39Å
N5	C6	sing	0.00Å	1.41Å
C6	C7	doub	0.00Å	1.39Å	Aromatic
C7	C8	sing	0.00Å	1.39Å	Aromatic
C8	C9	sing	0.00Å	1.52Å
C9	N10	sing	0.00Å	1.51Å
N10	C11	sing	0.00Å	1.49Å
N10	C12	sing	0.00Å	1.49Å
C8	C13	doub	0.00Å	1.39Å	Aromatic
C13	C14	sing	0.00Å	1.39Å	Aromatic
C14	N15	sing	0.00Å	1.42Å
N15	C16	sing	0.00Å	1.36Å
C16	C17	sing	0.00Å	1.50Å
C17	C18	doub	0.00Å	1.39Å	Aromatic
C18	C19	sing	0.00Å	1.38Å	Aromatic
C19	C20	doub	0.00Å	1.38Å	Aromatic
C20	C21	sing	0.00Å	1.39Å	Aromatic
C21	N22	sing	0.00Å	1.41Å
N22	C23	sing	0.00Å	1.39Å
C23	C24	doub	0.00Å	1.38Å	Aromatic
C24	C25	sing	0.00Å	1.39Å	Aromatic
C25	N26	doub	0.00Å	1.32Å	Aromatic
N26	C27	sing	0.00Å	1.37Å	Aromatic
C27	C28	doub	0.00Å	1.42Å	Aromatic
C28	C29	sing	0.00Å	1.42Å	Aromatic
C29	C30	doub	0.00Å	1.36Å	Aromatic
C30	C31	sing	0.00Å	1.39Å	Aromatic
C31	C32	doub	0.00Å	1.37Å	Aromatic
C21	C33	doub	0.00Å	1.39Å	Aromatic
C16	O34	doub	0.00Å	1.23Å
C14	C35	doub	0.00Å	1.39Å	Aromatic
C4	C36	doub	0.00Å	1.40Å	Aromatic
C36	C37	sing	0.00Å	1.38Å	Aromatic
C37	C38	sing	0.00Å	1.50Å
C37	N39	doub	0.00Å	1.34Å	Aromatic
N39	C2	sing	0.00Å	1.35Å	Aromatic
C35	C6	sing	0.00Å	1.39Å	Aromatic
C33	C17	sing	0.00Å	1.39Å	Aromatic
C28	C23	sing	0.00Å	1.43Å	Aromatic
C32	C27	sing	0.00Å	1.41Å	Aromatic
C7	H7	sing	0.00Å	1.08Å
C9	H9A	sing	0.00Å	1.10Å
C9	H9B	sing	0.00Å	1.10Å
C11	H11A	sing	0.00Å	1.10Å
C11	H11C	sing	0.00Å	1.10Å
C11	H11B	sing	0.00Å	1.10Å
C13	H13	sing	0.00Å	1.08Å
C19	H19	sing	0.00Å	1.08Å
C24	H24	sing	0.00Å	1.08Å
C25	H25	sing	0.00Å	1.08Å
C31	H31	sing	0.00Å	1.08Å
C33	H33	sing	0.00Å	1.08Å
C35	H35	sing	0.00Å	1.08Å
C36	H36	sing	0.00Å	1.08Å
C12	H12A	sing	0.00Å	1.10Å
C12	H12B	sing	0.00Å	1.10Å
C12	H12C	sing	0.00Å	1.10Å
C18	H18	sing	0.00Å	1.08Å
C20	H20	sing	0.00Å	1.08Å
C29	H29	sing	0.00Å	1.08Å
C30	H30	sing	0.00Å	1.08Å
C32	H32	sing	0.00Å	1.08Å
C38	H38A	sing	0.00Å	1.10Å
C38	H38C	sing	0.00Å	1.10Å
C38	H38B	sing	0.00Å	1.10Å
N1	H1B	sing	0.00Å	1.00Å
N1	H1A	sing	0.00Å	1.00Å
N15	H15	sing	0.00Å	1.00Å
N22	H22	sing	0.00Å	1.00Å
N5	H5	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	N3	117.2°	90.0°
N1	C2	N39	117.0°	90.0°
C2	N1	H1B	109.5°	90.0°
C2	N1	H1A	109.5°	90.0°
C2	N3	C4	115.7°	90.0°
N3	C2	N39	125.8°	90.0°
N3	C4	N5	116.0°	90.0°
N3	C4	C36	122.7°	90.0°
C4	N5	C6	128.8°	90.0°
