HXL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	doub	1.38Å	1.33Å
N1	HN1	sing	0.97Å	1.00Å
N2	C1	sing	1.30Å	1.34Å
N2	HN21	sing	7.58Å	1.00Å
N2	HN22	sing	0.97Å	1.00Å
C1	C2	sing	1.48Å	1.53Å
C2	C3	sing	1.39Å	1.53Å	Aromatic
C2	C8	doub	1.40Å	1.56Å	Aromatic
C3	C4	doub	1.40Å	1.52Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	N3	sing	1.36Å	1.31Å	Aromatic
C4	C6	sing	1.41Å	1.49Å	Aromatic
N3	C5	doub	1.31Å	1.37Å	Aromatic
C5	N4	sing	1.37Å	1.39Å	Aromatic
C5	C9	sing	1.48Å	1.59Å	Aromatic
N4	C6	sing	1.38Å	1.42Å	Aromatic
N4	HN4	sing	0.97Å	1.00Å
C6	C7	doub	1.39Å	1.55Å	Aromatic
C7	C8	sing	1.37Å	1.55Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	C10	sing	1.40Å	1.49Å	Aromatic
C9	C14	doub	1.40Å	1.53Å	Aromatic
C10	C11	doub	1.38Å	1.50Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C11	C12	sing	1.39Å	1.54Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C12	C13	doub	1.39Å	1.55Å	Aromatic
C12	O1	sing	1.36Å	1.50Å
C13	C14	sing	1.38Å	1.55Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
O1	C15	sing	1.36Å	1.49Å
C15	C16	doub	1.39Å	1.52Å	Aromatic
C15	C20	sing	1.39Å	1.55Å	Aromatic
C16	C17	sing	1.38Å	1.50Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C17	C18	doub	1.40Å	1.50Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C18	C19	sing	1.40Å	1.56Å	Aromatic
C18	C21	sing	1.48Å	1.55Å
C19	C20	doub	1.38Å	1.56Å	Aromatic
C19	H19	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C21	N5	doub	1.30Å	1.35Å
C21	N6	sing	1.38Å	1.33Å
N5	HN5	sing	0.97Å	1.00Å
N6	HN61	sing	0.97Å	1.00Å
N6	HN62	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	HN1	110.1°	120.0°
N1	C1	N2	117.6°	120.0°
N1	C1	C2	122.9°	120.0°
C1	N2	HN21	125.0°	76.3°
C1	N2	HN22	110.0°	120.0°
N2	C1	C2	119.5°	120.0°
HN21	N2	HN22	125.0°	162.2°
C1	C2	C3	119.5°	119.9°
C1	C2	C8	122.8°	119.9°
C3	C2	C8	117.7°	120.3°
C2	C3	C4	120.4°	119.5°
C2	C3	H3	119.8°	120.3°
C2	C8	C7	120.8°	120.5°
C2	C8	H8	119.6°	119.8°
C4	C3	H3	119.8°	120.2°
C3	C4	N3	128.4°	133.3°
C3	C4	C6	122.9°	119.4°
N3	C4	C6	108.7°	107.2°
C4	N3	C5	109.3°	109.6°
C4	C6	N4	104.8°	106.1°
C4	C6	C7	118.8°	120.2°
N3	C5	N4	111.2°	109.8°
N3	C5	C9	122.8°	125.1°
N4	C5	C9	126.0°	125.1°
C5	N4	C6	106.0°	107.3°
C5	N4	HN4	127.0°	126.3°
C5	C9	C10	116.9°	120.1°
C5	C9	C14	123.5°	120.1°
C6	N4	HN4	127.0°	126.4°
N4	C6	C7	136.4°	133.7°
C6	C7	C8	119.4°	120.2°
C6	C7	H7	120.3°	119.9°
C8	C7	H7	120.3°	119.9°
C7	C8	H8	119.6°	119.8°
C10	C9	C14	119.6°	119.8°
C9	C10	C11	122.0°	119.9°
