II9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.37Å	1.32Å	Aromatic
N1	C6	sing	1.38Å	1.37Å	Aromatic
C2	N4	doub	1.31Å	1.37Å	Aromatic
C2	C15	sing	1.48Å	1.47Å
C3	C5	doub	1.41Å	1.42Å	Aromatic
C3	C10	sing	1.39Å	1.39Å	Aromatic
C3	C12	sing	1.47Å	1.48Å
N4	C7	sing	1.36Å	1.38Å	Aromatic
C5	N9	sing	1.39Å	1.40Å
C5	C11	sing	1.38Å	1.38Å	Aromatic
C6	C11	doub	1.39Å	1.40Å	Aromatic
C6	C7	sing	1.41Å	1.42Å	Aromatic
C7	C10	doub	1.39Å	1.37Å	Aromatic
C8	N9	sing	1.35Å	1.35Å
C8	O16	doub	1.21Å	1.21Å
C8	C14	sing	1.48Å	1.48Å
C12	N18	sing	1.35Å	1.36Å
C12	O17	doub	1.22Å	1.23Å
N13	C19	doub	1.32Å	1.31Å	Aromatic
N13	C14	sing	1.33Å	1.33Å	Aromatic
C14	C20	doub	1.39Å	1.40Å	Aromatic
C15	C22	doub	1.39Å	1.40Å	Aromatic
C15	C23	sing	1.40Å	1.40Å	Aromatic
N18	C25	sing	1.47Å	1.48Å
C19	C26	sing	1.51Å	1.51Å
C19	C24	sing	1.39Å	1.40Å	Aromatic
C20	C21	sing	1.39Å	1.39Å	Aromatic
C21	C24	doub	1.39Å	1.39Å	Aromatic
C22	C27	sing	1.38Å	1.38Å	Aromatic
C23	C28	doub	1.38Å	1.38Å	Aromatic
C27	C29	doub	1.38Å	1.39Å	Aromatic
C28	C29	sing	1.38Å	1.38Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C20	H3	sing	1.08Å	1.08Å
C21	H4	sing	1.08Å	1.08Å
C22	H5	sing	1.08Å	1.08Å
C23	H6	sing	1.08Å	1.08Å
C24	H7	sing	1.08Å	1.08Å
C25	H8	sing	1.09Å	1.10Å
C25	H9	sing	1.09Å	1.10Å
C25	H10	sing	1.09Å	1.10Å
C26	H11	sing	1.09Å	1.10Å
C26	H12	sing	1.09Å	1.10Å
C26	H13	sing	1.09Å	1.10Å
C27	H14	sing	1.08Å	1.08Å
C28	H15	sing	1.08Å	1.08Å
N1	H16	sing	0.97Å	1.00Å
N9	H18	sing	0.97Å	1.00Å
N18	H19	sing	0.97Å	1.00Å
C29	H20	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	108.8°	107.3°
N1	C2	N4	110.5°	109.8°
N1	C2	C15	126.4°	125.1°
C2	N1	H16	125.6°	126.4°
N1	C6	C11	133.1°	133.5°
N1	C6	C7	107.3°	106.2°
C6	N1	H16	125.6°	126.4°
N4	C2	C15	123.0°	125.1°
C2	N4	C7	107.3°	109.6°
C2	C15	C22	118.0°	120.2°
C2	C15	C23	121.4°	120.1°
C5	C3	C10	120.9°	120.1°
C5	C3	C12	121.5°	119.9°
C3	C5	N9	119.8°	119.9°
C3	C5	C11	120.0°	120.2°
C10	C3	C12	117.5°	119.9°
C3	C10	C7	118.7°	119.7°
C3	C10	H1	120.7°	120.1°
C3	C12	N18	122.8°	120.0°
C3	C12	O17	116.3°	120.0°
N4	C7	C6	106.1°	107.1°
N4	C7	C10	132.5°	133.1°
N9	C5	C11	120.1°	119.9°
C5	N9	C8	128.0°	120.0°
C5	N9	H18	116.0°	120.0°
C5	C11	C6	119.4°	120.0°
C5	C11	H2	120.3°	120.1°
C11	C6	C7	119.6°	120.2°
C6	C11	H2	120.3°	120.0°
C6	C7	C10	121.4°	119.8°
C7	C10	H1	120.7°	120.2°
N9	C8	O16	122.4°	120.1°
N9	C8	C14	117.5°	120.0°
C8	N9	H18	116.0°	120.0°
O16	C8	C14	120.1°	120.0°
C8	C14	N13	116.7°	119.7°
C8	C14	C20	122.7°	119.7°
N18	C12	O17	120.5°	120.0°
C12	N18	C25	119.9°	120.0°
C12	N18	H19	120.0°	120.0°
C19	N13	C14	122.2°	121.6°
N13	C19	C26	117.7°	119.5°
N13	C19	C24	120.6°	120.9°
N13	C14	C20	120.6°	120.5°