N5	C4	C36	121.3°	90.0°
C4	N5	H5	115.6°	90.0°
N5	C6	C7	118.3°	90.0°
N5	C6	C35	121.5°	90.0°
C6	N5	H5	115.6°	90.0°
C6	C7	C8	120.3°	90.0°
C7	C6	C35	120.0°	90.0°
C6	C7	H7	119.8°	90.0°
C7	C8	C9	121.0°	90.0°
C7	C8	C13	119.2°	90.0°
C8	C7	H7	119.8°	90.0°
C8	C9	N10	114.8°	90.0°
C9	C8	C13	119.8°	90.0°
C8	C9	H9A	108.1°	90.0°
C8	C9	H9B	108.1°	90.0°
C9	N10	C11	114.8°	90.0°
C9	N10	C12	115.9°	90.0°
N10	C9	H9A	108.1°	90.0°
N10	C9	H9B	108.1°	90.0°
C11	N10	C12	111.4°	90.0°
N10	C11	H11A	109.5°	90.0°
N10	C11	H11C	109.5°	90.0°
N10	C11	H11B	109.5°	90.0°
N10	C12	H12A	109.5°	90.0°
N10	C12	H12B	109.5°	90.0°
N10	C12	H12C	109.4°	90.0°
C8	C13	C14	121.0°	90.0°
C8	C13	H13	119.5°	90.0°
C13	C14	N15	127.0°	90.0°
C13	C14	C35	119.3°	90.0°
C14	C13	H13	119.5°	90.0°
C14	N15	C16	132.2°	90.0°
N15	C14	C35	113.7°	90.0°
C14	N15	H15	113.9°	90.0°
N15	C16	C17	117.7°	90.0°
N15	C16	O34	122.3°	90.0°
C16	N15	H15	113.9°	90.0°
C16	C17	C18	123.3°	90.0°
C17	C16	O34	120.0°	90.0°
C16	C17	C33	117.4°	90.0°
C17	C18	C19	120.2°	90.0°
C18	C17	C33	119.3°	90.0°
C17	C18	H18	119.9°	90.0°
C18	C19	C20	120.4°	90.0°
C18	C19	H19	119.8°	90.0°
C19	C18	H18	119.9°	90.0°
C19	C20	C21	119.9°	90.0°
C20	C19	H19	119.8°	90.0°
C19	C20	H20	120.1°	90.0°
C20	C21	N22	117.5°	90.0°
C20	C21	C33	119.6°	90.0°
C21	C20	H20	120.0°	90.0°
C21	N22	C23	128.3°	90.0°
N22	C21	C33	122.8°	90.0°
C21	N22	H22	115.8°	90.0°
N22	C23	C24	123.4°	90.0°
N22	C23	C28	118.7°	90.0°
C23	N22	H22	115.8°	90.0°
C23	C24	C25	119.7°	90.0°
C24	C23	C28	117.9°	90.0°
C23	C24	H24	120.2°	90.0°
C24	C25	N26	124.8°	90.0°
C25	C24	H24	120.2°	90.0°
C24	C25	H25	117.6°	90.0°
C25	N26	C27	117.2°	90.0°
N26	C25	H25	117.6°	90.0°
N26	C27	C28	122.5°	90.0°
N26	C27	C32	118.5°	90.0°
C27	C28	C29	118.4°	90.0°
C27	C28	C23	117.9°	90.0°
C28	C27	C32	119.0°	90.0°
C28	C29	C30	120.9°	90.0°
C29	C28	C23	123.7°	90.0°
C28	C29	H29	119.5°	90.0°
C29	C30	C31	120.5°	90.0°
C30	C29	H29	119.6°	90.0°
C29	C30	H30	119.7°	90.0°
C30	C31	C32	120.7°	90.0°
C30	C31	H31	119.7°	90.0°
C31	C30	H30	119.7°	90.0°
C31	C32	C27	120.4°	90.0°
C32	C31	H31	119.7°	90.0°
C31	C32	H32	119.8°	90.0°
C21	C33	C17	120.6°	90.0°
C21	C33	H33	119.7°	90.0°
C14	C35	C6	120.2°	90.0°
C14	C35	H35	119.9°	90.0°
C4	C36	C37	117.2°	90.0°
C4	C36	H36	121.4°	90.0°
C36	C37	C38	121.9°	90.0°