C9	C10	H10	119.0°	120.0°
C9	C14	C13	119.2°	120.0°
C9	C14	H14	120.4°	120.0°
C11	C10	H10	119.0°	120.0°
C10	C11	C12	121.9°	120.1°
C10	C11	H11	119.0°	120.0°
C12	C11	H11	119.1°	119.9°
C11	C12	C13	116.2°	120.1°
C11	C12	O1	123.1°	119.9°
C13	C12	O1	120.7°	119.9°
C12	C13	C14	121.1°	120.1°
C12	C13	H13	119.4°	119.9°
C12	O1	C15	137.7°	106.8°
C14	C13	H13	119.4°	120.0°
C13	C14	H14	120.4°	120.0°
O1	C15	C16	125.1°	119.9°
O1	C15	C20	117.7°	120.0°
C16	C15	C20	117.2°	120.1°
C15	C16	C17	122.6°	120.0°
C15	C16	H16	118.7°	120.0°
C15	C20	C19	119.9°	120.1°
C15	C20	H20	120.0°	120.0°
C17	C16	H16	118.7°	119.9°
C16	C17	C18	123.0°	119.9°
C16	C17	H17	118.5°	120.0°
C18	C17	H17	118.5°	120.0°
C17	C18	C19	116.7°	119.8°
C17	C18	C21	118.6°	120.1°
C19	C18	C21	124.7°	120.1°
C18	C19	C20	120.7°	119.9°
C18	C19	H19	119.7°	120.1°
C18	C21	N5	120.7°	120.0°
C18	C21	N6	121.0°	120.0°
C20	C19	H19	119.7°	120.0°
C19	C20	H20	120.0°	119.9°
N5	C21	N6	118.3°	120.0°
C21	N5	HN5	107.8°	120.0°
C21	N6	HN61	126.1°	120.0°
C21	N6	HN62	107.9°	120.0°
HN61	N6	HN62	126.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	N2	C2	179.8°	180.0°
N1	C1	N2	HN21	0.0°	172.4°
N1	C1	N2	HN22	180.0°	0.1°
N1	C1	C2	C3	78.8°	179.9°
N1	C1	C2	C8	101.3°	0.0°
HN1	N1	C1	N2	0.0°	0.1°
HN1	N1	C1	C2	179.7°	179.9°
C1	N2	HN21	HN22	180.0°	157.6°
N2	C1	C2	C3	101.0°	0.0°
N2	C1	C2	C8	79.0°	180.0°
HN21	N2	C1	C2	179.8°	7.6°
HN22	N2	C1	C2	0.2°	179.9°
C1	C2	C3	C8	179.9°	180.0°
C1	C2	C3	C4	179.9°	180.0°
C1	C2	C3	H3	0.1°	0.0°
C1	C2	C8	C7	179.9°	180.0°
C1	C2	C8	H8	0.1°	0.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	N3	180.0°	179.7°
C2	C3	C4	C6	0.0°	0.1°
C3	C2	C8	C7	0.0°	0.0°
C3	C2	C8	H8	180.0°	179.9°
C8	C2	C3	C4	0.0°	0.0°
C8	C2	C3	H3	180.0°	180.0°
C2	C8	C7	C6	0.0°	0.0°
C2	C8	C7	H8	180.0°	179.9°
C2	C8	C7	H7	180.0°	180.0°
C3	C4	N3	C6	180.0°	179.8°
C3	C4	N3	C5	179.9°	179.8°
C3	C4	C6	N4	179.8°	179.9°
C3	C4	C6	C7	0.1°	0.0°
H3	C3	C4	N3	0.0°	0.3°
H3	C3	C4	C6	180.0°	180.0°
C4	N3	C5	N4	0.0°	0.4°
C4	N3	C5	C9	179.9°	179.9°
N3	C4	C6	N4	0.1°	0.2°
N3	C4	C6	C7	179.9°	179.8°
C6	C4	N3	C5	0.1°	0.4°
C4	C6	N4	C5	0.1°	0.0°
C4	C6	N4	C7	179.9°	180.0°
C4	C6	N4	HN4	179.9°	179.9°
C4	C6	C7	C8	0.1°	0.0°
C4	C6	C7	H7	179.9°	180.0°
N3	C5	N4	C9	180.0°	179.7°
N3	C5	N4	C6	0.1°	0.2°
N3	C5	N4	HN4	179.9°	179.7°
N3	C5	C9	C10	0.2°	40.1°
N3	C5	C9	C14	179.8°	140.0°
C5	N4	C6	HN4	180.0°	179.9°
C5	N4	C6	C7	180.0°	180.0°
N4	C5	C9	C10	179.8°	140.3°
N4	C5	C9	C14	0.2°	39.7°
C9	C5	N4	C6	180.0°	179.9°
