FKE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C9	sing	1.53Å	1.52Å
C8	N2	sing	1.47Å	1.47Å
O3	C7	doub	1.21Å	1.22Å
C9	C10	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
C14	C15	doub	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.38Å	1.39Å	Aromatic
C10	C13	sing	1.51Å	1.53Å
C10	C11	sing	1.53Å	1.53Å
C15	C16	sing	1.38Å	1.38Å	Aromatic
C13	C18	doub	1.38Å	1.39Å	Aromatic
C4	C5	doub	1.40Å	1.39Å	Aromatic
C4	C3	sing	1.40Å	1.39Å	Aromatic
C12	C11	sing	1.53Å	1.52Å
C5	C6	sing	1.38Å	1.38Å	Aromatic
C3	C2	doub	1.38Å	1.38Å	Aromatic
C16	C17	doub	1.38Å	1.38Å	Aromatic
C18	C17	sing	1.38Å	1.39Å	Aromatic
C6	C1	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.39Å	Aromatic
C1	S1	sing	1.76Å	1.77Å
N1	S1	sing	1.66Å	1.60Å
O2	S1	doub	1.42Å	1.43Å
S1	O1	doub	1.42Å	1.43Å
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
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)
C9	C8	N2	111.7°	108.8°
C8	C9	C10	111.2°	109.3°
C9	C8	H5	108.9°	109.6°
C9	C8	H6	108.9°	109.6°
C8	C9	H7	109.1°	109.5°
C8	C9	H8	109.0°	109.5°
C8	N2	C7	120.0°	120.6°
C8	N2	C12	111.5°	118.8°
N2	C8	H5	108.9°	109.6°
N2	C8	H6	108.9°	109.6°
O3	C7	N2	122.2°	120.0°
O3	C7	C4	119.8°	120.0°
C9	C10	C13	111.5°	109.4°
C9	C10	C11	107.9°	109.6°
C10	C9	H7	109.0°	109.5°
C10	C9	H8	109.0°	109.5°
C9	C10	H9	108.7°	109.5°
N2	C7	C4	118.0°	120.0°
C7	N2	C12	120.8°	120.6°
C7	C4	C5	120.4°	120.1°
C7	C4	C3	120.6°	120.1°
N2	C12	C11	111.7°	108.8°
N2	C12	H12	108.9°	109.6°
N2	C12	H13	108.9°	109.8°
C15	C14	C13	120.9°	120.0°
C14	C15	C16	120.2°	120.0°
C15	C14	H14	119.5°	120.0°
C14	C15	H15	119.9°	120.0°
C14	C13	C10	121.0°	120.0°
C14	C13	C18	118.1°	120.0°
C13	C14	H14	119.5°	120.0°
C13	C10	C11	111.3°	109.4°
C10	C13	C18	120.8°	120.0°
C13	C10	H9	108.7°	109.4°
C10	C11	C12	111.1°	109.3°
C11	C10	H9	108.7°	109.5°
C10	C11	H10	109.0°	109.5°
C10	C11	H11	109.1°	109.5°
C15	C16	C17	119.7°	120.0°
C16	C15	H15	119.9°	120.0°
C15	C16	H16	120.1°	120.0°
C13	C18	C17	121.0°	119.9°
C13	C18	H18	119.5°	120.0°
C5	C4	C3	118.9°	119.8°
C4	C5	C6	120.7°	119.8°
C4	C5	H3	119.7°	120.1°
C4	C3	C2	120.8°	119.9°
C4	C3	H2	119.6°	120.1°
C12	C11	H10	109.1°	109.5°
C12	C11	H11	109.1°	109.5°
C11	C12	H12	108.9°	109.6°
C11	C12	H13	108.9°	109.6°
C5	C6	C1	119.6°	120.2°
C6	C5	H3	119.6°	120.1°
C5	C6	H4	120.2°	119.8°
C3	C2	C1	119.4°	120.1°
C3	C2	H1	120.3°	119.9°
C2	C3	H2	119.6°	120.1°
C16	C17	C18	120.1°	120.0°
C17	C16	H16	120.2°	120.0°
C16	C17	H17	119.9°	120.0°
C18	C17	H17	120.0°	120.0°
C17	C18	H18	119.5°	120.0°
