HT2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.38Å	1.32Å
N1	HN11	sing	0.97Å	1.02Å
N1	HN12	sing	0.97Å	1.02Å
N2	C1	doub	1.30Å	1.35Å
N2	HN2	sing	0.97Å	1.02Å
C1	C2	sing	1.48Å	1.41Å
C2	C3	doub	1.39Å	1.40Å	Aromatic
C2	C7	sing	1.40Å	1.42Å	Aromatic
C3	C4	sing	1.38Å	1.41Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	doub	1.41Å	1.40Å	Aromatic
C4	N3	sing	1.38Å	1.35Å	Aromatic
C5	C6	sing	1.40Å	1.39Å	Aromatic
C5	N4	sing	1.35Å	1.39Å	Aromatic
C6	C7	doub	1.36Å	1.43Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	H7	sing	1.08Å	1.10Å
N3	C8	sing	1.37Å	1.37Å	Aromatic
N3	HN3	sing	0.97Å	1.02Å
C8	N4	doub	1.31Å	1.32Å	Aromatic
C8	C9	sing	1.48Å	1.36Å	Aromatic
C9	C10	doub	1.39Å	1.38Å	Aromatic
C9	C14	sing	1.40Å	1.36Å	Aromatic
C10	C11	sing	1.38Å	1.40Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
C11	C12	doub	1.41Å	1.38Å	Aromatic
C11	N5	sing	1.38Å	1.35Å	Aromatic
C12	C13	sing	1.40Å	1.38Å	Aromatic
C12	N6	sing	1.35Å	1.39Å	Aromatic
C13	C14	doub	1.36Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	H14	sing	1.08Å	1.10Å
N5	C15	sing	1.37Å	1.38Å	Aromatic
N5	HN5	sing	0.97Å	1.02Å
C15	N6	doub	1.31Å	1.31Å	Aromatic
C15	C16	sing	1.48Å	1.37Å	Aromatic
C16	C17	sing	1.40Å	1.39Å	Aromatic
C16	C21	doub	1.40Å	1.39Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C17	H17	sing	1.08Å	1.10Å
C18	C19	sing	1.39Å	1.41Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
C19	C20	doub	1.40Å	1.41Å	Aromatic
C19	C22	sing	1.48Å	1.40Å
C20	C21	sing	1.38Å	1.40Å	Aromatic
C20	H20	sing	1.08Å	1.10Å
C21	H21	sing	1.08Å	1.10Å
C22	N7	sing	1.38Å	1.34Å
C22	N8	doub	1.30Å	1.34Å
N7	HN71	sing	0.97Å	1.02Å
N7	HN72	sing	0.97Å	1.02Å
N8	HN8	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	HN11	115.5°	120.0°
C1	N1	HN12	109.9°	120.0°
N1	C1	N2	115.5°	120.0°
N1	C1	C2	116.7°	120.0°
HN11	N1	HN12	110.0°	120.0°
C1	N2	HN2	70.1°	120.0°
N2	C1	C2	127.8°	120.0°
C1	C2	C3	116.3°	119.9°
C1	C2	C7	126.5°	119.9°
C3	C2	C7	117.2°	120.1°
C2	C3	C4	121.6°	119.6°
C2	C3	H3	118.9°	120.2°
C2	C7	C6	121.3°	120.6°
C2	C7	H7	118.7°	119.8°
C4	C3	H3	119.5°	120.2°
C3	C4	C5	120.8°	120.0°
C3	C4	N3	130.5°	133.8°
C5	C4	N3	108.7°	106.2°
C4	C5	C6	119.4°	119.6°
C4	C5	N4	106.0°	107.2°
C4	N3	C8	106.7°	107.0°
C4	N3	HN3	126.1°	126.5°
C6	C5	N4	134.6°	133.2°
C5	C6	C7	119.6°	120.1°
C5	C6	H6	118.7°	119.9°
C5	N4	C8	107.9°	109.8°
C7	C6	H6	121.7°	120.0°
C6	C7	H7	120.0°	119.7°
C8	N3	HN3	127.2°	126.5°
N3	C8	N4	110.7°	109.7°
N3	C8	C9	123.0°	125.1°
N4	C8	C9	126.4°	125.1°
C8	C9	C10	121.0°	120.0°
C8	C9	C14	117.5°	119.9°
C10	C9	C14	121.3°	120.1°
C9	C10	C11	118.8°	119.7°
C9	C10	H10	120.0°	120.2°
C9	C14	C13	119.4°	120.6°
C9	C14	H14	119.4°	119.7°
C11	C10	H10	121.2°	120.2°