C14	C20	C21	118.5°	119.1°
C14	C20	H3	120.8°	120.5°
C22	C15	C23	120.4°	119.7°
C15	C22	C27	119.7°	119.9°
C15	C22	H5	120.1°	120.1°
C15	C23	C28	119.1°	119.8°
C15	C23	H6	120.4°	120.1°
N18	C25	H8	109.5°	109.5°
N18	C25	H9	109.5°	109.5°
N18	C25	H10	109.4°	109.5°
C25	N18	H19	120.1°	120.0°
C26	C19	C24	121.8°	119.6°
C19	C26	H11	109.5°	109.5°
C19	C26	H12	109.4°	109.5°
C19	C26	H13	109.5°	109.5°
C19	C24	C21	119.3°	119.4°
C19	C24	H7	120.3°	120.4°
C20	C21	C24	118.8°	118.4°
C21	C20	H3	120.8°	120.4°
C20	C21	H4	120.6°	120.8°
C24	C21	H4	120.6°	120.8°
C21	C24	H7	120.4°	120.3°
C22	C27	C29	119.7°	120.2°
C27	C22	H5	120.1°	120.0°
C22	C27	H14	120.1°	119.9°
C23	C28	C29	120.2°	120.1°
C28	C23	H6	120.5°	120.1°
C23	C28	H15	119.9°	119.9°
C27	C29	C28	120.7°	120.3°
C29	C27	H14	120.1°	119.9°
C27	C29	H20	119.6°	119.9°
C29	C28	H15	119.9°	120.0°
C28	C29	H20	119.6°	119.8°
H8	C25	H9	109.4°	109.5°
H8	C25	H10	109.5°	109.4°
H9	C25	H10	109.5°	109.5°
H11	C26	H12	109.5°	109.5°
H11	C26	H13	109.5°	109.4°
H12	C26	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C6	H16	180.0°	180.0°
N1	C2	N4	C15	175.6°	179.9°
N1	C2	N4	C7	1.8°	0.0°
C2	N1	C6	C11	179.8°	179.9°
C2	N1	C6	C7	0.3°	0.0°
N1	C2	C15	C22	23.2°	180.0°
N1	C2	C15	C23	162.9°	0.3°
C6	N1	C2	N4	1.3°	0.1°
C6	N1	C2	C15	176.6°	180.0°
N1	C6	C7	N4	0.8°	0.0°
N1	C6	C11	C5	179.1°	179.8°
N1	C6	C11	C7	180.0°	179.9°
N1	C6	C7	C10	179.8°	180.0°
N1	C6	C11	H2	0.9°	0.1°
C2	N4	C7	C6	1.5°	0.0°
C2	N4	C7	C10	179.2°	179.9°
N4	C2	C15	C22	151.6°	0.1°
N4	C2	C15	C23	22.3°	179.8°
N4	C2	N1	H16	178.7°	179.9°
C15	C2	N4	C7	177.3°	180.0°
C2	C15	C22	C23	174.0°	179.7°
C2	C15	C22	C27	177.6°	179.7°
C2	C15	C23	C28	177.9°	179.7°
C2	C15	C22	H5	2.5°	0.3°
C2	C15	C23	H6	2.1°	0.2°
C15	C2	N1	H16	3.4°	0.0°
C5	C3	C10	C12	176.2°	179.9°
C3	C5	N9	C11	176.8°	180.0°
C3	C5	C11	C6	1.0°	0.2°
C5	C3	C10	C7	0.2°	0.3°
C3	C5	N9	C8	164.9°	145.0°
C5	C3	C12	N18	156.9°	175.0°
C5	C3	C12	O17	30.2°	5.0°
C5	C3	C10	H1	179.8°	179.9°
C3	C5	C11	H2	179.0°	179.9°
C3	C5	N9	H18	15.1°	34.9°
C3	C10	C7	N4	179.5°	179.8°
C10	C3	C5	N9	177.3°	180.0°
C10	C3	C5	C11	0.5°	0.1°
C3	C10	C7	C6	0.4°	0.3°
C3	C10	C7	H1	180.0°	179.7°
C10	C3	C12	N18	26.9°	4.9°
C10	C3	C12	O17	145.9°	175.0°
C12	C3	C5	N9	1.2°	0.1°
C12	C3	C5	C11	175.6°	180.0°
C12	C3	C10	C7	176.4°	179.8°
C3	C12	N18	O17	172.6°	179.9°
C3	C12	N18	C25	177.2°	180.0°
C12	C3	C10	H1	3.5°	0.0°
C3	C12	N18	H19	2.8°	0.1°
N4	C7	C6	C11	179.2°	180.0°
N4	C7	C6	C10	179.4°	180.0°
N4	C7	C10	H1	0.4°	0.0°
N9	C5	C11	C6	177.8°	179.7°
C5	N9	C8	H18	180.0°	180.0°
C5	N9	C8	O16	3.0°	5.3°
C5	N9	C8	C14	177.5°	174.7°
N9	C5	C11	H2	2.2°	0.0°
C5	C11	C6	H2	180.0°	179.7°
C5	C11	C6	C7	0.9°	0.3°