C6	C1	C2	120.5°	120.3°
C6	C1	S1	119.7°	119.8°
C1	C6	H4	120.2°	120.0°
C2	C1	S1	119.8°	119.8°
C1	C2	H1	120.3°	120.0°
C1	S1	N1	108.5°	107.2°
C1	S1	O2	107.5°	106.4°
C1	S1	O1	107.1°	106.4°
N1	S1	O2	107.5°	106.4°
N1	S1	O1	107.5°	106.4°
S1	N1	H19	109.5°	120.0°
S1	N1	H20	109.5°	120.0°
O2	S1	O1	118.4°	123.1°
H5	C8	H6	109.5°	109.7°
H7	C9	H8	109.4°	109.6°
H10	C11	H11	109.4°	109.5°
H12	C12	H13	109.4°	109.6°
H19	N1	H20	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	N2	H5	120.3°	119.8°
C9	C8	N2	H6	120.3°	119.8°
C8	C9	C10	H7	120.3°	119.9°
C8	C9	C10	H8	120.3°	119.9°
C9	C8	N2	C7	93.4°	126.4°
C9	C8	N2	C12	56.0°	53.6°
C8	C9	C10	C13	178.7°	178.6°
C8	C9	C10	C11	56.2°	61.4°
C9	C8	H5	H6	119.0°	120.3°
C8	C9	H7	H8	119.2°	120.1°
C8	C9	C10	H9	61.5°	58.7°
C8	N2	C7	O3	11.2°	174.1°
N2	C8	C9	C10	57.0°	54.6°
C8	N2	C7	C12	146.6°	179.9°
C8	N2	C7	C4	166.3°	5.9°
C8	N2	C12	C11	56.2°	53.6°
N2	C8	H5	H6	119.0°	120.4°
N2	C8	C9	H7	177.3°	174.6°
N2	C8	C9	H8	63.3°	65.3°
C8	N2	C12	H12	176.5°	66.2°
C8	N2	C12	H13	64.2°	173.4°
O3	C7	N2	C4	177.5°	180.0°
O3	C7	N2	C12	135.4°	5.8°
O3	C7	C4	C5	149.2°	41.1°
O3	C7	C4	C3	29.3°	138.6°
C9	C10	C13	C14	19.1°	60.3°
C9	C10	C13	C11	120.5°	120.1°
C9	C10	C13	H9	119.8°	119.9°
C9	C10	C11	H9	117.7°	120.1°
C9	C10	C13	C18	158.6°	120.0°
C9	C10	C11	C12	56.3°	61.4°
C10	C9	C8	H5	177.3°	174.4°
C10	C9	C8	H6	63.3°	65.2°
C10	C9	H7	H8	119.2°	120.1°
C9	C10	C11	H10	176.5°	178.7°
C9	C10	C11	H11	64.0°	58.6°
N2	C7	C4	C5	28.3°	138.9°
N2	C7	C4	C3	153.1°	41.4°
C7	N2	C12	C11	93.0°	126.3°
C7	N2	C8	H5	26.9°	6.6°
C7	N2	C8	H6	146.2°	113.9°
C7	N2	C12	H12	27.4°	113.9°
C7	N2	C12	H13	146.7°	6.5°
C4	C7	N2	C12	47.1°	174.2°
C7	C4	C5	C3	178.6°	179.8°
C7	C4	C5	C6	178.3°	180.0°
C7	C4	C3	C2	178.2°	179.7°
C7	C4	C3	H2	1.9°	0.2°
C7	C4	C5	H3	1.7°	0.2°
N2	C12	C11	C10	57.3°	54.6°
N2	C12	C11	H12	120.3°	119.8°
N2	C12	C11	H13	120.4°	120.0°
C12	N2	C8	H5	176.3°	173.4°
C12	N2	C8	H6	64.4°	66.2°
N2	C12	C11	H10	177.5°	174.5°
N2	C12	C11	H11	63.0°	65.4°
N2	C12	H12	H13	119.0°	120.5°
C15	C14	C13	H14	180.0°	180.0°
C15	C14	C13	C10	177.4°	180.0°
C14	C15	C16	H15	180.0°	180.0°
C15	C14	C13	C18	0.4°	0.2°
C14	C15	C16	C17	0.2°	0.0°
C14	C15	C16	H16	179.8°	179.9°
C14	C13	C10	C18	177.7°	179.8°
C14	C13	C10	C11	101.4°	59.8°
C13	C14	C15	C16	0.1°	0.0°
C14	C13	C18	C17	0.4°	0.5°
C14	C13	C10	H9	138.9°	179.8°
C13	C14	C15	H15	179.9°	180.0°
C14	C13	C18	H18	179.6°	179.8°
C13	C10	C11	H9	119.7°	119.9°
C13	C10	C11	C12	178.9°	178.6°
C10	C13	C18	C17	177.4°	179.8°
C13	C10	C9	H7	61.1°	58.7°