C10	C11	C12	120.4°	120.0°
C10	C11	N5	133.3°	133.9°
C12	C11	N5	106.3°	106.1°
C11	C12	C13	119.5°	119.6°
C11	C12	N6	108.4°	107.2°
C11	N5	C15	108.3°	107.1°
C11	N5	HN5	125.1°	126.4°
C13	C12	N6	132.0°	133.2°
C12	C13	C14	120.5°	120.1°
C12	C13	H13	119.5°	119.9°
C12	N6	C15	107.1°	109.8°
C14	C13	H13	119.9°	120.0°
C13	C14	H14	121.1°	119.7°
C15	N5	HN5	126.5°	126.4°
N5	C15	N6	109.7°	109.7°
N5	C15	C16	125.4°	125.2°
N6	C15	C16	124.7°	125.1°
C15	C16	C17	119.0°	120.0°
C15	C16	C21	118.4°	120.0°
C17	C16	C21	122.5°	120.0°
C16	C17	C18	119.2°	120.0°
C16	C17	H17	120.4°	120.1°
C16	C21	C20	118.3°	120.0°
C16	C21	H21	120.6°	120.0°
C18	C17	H17	120.4°	120.0°
C17	C18	C19	119.5°	120.0°
C17	C18	H18	119.6°	120.0°
C19	C18	H18	120.9°	120.0°
C18	C19	C20	120.1°	120.0°
C18	C19	C22	120.2°	120.1°
C20	C19	C22	119.6°	120.0°
C19	C20	C21	120.1°	120.0°
C19	C20	H20	120.3°	120.0°
C19	C22	N7	119.4°	120.0°
C19	C22	N8	119.6°	120.0°
C21	C20	H20	119.6°	120.0°
C20	C21	H21	121.1°	120.0°
N7	C22	N8	120.9°	120.0°
C22	N7	HN71	119.4°	120.0°
C22	N7	HN72	108.6°	120.0°
C22	N8	HN8	66.6°	119.9°
HN71	N7	HN72	108.7°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	HN11	HN12	125.2°	180.0°
N1	C1	N2	C2	179.9°	179.9°
N1	C1	N2	HN2	157.5°	0.1°
N1	C1	C2	C3	8.4°	179.9°
N1	C1	C2	C7	171.4°	0.1°
HN11	N1	C1	N2	180.0°	179.9°
HN11	N1	C1	C2	0.0°	0.0°
HN12	N1	C1	N2	54.8°	0.1°
HN12	N1	C1	C2	125.2°	179.9°
N2	C1	C2	C3	171.6°	0.0°
N2	C1	C2	C7	8.7°	179.9°
HN2	N2	C1	C2	22.5°	179.9°
C1	C2	C3	C7	179.8°	179.9°
C1	C2	C3	C4	178.6°	180.0°
C1	C2	C3	H3	1.5°	0.1°
C1	C2	C7	C6	177.9°	180.0°
C1	C2	C7	H7	2.1°	0.1°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	0.3°	0.1°
C2	C3	C4	N3	178.8°	179.9°
C3	C2	C7	C6	1.8°	0.1°
C3	C2	C7	H7	178.2°	179.9°
C7	C2	C3	C4	1.2°	0.1°
C7	C2	C3	H3	178.8°	179.9°
C2	C7	C6	C5	1.0°	0.1°
C2	C7	C6	H7	180.0°	179.9°
C2	C7	C6	H6	179.1°	180.0°
C3	C4	C5	N3	178.8°	180.0°
C3	C4	C5	C6	1.2°	0.0°
C3	C4	C5	N4	178.4°	179.7°
C3	C4	N3	C8	177.2°	180.0°
C3	C4	N3	HN3	2.8°	0.0°
H3	C3	C4	C5	179.8°	180.0°
H3	C3	C4	N3	1.3°	0.0°
C4	C5	C6	N4	179.4°	179.7°
C4	C5	C6	C7	0.5°	0.0°
C4	C5	C6	H6	179.4°	180.0°
C5	C4	N3	C8	1.4°	0.0°
C5	C4	N3	HN3	178.5°	180.0°
C4	C5	N4	C8	0.9°	0.5°
N3	C4	C5	C6	180.0°	180.0°
N3	C4	C5	N4	0.4°	0.3°
C4	N3	C8	HN3	179.9°	180.0°
C4	N3	C8	N4	2.0°	0.3°
C4	N3	C8	C9	177.9°	180.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	H7	179.0°	180.0°
C6	C5	N4	C8	178.6°	179.8°
N4	C5	C6	C7	178.9°	179.6°
N4	C5	C6	H6	1.1°	0.4°
C5	N4	C8	N3	1.8°	0.5°
C5	N4	C8	C9	178.2°	179.8°
H6	C6	C7	H7	1.0°	0.0°
N3	C8	N4	C9	180.0°	179.7°
N3	C8	C9	C10	8.0°	140.3°
N3	C8	C9	C14	175.6°	39.7°
HN3	N3	C8	N4	177.9°	179.7°
HN3	N3	C8	C9	2.1°	0.0°
N4	C8	C9	C10	172.0°	40.1°
N4	C8	C9	C14	4.4°	139.9°