C36	C37	N39	121.4°	90.0°
C37	C36	H36	121.4°	90.0°
C38	C37	N39	116.6°	90.0°
C37	C38	H38A	109.5°	90.0°
C37	C38	H38C	109.5°	90.0°
C37	C38	H38B	109.5°	90.0°
C37	N39	C2	117.2°	90.0°
C6	C35	H35	119.9°	90.0°
C17	C33	H33	119.7°	90.0°
C27	C32	H32	119.8°	90.0°
H9A	C9	H9B	109.5°	90.0°
H11A	C11	H11C	109.5°	90.0°
H11A	C11	H11B	109.4°	90.0°
H11C	C11	H11B	109.5°	90.0°
H12A	C12	H12B	109.5°	90.0°
H12A	C12	H12C	109.5°	90.0°
H12B	C12	H12C	109.5°	90.0°
H38A	C38	H38C	109.5°	90.0°
H38A	C38	H38B	109.5°	90.0°
H38C	C38	H38B	109.5°	90.0°
H1B	N1	H1A	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N3	N39	179.1°	90.0°
N1	C2	N3	C4	179.0°	90.0°
N1	C2	N39	C37	179.1°	90.0°
C2	N1	H1B	H1A	120.0°	90.0°
C2	N3	C4	N5	178.9°	90.0°
C2	N3	C4	C36	0.0°	90.0°
N3	C2	N39	C37	0.0°	90.0°
N3	C2	N1	H1B	0.0°	90.0°
N3	C2	N1	H1A	120.0°	90.0°
N3	C4	N5	C36	178.9°	90.0°
N3	C4	N5	C6	166.9°	90.0°
N3	C4	C36	C37	0.0°	90.0°
C4	N3	C2	N39	0.1°	90.0°
N3	C4	C36	H36	179.9°	90.0°
N3	C4	N5	H5	13.2°	90.0°
C4	N5	C6	H5	180.0°	90.0°
C4	N5	C6	C7	54.0°	90.0°
N5	C4	C36	C37	178.9°	90.0°
C4	N5	C6	C35	121.1°	90.0°
N5	C4	C36	H36	1.1°	90.0°
N5	C6	C7	C35	175.2°	90.0°
N5	C6	C7	C8	174.8°	90.0°
N5	C6	C35	C14	174.8°	90.0°
C6	N5	C4	C36	12.1°	90.0°
N5	C6	C7	H7	5.2°	90.0°
N5	C6	C35	H35	5.2°	90.0°
C6	C7	C8	H7	180.0°	90.0°
C6	C7	C8	C9	179.2°	90.0°
C6	C7	C8	C13	0.3°	90.0°
C7	C6	C35	C14	0.2°	90.0°
C7	C6	C35	H35	179.8°	90.0°
C7	C6	N5	H5	125.9°	90.0°
C7	C8	C9	C13	179.5°	90.0°
C7	C8	C9	N10	12.7°	90.0°
C7	C8	C13	C14	0.1°	90.0°
C8	C7	C6	C35	0.4°	90.0°
C7	C8	C9	H9A	108.1°	90.0°
C7	C8	C9	H9B	133.5°	90.0°
C7	C8	C13	H13	179.9°	90.0°
C8	C9	N10	H9A	120.8°	90.0°
C8	C9	N10	H9B	120.8°	90.0°
C8	C9	N10	C11	75.2°	90.0°
C8	C9	N10	C12	56.9°	90.0°
C9	C8	C13	C14	179.4°	90.0°
C9	C8	C7	H7	0.8°	90.0°
C8	C9	H9A	H9B	117.6°	90.0°
C9	C8	C13	H13	0.6°	90.0°
C9	N10	C11	C12	134.2°	90.0°
N10	C9	C8	C13	166.8°	90.0°
N10	C9	H9A	H9B	117.6°	90.0°
C9	N10	C11	H11A	180.0°	90.0°
C9	N10	C11	H11C	60.0°	90.0°
C9	N10	C11	H11B	60.0°	90.0°
C9	N10	C12	H12A	180.0°	90.0°
C9	N10	C12	H12B	60.0°	90.0°
C9	N10	C12	H12C	60.0°	90.0°
C11	N10	C9	H9A	45.6°	90.0°
C11	N10	C9	H9B	164.0°	90.0°
N10	C11	H11A	H11C	120.0°	90.0°
N10	C11	H11A	H11B	120.0°	90.0°
N10	C11	H11C	H11B	120.0°	90.0°
C11	N10	C12	H12A	46.4°	90.0°
