FKQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	C15	doub	1.38Å	1.38Å	Aromatic
C16	C17	sing	1.38Å	1.38Å	Aromatic
C15	C14	sing	1.38Å	1.39Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C9	C8	sing	1.53Å	1.52Å
C9	C10	sing	1.53Å	1.53Å
C14	C13	doub	1.38Å	1.39Å	Aromatic
C18	C13	sing	1.38Å	1.39Å	Aromatic
C8	N2	sing	1.47Å	1.47Å
C13	C10	sing	1.51Å	1.53Å
O3	C7	doub	1.22Å	1.22Å
C10	O4	sing	1.43Å	1.43Å
C10	C11	sing	1.53Å	1.53Å
C7	N2	sing	1.35Å	1.34Å
C7	C4	sing	1.48Å	1.50Å
N2	C12	sing	1.47Å	1.47Å
C11	C12	sing	1.53Å	1.52Å
C4	C3	doub	1.40Å	1.39Å	Aromatic
C4	C5	sing	1.40Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.38Å	1.39Å	Aromatic
C6	C1	sing	1.38Å	1.39Å	Aromatic
C1	S1	sing	1.76Å	1.77Å
O2	S1	doub	1.42Å	1.43Å
S1	O1	doub	1.42Å	1.43Å
S1	N1	sing	1.66Å	1.60Å
C3	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
O4	H13	sing	0.97Å	0.95Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
N1	H19	sing	0.97Å	1.00Å
N1	H20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	C16	C17	119.7°	120.0°
C16	C15	C14	120.1°	120.0°
C16	C15	H15	119.9°	120.0°
C15	C16	H16	120.1°	120.1°
C16	C17	C18	120.1°	120.0°
C17	C16	H16	120.1°	119.9°
C16	C17	H17	119.9°	120.0°
C15	C14	C13	121.0°	120.0°
C15	C14	H14	119.5°	120.0°
C14	C15	H15	119.9°	120.0°
C17	C18	C13	120.9°	120.0°
C18	C17	H17	119.9°	120.0°
C17	C18	H18	119.5°	120.0°
C8	C9	C10	111.3°	109.2°
C9	C8	N2	111.4°	108.8°
C9	C8	H9	109.0°	109.6°
C9	C8	H10	109.0°	109.7°
C8	C9	H11	109.0°	109.5°
C8	C9	H12	109.0°	109.5°
C9	C10	C13	111.5°	109.4°
C9	C10	O4	107.3°	109.5°
C9	C10	C11	108.2°	109.7°
C10	C9	H11	109.0°	109.6°
C10	C9	H12	109.0°	109.4°
C14	C13	C18	118.1°	120.0°
C14	C13	C10	121.1°	120.0°
C13	C14	H14	119.5°	120.0°
C18	C13	C10	120.8°	120.0°
C13	C18	H18	119.6°	120.0°
C8	N2	C7	119.6°	120.6°
C8	N2	C12	111.0°	118.7°
N2	C8	H9	109.0°	109.6°
N2	C8	H10	109.0°	109.6°
C13	C10	O4	110.7°	109.5°
C13	C10	C11	111.5°	109.6°
O3	C7	N2	121.9°	120.0°
O3	C7	C4	119.6°	120.0°
O4	C10	C11	107.4°	109.2°
C10	O4	H13	109.5°	114.0°
C10	C11	C12	111.3°	109.3°
C10	C11	H7	109.0°	109.5°
C10	C11	H8	109.0°	109.5°
N2	C7	C4	118.5°	120.0°
C7	N2	C12	121.0°	120.7°
C7	C4	C3	120.4°	120.1°
C7	C4	C5	120.7°	120.2°
N2	C12	C11	111.6°	108.8°
N2	C12	H5	108.9°	109.5°
N2	C12	H6	108.9°	109.6°
C11	C12	H5	108.9°	109.6°
C11	C12	H6	108.9°	109.8°
C12	C11	H7	109.0°	109.6°
C12	C11	H8	109.0°	109.5°
C3	C4	C5	118.9°	119.7°
C4	C3	C2	120.8°	119.9°
C4	C3	H1	119.6°	120.1°
C4	C5	C6	120.9°	119.9°
C4	C5	H4	119.6°	120.0°
C3	C2	C1	119.6°	120.1°
C2	C3	H1	119.6°	120.0°
C3	C2	H2	120.2°	119.9°
C5	C6	C1	119.4°	120.1°
