FYJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C6	doub	1.21Å	1.26Å
O6	C6	sing	1.34Å	1.27Å
O4	C4	sing	1.43Å	1.46Å
C6	C5	sing	1.51Å	1.53Å
C4	C5	sing	1.53Å	1.50Å
C4	C3	sing	1.53Å	1.50Å
C5	O5	sing	1.43Å	1.44Å
O3	C3	sing	1.43Å	1.42Å
O5	C1	sing	1.43Å	1.48Å
C3	C2	sing	1.53Å	1.49Å
C2	C1	sing	1.53Å	1.54Å
C2	O2	sing	1.43Å	1.42Å
C1	S13	sing	1.81Å	1.85Å
C15	C16	doub	1.38Å	1.43Å	Aromatic
C15	C14	sing	1.39Å	1.39Å	Aromatic
S13	C14	sing	1.76Å	1.85Å
C16	C17	sing	1.38Å	1.36Å	Aromatic
C14	C19	doub	1.39Å	1.38Å	Aromatic
C17	C18	doub	1.38Å	1.41Å	Aromatic
C19	C18	sing	1.38Å	1.42Å	Aromatic
C3	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C15	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C19	H10	sing	1.08Å	1.08Å
O3	HO3	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C6	O6	124.2°	120.0°
O11	C6	C5	118.7°	120.0°
O6	C6	C5	117.1°	120.0°
C6	O6	HO6	109.5°	117.0°
O4	C4	C5	108.8°	109.5°
O4	C4	C3	116.1°	109.6°
O4	C4	H4	109.1°	109.6°
C4	O4	HO4	109.5°	114.0°
C6	C5	C4	110.2°	109.5°
C6	C5	O5	106.5°	109.5°
C6	C5	H5	110.2°	109.5°
C5	C4	C3	105.6°	109.2°
C4	C5	O5	107.7°	109.4°
C4	C5	H5	110.6°	109.5°
C5	C4	H4	108.5°	109.5°
C4	C3	O3	108.3°	109.6°
C4	C3	C2	111.3°	109.0°
C4	C3	H3	108.5°	109.5°
C3	C4	H4	108.5°	109.5°
C5	O5	C1	112.5°	114.1°
O5	C5	H5	111.5°	109.5°
O3	C3	C2	110.6°	109.6°
O3	C3	H3	109.6°	109.5°
C3	O3	HO3	109.5°	114.0°
O5	C1	C2	112.0°	109.4°
O5	C1	S13	107.2°	109.5°
O5	C1	H1	109.9°	109.5°
C3	C2	C1	115.4°	109.2°
C3	C2	O2	111.1°	109.5°
C2	C3	H3	108.6°	109.6°
C3	C2	H2	107.6°	109.5°
C1	C2	O2	106.8°	109.5°
C2	C1	S13	112.8°	109.5°
C1	C2	H2	107.1°	109.5°
C2	C1	H1	109.1°	109.5°
O2	C2	H2	108.5°	109.6°
C2	O2	HO2	109.5°	114.0°
C1	S13	C14	112.5°	103.0°
S13	C1	H1	105.8°	109.5°
C16	C15	C14	120.9°	119.9°
C15	C16	C17	119.7°	120.1°
C16	C15	H6	119.6°	120.1°
C15	C16	H7	120.1°	119.9°
C15	C14	S13	120.5°	120.1°
C15	C14	C19	119.3°	119.8°
C14	C15	H6	119.5°	120.0°
S13	C14	C19	120.2°	120.1°
C16	C17	C18	119.8°	120.2°
C17	C16	H7	120.1°	120.0°
C16	C17	H8	120.1°	119.9°
C14	C19	C18	120.1°	120.0°
C14	C19	H10	119.9°	120.1°
C17	C18	C19	120.1°	120.0°
C18	C17	H8	120.1°	119.9°
C17	C18	H9	119.9°	120.0°
C19	C18	H9	120.0°	120.0°
C18	C19	H10	119.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C6	O6	C5	179.6°	179.7°
O11	C6	C5	C4	85.8°	114.9°
O11	C6	C5	O5	157.7°	5.0°
O11	C6	C5	H5	36.6°	125.0°
O11	C6	O6	HO6	0.0°	0.3°
O6	C6	C5	C4	94.6°	65.3°
O6	C6	C5	O5	21.9°	174.8°
O6	C6	C5	H5	143.0°	54.7°
O4	C4	C5	C6	47.8°	62.5°
O4	C4	C5	C3	125.2°	119.9°
O4	C4	C5	H4	118.5°	120.1°
O4	C4	C3	H4	123.2°	120.2°
O4	C4	C5	O5	163.6°	177.6°
O4	C4	C3	O3	57.7°	63.2°
O4	C4	C3	C2	179.4°	176.9°
O4	C4	C3	H3	61.2°	57.0°
O4	C4	C5	H5	74.3°	57.6°
C6	C5	C4	O5	115.8°	120.0°