C11	N10	C12	H12B	166.4°	90.0°
C11	N10	C12	H12C	73.6°	90.0°
C12	N10	C9	H9A	177.6°	90.0°
C12	N10	C9	H9B	63.9°	90.0°
C12	N10	C11	H11A	45.9°	90.0°
C12	N10	C11	H11C	74.2°	90.0°
C12	N10	C11	H11B	165.8°	90.0°
N10	C12	H12A	H12B	120.0°	90.0°
N10	C12	H12A	H12C	120.0°	90.0°
N10	C12	H12B	H12C	119.9°	90.0°
C8	C13	C14	H13	180.0°	90.0°
C8	C13	C14	N15	178.2°	90.0°
C8	C13	C14	C35	0.1°	90.0°
C13	C8	C7	H7	179.7°	90.0°
C13	C8	C9	H9A	72.4°	90.0°
C13	C8	C9	H9B	46.0°	90.0°
C13	C14	N15	C35	178.4°	90.0°
C13	C14	N15	C16	1.6°	90.0°
C13	C14	C35	C6	0.0°	90.0°
C13	C14	C35	H35	180.0°	90.0°
C13	C14	N15	H15	178.4°	90.0°
C14	N15	C16	H15	180.0°	90.0°
C14	N15	C16	C17	0.1°	90.0°
C14	N15	C16	O34	179.7°	90.0°
N15	C14	C35	C6	178.5°	90.0°
N15	C14	C13	H13	1.8°	90.0°
N15	C14	C35	H35	1.5°	90.0°
N15	C16	C17	O34	179.7°	90.0°
N15	C16	C17	C18	77.8°	90.0°
C16	N15	C14	C35	176.7°	90.0°
N15	C16	C17	C33	102.9°	90.0°
C16	C17	C18	C33	179.2°	90.0°
C16	C17	C18	C19	179.2°	90.0°
C16	C17	C33	C21	179.3°	90.0°
C16	C17	C33	H33	0.7°	90.0°
C16	C17	C18	H18	0.8°	90.0°
C17	C16	N15	H15	180.0°	90.0°
C17	C18	C19	H18	180.0°	90.0°
C17	C18	C19	C20	0.0°	90.0°
C18	C17	C33	C21	0.0°	90.0°
C18	C17	C16	O34	101.8°	90.0°
C17	C18	C19	H19	180.0°	90.0°
C18	C17	C33	H33	180.0°	90.0°
C18	C19	C20	H19	180.0°	90.0°
C18	C19	C20	C21	0.0°	90.0°
C19	C18	C17	C33	0.0°	90.0°
C18	C19	C20	H20	180.0°	90.0°
C19	C20	C21	H20	180.0°	90.0°
C19	C20	C21	N22	178.1°	90.0°
C19	C20	C21	C33	0.0°	90.0°
C20	C19	C18	H18	180.0°	90.0°
C20	C21	N22	C33	178.1°	90.0°
C20	C21	N22	C23	164.0°	90.0°
C20	C21	C33	C17	0.1°	90.0°
C21	C20	C19	H19	180.0°	90.0°
C20	C21	C33	H33	179.9°	90.0°
C20	C21	N22	H22	16.0°	90.0°
C21	N22	C23	H22	180.0°	90.0°
C21	N22	C23	C24	35.8°	90.0°
N22	C21	C33	C17	178.0°	90.0°
C21	N22	C23	C28	144.9°	90.0°
N22	C21	C33	H33	2.0°	90.0°
N22	C21	C20	H20	1.9°	90.0°
N22	C23	C24	C28	179.3°	90.0°
N22	C23	C24	C25	179.1°	90.0°
N22	C23	C28	C27	179.0°	90.0°
N22	C23	C28	C29	0.0°	90.0°
C23	N22	C21	C33	17.9°	90.0°
N22	C23	C24	H24	0.9°	90.0°
C23	C24	C25	H24	180.0°	90.0°
C23	C24	C25	N26	0.0°	90.0°
C24	C23	C28	C27	0.3°	90.0°
C24	C23	C28	C29	179.2°	90.0°
C23	C24	C25	H25	179.9°	90.0°
C24	C23	N22	H22	144.2°	90.0°
C24	C25	N26	H25	180.0°	90.0°
C24	C25	N26	C27	0.1°	90.0°
C25	C24	C23	C28	0.1°	90.0°