C5	C6	H3	120.3°	119.9°
C6	C5	H4	119.6°	120.1°
C2	C1	C6	120.5°	120.3°
C2	C1	S1	119.6°	119.8°
C1	C2	H2	120.2°	120.0°
C6	C1	S1	119.9°	119.8°
C1	C6	H3	120.3°	120.0°
C1	S1	O2	107.2°	106.4°
C1	S1	O1	107.1°	106.4°
C1	S1	N1	108.7°	107.2°
O2	S1	O1	118.4°	123.2°
O2	S1	N1	107.4°	106.4°
O1	S1	N1	107.6°	106.4°
S1	N1	H19	109.5°	120.1°
S1	N1	H20	109.5°	120.0°
H5	C12	H6	109.5°	109.6°
H7	C11	H8	109.5°	109.5°
H9	C8	H10	109.5°	109.6°
H11	C9	H12	109.5°	109.6°
H19	N1	H20	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	C16	C17	H16	180.0°	180.0°
C16	C15	C14	H15	180.0°	179.9°
C15	C16	C17	C18	0.0°	0.2°
C16	C15	C14	C13	0.0°	0.1°
C16	C15	C14	H14	180.0°	180.0°
C15	C16	C17	H17	180.0°	180.0°
C17	C16	C15	C14	0.0°	0.1°
C16	C17	C18	H17	180.0°	179.8°
C16	C17	C18	C13	0.0°	0.5°
C17	C16	C15	H15	180.0°	180.0°
C16	C17	C18	H18	180.0°	180.0°
C15	C14	C13	H14	180.0°	179.9°
C15	C14	C13	C18	0.0°	0.2°
C15	C14	C13	C10	179.8°	180.0°
C14	C15	C16	H16	180.0°	179.9°
C17	C18	C13	C14	0.0°	0.5°
C17	C18	C13	H18	180.0°	179.4°
C17	C18	C13	C10	179.8°	179.7°
C18	C17	C16	H16	180.0°	179.8°
C8	C9	C10	H11	120.2°	120.0°
C8	C9	C10	H12	120.3°	119.9°
C9	C8	N2	H9	120.3°	119.8°
C9	C8	N2	H10	120.3°	119.9°
C8	C9	C10	C13	178.3°	178.6°
C8	C9	C10	O4	60.3°	58.7°
C8	C9	C10	C11	55.3°	61.1°
C9	C8	N2	C7	91.2°	126.4°
C9	C8	N2	C12	57.4°	53.9°
C9	C8	H9	H10	119.1°	120.4°
C8	C9	H11	H12	119.2°	120.1°
C9	C10	C13	C14	62.5°	150.0°
C9	C10	C13	C18	117.8°	29.7°
C10	C9	C8	N2	57.4°	54.6°
C9	C10	C13	O4	119.4°	120.0°
C9	C10	C13	C11	121.1°	120.3°
C9	C10	O4	C11	116.2°	120.1°
C9	C10	C11	C12	55.1°	61.2°
C9	C10	C11	H7	175.4°	58.8°
C9	C10	C11	H8	65.2°	178.9°
C10	C9	C8	H9	177.7°	65.3°
C10	C9	C8	H10	62.9°	174.4°
C10	C9	H11	H12	119.2°	120.1°
C9	C10	O4	H13	180.0°	180.0°
C14	C13	C18	C10	179.8°	179.8°
C14	C13	C10	O4	178.1°	30.1°
C14	C13	C10	C11	58.6°	89.7°
C13	C14	C15	H15	180.0°	180.0°
C14	C13	C18	H18	180.0°	180.0°
C18	C13	C10	O4	1.7°	149.7°
C18	C13	C10	C11	121.1°	90.6°
C18	C13	C14	H14	180.0°	179.7°
C13	C18	C17	H17	180.0°	179.6°
C8	N2	C7	O3	4.2°	174.4°
C8	N2	C7	C12	145.3°	179.7°
C8	N2	C7	C4	178.5°	5.5°
C8	N2	C12	C11	57.2°	53.9°
C8	N2	C12	H5	177.5°	173.7°
C8	N2	C12	H6	63.1°	66.1°
N2	C8	H9	H10	119.1°	120.3°
N2	C8	C9	H11	177.7°	174.6°
N2	C8	C9	H12	62.8°	65.2°
C13	C10	O4	C11	121.9°	120.0°
C13	C10	C11	C12	178.1°	178.7°
C13	C10	C11	H7	61.6°	61.3°
C13	C10	C11	H8	57.9°	58.7°
C13	C10	C9	H11	61.5°	58.7°
C13	C10	C9	H12	58.0°	61.5°
C13	C10	O4	H13	58.1°	60.1°
C10	C13	C14	H14	0.2°	0.1°
C10	C13	C18	H18	0.2°	0.3°
O3	C7	N2	C4	177.3°	180.0°
O3	C7	N2	C12	149.5°	5.9°