C6	C5	C4	H5	122.1°	120.1°
C6	C5	C4	C3	173.1°	177.6°
C6	C5	O5	H5	120.2°	120.0°
C6	C5	O5	C1	175.7°	178.9°
C6	C5	C4	H4	70.7°	57.7°
C5	C6	O6	HO6	179.6°	180.0°
C5	C4	C3	H4	116.2°	119.9°
C4	C5	O5	H5	121.5°	120.0°
C5	C4	C3	O3	178.3°	176.9°
C4	C5	O5	C1	66.1°	61.2°
C5	C4	C3	C2	60.0°	57.0°
C5	C4	C3	H3	59.4°	62.9°
C5	C4	O4	HO4	15.5°	60.0°
C3	C4	C5	O5	71.1°	57.6°
C4	C3	O3	C2	122.2°	119.6°
C4	C3	O3	H3	118.1°	120.2°
C4	C3	C2	H3	119.4°	119.8°
C4	C3	C2	C1	44.4°	57.0°
C4	C3	C2	O2	166.2°	176.9°
C4	C3	C2	H2	75.1°	62.9°
C3	C4	C5	H5	51.0°	62.4°
C4	C3	O3	HO3	180.0°	179.6°
C3	C4	O4	HO4	134.4°	179.7°
C5	O5	C1	C2	47.1°	61.2°
C5	O5	C1	S13	171.3°	178.8°
C5	O5	C1	H1	74.2°	58.8°
O5	C5	C4	H4	45.1°	62.3°
O3	C3	C2	H3	120.3°	120.2°
O3	C3	C2	C1	164.8°	177.0°
O3	C3	C2	O2	73.4°	63.1°
O3	C3	C2	H2	45.3°	57.1°
O3	C3	C4	H4	65.5°	57.0°
O5	C1	C2	C3	36.4°	57.6°
O5	C1	C2	S13	121.0°	120.0°
O5	C1	C2	H1	121.8°	120.0°
O5	C1	C2	O2	160.4°	177.5°
O5	C1	S13	H1	117.2°	120.0°
O5	C1	S13	C14	72.5°	65.1°
O5	C1	C2	H2	83.4°	62.3°
C1	O5	C5	H5	55.5°	58.8°
C3	C2	C1	O2	124.0°	119.9°
C3	C2	C1	H2	119.8°	119.9°
C3	C2	O2	H2	118.1°	120.1°
C3	C2	C1	S13	157.4°	177.6°
C3	C2	C1	H1	85.4°	62.4°
C2	C3	C4	H4	56.2°	62.9°
C2	C3	O3	HO3	57.8°	59.9°
C3	C2	O2	HO2	180.0°	180.0°
C1	C2	O2	H2	115.2°	120.2°
C2	C1	S13	H1	119.1°	120.0°
C2	C1	S13	C14	163.8°	175.0°
C1	C2	C3	H3	75.0°	62.8°
C1	C2	O2	HO2	53.3°	60.3°
O2	C2	C1	S13	78.6°	62.5°
O2	C2	C3	H3	46.8°	57.1°
O2	C2	C1	H1	38.6°	57.5°
C1	S13	C14	C15	76.9°	0.3°
C1	S13	C14	C19	103.9°	180.0°
S13	C1	C2	H2	37.6°	57.7°
C16	C15	C14	H6	180.0°	179.9°
C16	C15	C14	S13	178.6°	179.7°
C15	C16	C17	H7	180.0°	180.0°
C16	C15	C14	C19	0.5°	0.1°
C15	C16	C17	C18	0.3°	0.1°
C15	C16	C17	H8	179.7°	179.9°
C15	C14	S13	C19	179.1°	179.7°
C14	C15	C16	C17	1.0°	0.0°
C15	C14	C19	C18	0.7°	0.1°
C14	C15	C16	H7	179.0°	180.0°
C15	C14	C19	H10	179.3°	180.0°
S13	C14	C19	C18	179.8°	179.7°
C14	S13	C1	H1	44.7°	55.0°
S13	C14	C15	H6	1.4°	0.4°
S13	C14	C19	H10	0.2°	0.3°
C16	C17	C18	H8	180.0°	180.0°
C16	C17	C18	C19	0.9°	0.0°
C17	C16	C15	H6	179.0°	179.9°
C16	C17	C18	H9	179.0°	180.0°
C14	C19	C18	C17	1.4°	0.0°
C14	C19	C18	H10	180.0°	180.0°
C19	C14	C15	H6	179.4°	180.0°
C14	C19	C18	H9	178.5°	180.0°
C17	C18	C19	H9	180.0°	180.0°
C18	C17	C16	H7	179.8°	180.0°
C17	C18	C19	H10	178.6°	180.0°
C19	C18	C17	H8	179.1°	180.0°
H3	C3	C2	H2	165.5°	177.3°
H3	C3	C4	H4	175.7°	177.2°
H3	C3	O3	HO3	61.9°	60.3°
H2	C2	C1	H1	154.7°	177.7°
H2	C2	O2	HO2	61.9°	59.9°
H5	C5	C4	H4	167.2°	177.7°
H4	C4	O4	HO4	102.7°	60.1°
H6	C15	C16	H7	1.0°	0.0°
H7	C16	C17	H8	0.2°	0.0°
H8	C17	C18	H9	1.0°	0.0°
H9	C18	C19	H10	1.5°	0.0°

Release date:	2018-10-17
Definition date:	2018-04-25
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	6D7F