C13	C10	C9	H8	58.4°	61.5°
C13	C10	C11	H10	60.9°	58.7°
C13	C10	C11	H11	58.6°	61.4°
C10	C13	C14	H14	2.6°	0.0°
C10	C13	C18	H18	2.6°	0.0°
C11	C10	C13	C18	80.9°	119.9°
C10	C11	C12	H10	120.2°	119.9°
C10	C11	C12	H11	120.3°	120.0°
C11	C10	C9	H7	176.4°	178.7°
C11	C10	C9	H8	64.1°	58.5°
C10	C11	H10	H11	119.2°	120.1°
C10	C11	C12	H12	177.6°	65.2°
C10	C11	C12	H13	63.0°	174.6°
C15	C16	C17	H16	180.0°	179.9°
C15	C16	C17	C18	0.2°	0.2°
C16	C15	C14	H14	179.9°	180.0°
C15	C16	C17	H17	179.7°	180.0°
C13	C18	C17	C16	0.1°	0.5°
C13	C18	C17	H18	180.0°	179.8°
C18	C13	C10	H9	38.8°	0.0°
C18	C13	C14	H14	179.6°	179.7°
C13	C18	C17	H17	180.0°	179.7°
C4	C5	C6	H3	180.0°	179.8°
C5	C4	C3	C2	0.4°	0.0°
C4	C5	C6	C1	0.1°	0.5°
C5	C4	C3	H2	179.6°	180.0°
C4	C5	C6	H4	179.9°	180.0°
C3	C4	C5	C6	0.3°	0.2°
C4	C3	C2	H2	180.0°	179.9°
C4	C3	C2	C1	0.1°	0.0°
C4	C3	C2	H1	179.9°	180.0°
C3	C4	C5	H3	179.7°	180.0°
C12	C11	C10	H9	61.4°	58.7°
C12	C11	H10	H11	119.3°	120.1°
C11	C12	H12	H13	119.0°	120.2°
C5	C6	C1	H4	180.0°	179.5°
C5	C6	C1	C2	0.5°	0.5°
C5	C6	C1	S1	176.8°	179.8°
C3	C2	C1	C6	0.4°	0.3°
C3	C2	C1	H1	180.0°	180.0°
C3	C2	C1	S1	176.9°	180.0°
C16	C17	C18	H17	180.0°	179.8°
C17	C16	C15	H15	179.8°	180.0°
C16	C17	C18	H18	179.9°	179.8°
C18	C17	C16	H16	179.8°	179.8°
C6	C1	C2	S1	177.2°	179.7°
C6	C1	S1	N1	42.0°	90.3°
C6	C1	S1	O2	158.0°	156.2°
C6	C1	S1	O1	73.8°	23.2°
C6	C1	C2	H1	179.6°	179.8°
C1	C6	C5	H3	179.9°	179.7°
C2	C1	S1	N1	135.3°	90.0°
C2	C1	S1	O2	19.3°	23.5°
C2	C1	S1	O1	108.9°	156.4°
C1	C2	C3	H2	179.9°	179.9°
C2	C1	C6	H4	179.5°	180.0°
C1	S1	N1	O2	116.0°	113.6°
C1	S1	N1	O1	115.6°	113.5°
C1	S1	O2	O1	121.4°	122.9°
S1	C1	C2	H1	3.1°	0.1°
S1	C1	C6	H4	3.2°	0.3°
C1	S1	N1	H19	180.0°	0.0°
C1	S1	N1	H20	60.0°	180.0°
N1	S1	O2	O1	121.9°	123.0°
S1	N1	H19	H20	120.0°	180.0°
O2	S1	N1	H19	64.0°	113.5°
O2	S1	N1	H20	56.0°	66.4°
O1	S1	N1	H19	64.4°	113.6°
O1	S1	N1	H20	175.6°	66.5°
H1	C2	C3	H2	0.1°	0.0°
H3	C5	C6	H4	0.1°	0.2°
H5	C8	C9	H7	62.4°	65.6°
H5	C8	C9	H8	57.1°	54.5°
H6	C8	C9	H7	56.9°	54.8°
H6	C8	C9	H8	176.4°	174.9°
H7	C9	C10	H9	58.7°	61.2°
H8	C9	C10	H9	178.2°	178.6°
H9	C10	C11	H10	58.8°	61.2°
H9	C10	C11	H11	178.3°	178.6°
H10	C11	C12	H12	62.1°	54.8°
H10	C11	C12	H13	57.2°	65.5°
H11	C11	C12	H12	57.4°	174.9°
H11	C11	C12	H13	176.7°	54.6°
H14	C14	C15	H15	0.1°	0.0°
H15	C15	C16	H16	0.2°	0.1°
H16	C16	C17	H17	0.2°	0.0°
H17	C17	C18	H18	0.0°	0.0°

Release date:	2018-12-19
Definition date:	2018-07-17
Last modified:	2018-12-14
Release status:	REL
Processing site:	RCSB
Derived from:	6H2Z