O3	C7	C4	C3	38.3°	41.2°
O3	C7	C4	C5	140.2°	138.3°
O4	C10	C11	C12	60.5°	58.8°
O4	C10	C11	H7	59.8°	178.8°
O4	C10	C11	H8	179.3°	61.2°
O4	C10	C9	H11	59.9°	61.3°
O4	C10	C9	H12	179.4°	178.5°
C10	C11	C12	N2	57.1°	54.7°
C10	C11	C12	H7	120.3°	120.0°
C10	C11	C12	H8	120.3°	119.9°
C10	C11	C12	H5	177.4°	174.4°
C10	C11	C12	H6	63.2°	65.2°
C10	C11	H7	H8	119.2°	120.1°
C11	C10	C9	H11	175.5°	178.9°
C11	C10	C9	H12	65.0°	58.7°
C11	C10	O4	H13	63.8°	59.9°
C7	N2	C12	C11	90.8°	126.4°
N2	C7	C4	C3	144.3°	138.8°
N2	C7	C4	C5	37.1°	41.7°
C7	N2	C12	H5	29.5°	6.6°
C7	N2	C12	H6	148.9°	113.6°
C7	N2	C8	H9	29.1°	113.8°
C7	N2	C8	H10	148.5°	6.5°
C4	C7	N2	C12	33.1°	174.1°
C7	C4	C3	C5	178.6°	179.5°
C7	C4	C3	C2	178.8°	179.9°
C7	C4	C5	C6	178.8°	179.9°
C7	C4	C3	H1	1.2°	0.3°
C7	C4	C5	H4	1.2°	0.2°
N2	C12	C11	H5	120.3°	119.7°
N2	C12	C11	H6	120.3°	119.9°
N2	C12	H5	H6	119.0°	120.3°
N2	C12	C11	H7	177.4°	65.3°
N2	C12	C11	H8	63.2°	174.7°
C12	N2	C8	H9	177.7°	65.9°
C12	N2	C8	H10	63.0°	173.8°
C11	C12	H5	H6	119.0°	120.5°
C12	C11	H7	H8	119.1°	120.1°
C4	C3	C2	H1	180.0°	179.7°
C3	C4	C5	C6	0.2°	0.6°
C4	C3	C2	C1	0.2°	0.3°
C4	C3	C2	H2	179.8°	179.8°
C3	C4	C5	H4	179.8°	179.7°
C5	C4	C3	C2	0.1°	0.6°
C4	C5	C6	H4	180.0°	179.7°
C4	C5	C6	C1	0.0°	0.3°
C5	C4	C3	H1	179.8°	179.8°
C4	C5	C6	H3	180.0°	179.8°
C3	C2	C1	H2	180.0°	179.9°
C3	C2	C1	C6	0.4°	0.1°
C3	C2	C1	S1	178.1°	180.0°
C5	C6	C1	C2	0.3°	0.1°
C5	C6	C1	H3	180.0°	179.9°
C5	C6	C1	S1	178.2°	180.0°
C2	C1	C6	S1	178.5°	179.9°
C2	C1	S1	O2	62.0°	23.6°
C2	C1	S1	O1	66.1°	156.5°
C2	C1	S1	N1	177.9°	90.0°
C1	C2	C3	H1	179.8°	180.0°
C2	C1	C6	H3	179.7°	180.0°
C6	C1	S1	O2	119.5°	156.5°
C6	C1	S1	O1	112.4°	23.6°
C6	C1	S1	N1	3.6°	90.0°
C6	C1	C2	H2	179.6°	179.9°
C1	C6	C5	H4	180.0°	179.9°
C1	S1	O2	O1	121.3°	122.9°
C1	S1	O2	N1	116.7°	114.1°
C1	S1	O1	N1	116.8°	114.1°
S1	C1	C2	H2	1.9°	0.1°
S1	C1	C6	H3	1.8°	0.1°
C1	S1	N1	H19	180.0°	0.0°
C1	S1	N1	H20	60.0°	179.9°
O2	S1	O1	N1	121.9°	123.0°
O2	S1	N1	H19	64.3°	113.6°
O2	S1	N1	H20	55.7°	66.5°
O1	S1	N1	H19	64.3°	113.5°
O1	S1	N1	H20	175.8°	66.4°
S1	N1	H19	H20	120.0°	179.9°
H1	C3	C2	H2	0.2°	0.1°
H3	C6	C5	H4	0.0°	0.0°
H5	C12	C11	H7	62.3°	54.4°
H5	C12	C11	H8	57.1°	65.6°
H6	C12	C11	H7	57.1°	174.8°
H6	C12	C11	H8	176.5°	54.7°
H9	C8	C9	H11	62.0°	54.7°
H9	C8	C9	H12	57.5°	174.9°
H10	C8	C9	H11	57.4°	65.6°
H10	C8	C9	H12	176.9°	54.6°
H14	C14	C15	H15	0.0°	0.1°
H15	C15	C16	H16	0.0°	0.0°
H16	C16	C17	H17	0.0°	0.1°
H17	C17	C18	H18	0.0°	0.2°

Release date:	2018-12-19
Definition date:	2018-07-18
Last modified:	2018-12-14
Release status:	REL
Processing site:	RCSB
Derived from:	6H37