C11	C5	N9	C8	18.3°	35.0°
C11	C5	N9	H18	161.7°	145.0°
C11	C6	C7	C10	0.2°	0.0°
C11	C6	N1	H16	0.2°	0.1°
C6	C7	C10	H1	179.6°	180.0°
C7	C6	C11	H2	179.1°	180.0°
C7	C6	N1	H16	179.7°	179.9°
N9	C8	O16	C14	179.5°	180.0°
N9	C8	C14	N13	23.6°	0.0°
N9	C8	C14	C20	157.0°	180.0°
O16	C8	C14	N13	156.8°	180.0°
O16	C8	C14	C20	22.6°	0.0°
O16	C8	N9	H18	176.9°	174.7°
C8	C14	N13	C19	179.3°	180.0°
C8	C14	N13	C20	179.4°	180.0°
C8	C14	C20	C21	179.8°	179.8°
C8	C14	C20	H3	0.2°	0.0°
C14	C8	N9	H18	2.6°	5.3°
C12	N18	C25	H19	180.0°	180.0°
C12	N18	C25	H8	180.0°	60.0°
C12	N18	C25	H9	60.0°	60.0°
C12	N18	C25	H10	60.0°	180.0°
O17	C12	N18	C25	4.6°	0.0°
O17	C12	N18	H19	175.4°	180.0°
C19	N13	C14	C20	0.1°	0.0°
N13	C19	C26	C24	179.8°	179.7°
N13	C19	C24	C21	0.8°	0.3°
N13	C19	C24	H7	179.2°	179.7°
N13	C19	C26	H11	0.0°	89.7°
N13	C19	C26	H12	120.0°	30.3°
N13	C19	C26	H13	120.0°	150.3°
C14	N13	C19	C26	179.8°	180.0°
C14	N13	C19	C24	0.1°	0.3°
N13	C14	C20	C21	0.4°	0.3°
N13	C14	C20	H3	179.6°	179.9°
C14	C20	C21	H3	180.0°	179.8°
C14	C20	C21	C24	1.1°	0.3°
C14	C20	C21	H4	178.9°	179.7°
C15	C22	C27	H5	180.0°	179.9°
C22	C15	C23	C28	4.2°	0.0°
C15	C22	C27	C29	1.3°	0.0°
C22	C15	C23	H6	175.9°	179.9°
C15	C22	C27	H14	178.7°	180.0°
C23	C15	C22	C27	3.6°	0.0°
C15	C23	C28	H6	180.0°	179.9°
C15	C23	C28	C29	2.5°	0.1°
C23	C15	C22	H5	176.4°	179.9°
C15	C23	C28	H15	177.5°	179.9°
N18	C25	H8	H9	120.0°	120.0°
N18	C25	H8	H10	120.0°	120.0°
N18	C25	H9	H10	120.0°	120.0°
C26	C19	C24	C21	179.1°	180.0°
C26	C19	C24	H7	0.9°	0.0°
C19	C26	H11	H12	120.0°	120.1°
C19	C26	H11	H13	120.0°	120.0°
C19	C26	H12	H13	120.0°	120.0°
C19	C24	C21	C20	1.3°	0.0°
C19	C24	C21	H7	180.0°	180.0°
C19	C24	C21	H4	178.7°	180.0°
C24	C19	C26	H11	179.8°	90.0°
C24	C19	C26	H12	60.1°	150.0°
C24	C19	C26	H13	59.8°	30.0°
C20	C21	C24	H4	180.0°	180.0°
C20	C21	C24	H7	178.7°	180.0°
C24	C21	C20	H3	178.9°	180.0°
C22	C27	C29	H14	180.0°	180.0°
C22	C27	C29	C28	0.3°	0.0°
C22	C27	C29	H20	179.6°	180.0°
C23	C28	C29	C27	0.3°	0.1°
C23	C28	C29	H15	180.0°	180.0°
C23	C28	C29	H20	179.7°	180.0°
C27	C29	C28	H20	180.0°	180.0°
C29	C27	C22	H5	178.7°	179.9°
C27	C29	C28	H15	179.7°	179.9°
C29	C28	C23	H6	177.5°	180.0°
C28	C29	C27	H14	179.7°	179.9°
H3	C20	C21	H4	1.1°	0.0°
H4	C21	C24	H7	1.3°	0.0°
H5	C22	C27	H14	1.3°	0.1°
H6	C23	C28	H15	2.5°	0.0°
H8	C25	H9	H10	120.0°	120.0°
H8	C25	N18	H19	0.0°	120.0°
H9	C25	N18	H19	120.0°	119.9°
H10	C25	N18	H19	120.0°	0.0°
H11	C26	H12	H13	120.0°	119.9°
H14	C27	C29	H20	0.3°	0.0°
H15	C28	C29	H20	0.3°	0.0°

Release date:	2022-10-12
Definition date:	2022-01-25
Last modified:	2022-10-07
Release status:	REL
Processing site:	RCSB
Derived from:	5SEX