C25	N26	C27	C28	0.2°	90.0°
C25	N26	C27	C32	179.2°	90.0°
N26	C25	C24	H24	180.0°	90.0°
N26	C27	C28	C32	179.5°	90.0°
N26	C27	C28	C29	179.4°	90.0°
N26	C27	C32	C31	179.4°	90.0°
N26	C27	C28	C23	0.3°	90.0°
C27	N26	C25	H25	179.9°	90.0°
N26	C27	C32	H32	0.6°	90.0°
C27	C28	C29	C23	179.0°	90.0°
C27	C28	C29	C30	0.1°	90.0°
C28	C27	C32	C31	0.1°	90.0°
C27	C28	C29	H29	179.9°	90.0°
C28	C27	C32	H32	179.9°	90.0°
C28	C29	C30	H29	180.0°	90.0°
C28	C29	C30	C31	0.0°	90.0°
C29	C28	C27	C32	0.1°	90.0°
C28	C29	C30	H30	180.0°	90.0°
C29	C30	C31	H30	180.0°	90.0°
C29	C30	C31	C32	0.0°	90.0°
C30	C29	C28	C23	179.0°	90.0°
C29	C30	C31	H31	180.0°	90.0°
C30	C31	C32	H31	180.0°	90.0°
C30	C31	C32	C27	0.0°	90.0°
C31	C30	C29	H29	180.0°	90.0°
C30	C31	C32	H32	180.0°	90.0°
C31	C32	C27	H32	180.0°	90.0°
C32	C31	C30	H30	180.0°	90.0°
C21	C33	C17	H33	180.0°	90.0°
C33	C21	C20	H20	179.9°	90.0°
C33	C21	N22	H22	162.1°	90.0°
O34	C16	C17	C33	77.4°	90.0°
O34	C16	N15	H15	0.3°	90.0°
C14	C35	C6	H35	180.0°	90.0°
C35	C14	C13	H13	179.9°	90.0°
C35	C14	N15	H15	3.3°	90.0°
C4	C36	C37	H36	180.0°	90.0°
C4	C36	C37	C38	179.8°	90.0°
C4	C36	C37	N39	0.1°	90.0°
C36	C4	N5	H5	167.9°	90.0°
C36	C37	C38	N39	179.9°	90.0°
C36	C37	N39	C2	0.1°	90.0°
C36	C37	C38	H38A	179.9°	90.0°
C36	C37	C38	H38C	59.9°	90.0°
C36	C37	C38	H38B	60.0°	90.0°
C38	C37	N39	C2	179.8°	90.0°
C38	C37	C36	H36	0.2°	90.0°
C37	C38	H38A	H38C	120.0°	90.0°
C37	C38	H38A	H38B	120.0°	90.0°
C37	C38	H38C	H38B	120.0°	90.0°
N39	C37	C36	H36	179.9°	90.0°
N39	C37	C38	H38A	0.0°	90.0°
N39	C37	C38	H38C	120.0°	90.0°
N39	C37	C38	H38B	120.0°	90.0°
N39	C2	N1	H1B	179.2°	90.0°
N39	C2	N1	H1A	60.8°	90.0°
C35	C6	C7	H7	179.6°	90.0°
C35	C6	N5	H5	58.9°	90.0°
C33	C17	C18	H18	180.0°	90.0°
C23	C28	C27	C32	179.1°	90.0°
C28	C23	C24	H24	179.9°	90.0°
C23	C28	C29	H29	1.0°	90.0°
C28	C23	N22	H22	35.1°	90.0°
C27	C32	C31	H31	180.0°	90.0°
H11A	C11	H11C	H11B	119.9°	90.0°
H19	C19	C18	H18	0.0°	90.0°
H19	C19	C20	H20	0.0°	90.0°
H24	C24	C25	H25	0.1°	90.0°
H31	C31	C30	H30	0.1°	90.0°
H31	C31	C32	H32	0.0°	90.0°
H12A	C12	H12B	H12C	120.0°	90.0°
H29	C29	C30	H30	0.0°	90.0°
H38A	C38	H38C	H38B	120.0°	90.0°

Release date:	2024-09-25
Definition date:	2024-01-18
Last modified:	2024-09-20
Release status:	REL
Processing site:	RCSB
Derived from:	8VPG