C9	C5	N4	HN4	0.1°	0.0°
C5	C9	C10	C14	180.0°	179.9°
C5	C9	C10	C11	180.0°	180.0°
C5	C9	C10	H10	0.1°	0.1°
C5	C9	C14	C13	179.9°	179.7°
C5	C9	C14	H14	0.1°	0.0°
N4	C6	C7	C8	179.8°	180.0°
N4	C6	C7	H7	0.1°	0.0°
HN4	N4	C6	C7	0.1°	0.1°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	H8	180.0°	180.0°
H7	C7	C8	H8	0.0°	0.1°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.0°	0.1°
C9	C10	C11	H11	180.0°	180.0°
C10	C9	C14	C13	0.1°	0.2°
C10	C9	C14	H14	179.9°	180.0°
C14	C9	C10	C11	0.0°	0.1°
C14	C9	C10	H10	179.9°	180.0°
C9	C14	C13	C12	0.1°	0.5°
C9	C14	C13	H14	180.0°	179.8°
C9	C14	C13	H13	179.9°	180.0°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	0.0°	0.2°
C10	C11	C12	O1	179.9°	180.0°
H10	C10	C11	C12	180.0°	180.0°
H10	C10	C11	H11	0.0°	0.0°
C11	C12	C13	O1	179.9°	179.8°
C11	C12	C13	C14	0.0°	0.5°
C11	C12	C13	H13	180.0°	180.0°
C11	C12	O1	C15	13.1°	93.4°
H11	C11	C12	C13	180.0°	179.8°
H11	C11	C12	O1	0.1°	0.0°
C12	C13	C14	H13	180.0°	179.6°
C12	C13	C14	H14	179.9°	179.8°
C13	C12	O1	C15	167.0°	86.8°
O1	C12	C13	C14	179.9°	179.8°
O1	C12	C13	H13	0.1°	0.2°
C12	O1	C15	C16	20.1°	5.5°
C12	O1	C15	C20	159.9°	174.4°
H13	C13	C14	H14	0.1°	0.2°
O1	C15	C16	C20	180.0°	180.0°
O1	C15	C16	C17	179.9°	180.0°
O1	C15	C16	H16	0.1°	0.1°
O1	C15	C20	C19	179.9°	179.7°
O1	C15	C20	H20	0.2°	0.1°
C15	C16	C17	H16	180.0°	179.9°
C15	C16	C17	C18	0.0°	0.0°
C15	C16	C17	H17	180.0°	180.0°
C16	C15	C20	C19	0.1°	0.3°
C16	C15	C20	H20	179.9°	180.0°
C20	C15	C16	C17	0.1°	0.0°
C20	C15	C16	H16	179.9°	180.0°
C15	C20	C19	C18	0.0°	0.6°
C15	C20	C19	H20	180.0°	179.7°
C15	C20	C19	H19	180.0°	180.0°
C16	C17	C18	H17	180.0°	179.9°
C16	C17	C18	C19	0.1°	0.3°
C16	C17	C18	C21	179.8°	180.0°
H16	C16	C17	C18	180.0°	180.0°
H16	C16	C17	H17	0.0°	0.1°
C17	C18	C19	C21	179.9°	179.7°
C17	C18	C19	C20	0.1°	0.6°
C17	C18	C19	H19	179.9°	179.9°
C17	C18	C21	N5	18.1°	0.1°
C17	C18	C21	N6	162.3°	180.0°
H17	C17	C18	C19	179.9°	179.8°
H17	C17	C18	C21	0.2°	0.1°
C18	C19	C20	H19	180.0°	179.5°
C18	C19	C20	H20	179.9°	179.7°
C19	C18	C21	N5	161.8°	179.8°
C19	C18	C21	N6	17.9°	0.3°
C21	C18	C19	C20	179.8°	179.7°
C21	C18	C19	H19	0.2°	0.3°
C18	C21	N5	N6	179.6°	179.9°
C18	C21	N5	HN5	180.0°	0.1°
C18	C21	N6	HN61	179.8°	180.0°
C18	C21	N6	HN62	0.2°	0.3°
H19	C19	C20	H20	0.1°	0.3°
N5	C21	N6	HN61	0.2°	0.1°
N5	C21	N6	HN62	179.8°	179.7°
N6	C21	N5	HN5	0.4°	180.0°
C21	N6	HN61	HN62	180.0°	179.7°

Definition date:	2006-01-11
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2FJV