C8	C9	C10	C14	176.3°	180.0°
C8	C9	C10	C11	172.6°	180.0°
C8	C9	C10	H10	7.3°	0.0°
C8	C9	C14	C13	172.4°	180.0°
C8	C9	C14	H14	7.5°	0.0°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	1.7°	0.0°
C9	C10	C11	N5	178.7°	180.0°
C10	C9	C14	C13	4.0°	0.0°
C10	C9	C14	H14	176.1°	180.0°
C14	C9	C10	C11	3.6°	0.0°
C14	C9	C10	H10	176.4°	179.9°
C9	C14	C13	C12	2.4°	0.0°
C9	C14	C13	H14	179.9°	180.0°
C9	C14	C13	H13	177.6°	180.0°
C10	C11	C12	N5	179.7°	179.9°
C10	C11	C12	C13	0.2°	0.1°
C10	C11	C12	N6	176.6°	179.7°
C10	C11	N5	C15	179.3°	180.0°
C10	C11	N5	HN5	0.8°	0.1°
H10	C10	C11	C12	178.3°	180.0°
H10	C10	C11	N5	1.2°	0.1°
C11	C12	C13	N6	176.0°	179.7°
C11	C12	C13	C14	0.6°	0.0°
C11	C12	C13	H13	179.4°	180.0°
C12	C11	N5	C15	0.3°	0.0°
C12	C11	N5	HN5	179.6°	180.0°
C11	C12	N6	C15	4.7°	0.4°
N5	C11	C12	C13	179.9°	180.0°
N5	C11	C12	N6	3.0°	0.2°
C11	N5	C15	HN5	180.0°	179.9°
C11	N5	C15	N6	2.7°	0.3°
C11	N5	C15	C16	171.9°	180.0°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	H14	177.7°	180.0°
C13	C12	N6	C15	179.0°	179.8°
N6	C12	C13	C14	175.5°	179.7°
N6	C12	C13	H13	4.6°	0.3°
C12	N6	C15	N5	4.5°	0.4°
C12	N6	C15	C16	170.1°	179.8°
H13	C13	C14	H14	2.4°	0.0°
N5	C15	N6	C16	174.6°	179.7°
N5	C15	C16	C17	15.7°	140.3°
N5	C15	C16	C21	164.6°	39.7°
HN5	N5	C15	N6	177.4°	179.8°
HN5	N5	C15	C16	8.1°	0.0°
N6	C15	C16	C17	158.1°	40.0°
N6	C15	C16	C21	21.7°	140.0°
C15	C16	C17	C21	179.7°	179.9°
C15	C16	C17	C18	178.2°	180.0°
C15	C16	C17	H17	1.8°	0.1°
C15	C16	C21	C20	178.3°	179.8°
C15	C16	C21	H21	1.7°	0.0°
C16	C17	C18	H17	180.0°	179.9°
C16	C17	C18	C19	1.7°	0.1°
C16	C17	C18	H18	178.2°	180.0°
C17	C16	C21	C20	2.0°	0.3°
C17	C16	C21	H21	178.0°	179.9°
C21	C16	C17	C18	2.1°	0.1°
C21	C16	C17	H17	177.9°	180.0°
C16	C21	C20	C19	1.9°	0.5°
C16	C21	C20	H21	180.0°	179.8°
C16	C21	C20	H20	178.1°	179.9°
C17	C18	C19	H18	179.9°	179.9°
C17	C18	C19	C20	5.5°	0.3°
C17	C18	C19	C22	171.3°	180.0°
H17	C17	C18	C19	178.3°	180.0°
H17	C17	C18	H18	1.7°	0.1°
C18	C19	C20	C22	176.9°	179.7°
C18	C19	C20	C21	5.6°	0.5°
C18	C19	C20	H20	174.3°	179.9°
C18	C19	C22	N7	23.1°	180.0°
C18	C19	C22	N8	158.0°	0.0°
H18	C18	C19	C20	174.4°	179.8°
H18	C18	C19	C22	8.7°	0.1°
C19	C20	C21	H20	180.0°	179.6°
C19	C20	C21	H21	178.1°	179.7°
C20	C19	C22	N7	153.8°	0.3°
C20	C19	C22	N8	25.1°	179.8°
C22	C19	C20	C21	171.2°	179.8°
C22	C19	C20	H20	8.8°	0.2°
C19	C22	N7	N8	178.9°	180.0°
C19	C22	N7	HN71	180.0°	180.0°
C19	C22	N7	HN72	54.7°	0.3°
C19	C22	N8	HN8	86.6°	0.0°
H20	C20	C21	H21	1.9°	0.1°
C22	N7	HN71	HN72	125.2°	179.7°
N7	C22	N8	HN8	92.3°	180.0°
N8	C22	N7	HN71	1.1°	0.0°
N8	C22	N7	HN72	126.4°	179.7°

Definition date:	1999-07-08
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	311D