FKD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C2	sing	1.43Å	1.43Å
O2	HO2	sing	0.97Å	0.95Å
C2	C1	sing	1.51Å	1.52Å
O1A	C1	doub	1.21Å	1.25Å
C1	O1B	sing	1.34Å	1.27Å
C3	F1	sing	1.40Å	1.35Å
O6	C2	sing	1.43Å	1.44Å
C2	C3	sing	1.53Å	1.53Å
C4	C3	sing	1.53Å	1.52Å
C3	H31	sing	1.09Å	1.10Å
C5	C4	sing	1.53Å	1.52Å
C4	O4	sing	1.43Å	1.42Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C6	C5	sing	1.53Å	1.54Å
O5	C5	sing	1.43Å	1.42Å
C5	H5	sing	1.09Å	1.10Å
O5	HO5	sing	0.97Å	0.95Å
C6	C7	sing	1.53Å	1.54Å
C6	O6	sing	1.43Å	1.42Å
C6	H6	sing	1.09Å	1.10Å
C8	C7	sing	1.53Å	1.52Å
C7	O7	sing	1.43Å	1.44Å
C7	H7	sing	1.09Å	1.10Å
O7	HO7	sing	0.97Å	0.95Å
O8	C8	sing	1.43Å	1.42Å
C8	C9	sing	1.53Å	1.54Å
C8	H8	sing	1.09Å	1.10Å
O8	HO8	sing	0.97Å	0.95Å
O9	C9	sing	1.43Å	1.41Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
O9	HO9	sing	0.97Å	0.95Å
O1B	HO1B	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	O2	HO2	109.5°	114.0°
O2	C2	C1	113.0°	109.4°
O2	C2	O6	111.8°	109.5°
O2	C2	C3	116.1°	109.5°
C2	C1	O1A	114.6°	120.0°
C2	C1	O1B	122.4°	120.0°
C1	C2	O6	98.7°	109.5°
C1	C2	C3	107.1°	109.5°
O1A	C1	O1B	122.8°	120.0°
C1	O1B	HO1B	109.5°	117.0°
F1	C3	C2	115.7°	109.5°
F1	C3	C4	107.9°	109.5°
F1	C3	H31	109.3°	109.5°
O6	C2	C3	108.7°	109.4°
C2	O6	C6	116.4°	114.1°
C2	C3	C4	109.7°	109.1°
C2	C3	H31	107.0°	109.5°
C4	C3	H31	107.1°	109.6°
C3	C4	C5	110.6°	109.1°
C3	C4	O4	110.1°	109.5°
C3	C4	H4	107.1°	109.6°
C5	C4	O4	113.2°	109.5°
C5	C4	H4	107.1°	109.7°
C4	C5	C6	107.2°	109.2°
C4	C5	O5	110.7°	109.5°
C4	C5	H5	108.8°	109.6°
O4	C4	H4	108.4°	109.5°
C4	O4	HO4	109.5°	114.0°
C6	C5	O5	111.4°	109.6°
C6	C5	H5	108.5°	109.5°
C5	C6	C7	109.5°	109.5°
C5	C6	O6	111.6°	109.4°
C5	C6	H6	109.6°	109.5°
O5	C5	H5	110.2°	109.5°
C5	O5	HO5	109.5°	114.0°
C7	C6	O6	105.2°	109.4°
C7	C6	H6	109.6°	109.4°
C6	C7	C8	110.1°	109.5°
C6	C7	O7	110.7°	109.4°
C6	C7	H7	108.7°	109.5°
O6	C6	H6	111.3°	109.5°
C8	C7	O7	108.3°	109.5°
C8	C7	H7	109.0°	109.5°
C7	C8	O8	108.1°	109.5°
C7	C8	C9	110.1°	109.4°
C7	C8	H8	109.4°	109.5°
O7	C7	H7	110.1°	109.4°
C7	O7	HO7	109.5°	113.9°
O8	C8	C9	109.2°	109.5°
O8	C8	H8	110.9°	109.5°
C8	O8	HO8	109.5°	114.0°
C9	C8	H8	109.2°	109.5°
C8	C9	O9	109.0°	109.5°
C8	C9	H91	109.6°	109.5°
C8	C9	H92	109.6°	109.4°
O9	C9	H91	109.6°	109.4°
O9	C9	H92	109.6°	109.5°
C9	O9	HO9	109.5°	114.0°
H91	C9	H92	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C2	C1	O6	118.2°	120.1°
O2	C2	C1	C3	129.1°	120.0°
O2	C2	C1	O1A	76.8°	115.0°
O2	C2	C1	O1B	98.1°	65.0°
O2	C2	C3	F1	166.2°	177.7°
O2	C2	O6	C3	129.5°	120.0°
O2	C2	C3	C4	71.6°	62.4°
O2	C2	C3	H31	44.2°	57.6°
O2	C2	O6	C6	73.3°	58.9°
HO2	O2	C2	C1	180.0°	60.0°
HO2	O2	C2	O6	69.8°	60.0°
HO2	O2	C2	C3	55.8°	180.0°
C2	C1	O1A	O1B	174.9°	180.0°
C1	C2	C3	F1	39.0°	57.8°
C1	C2	O6	C3	111.4°	120.0°
C1	C2	C3	C4	161.2°	177.6°
C1	C2	C3	H31	83.0°	62.4°
C1	C2	O6	C6	167.6°	178.9°
C2	C1	O1B	HO1B	174.6°	180.0°
O1A	C1	C2	O6	41.4°	5.0°
O1A	C1	C2	C3	154.1°	125.0°
O1A	C1	O1B	HO1B	0.0°	0.0°
O1B	C1	C2	O6	143.6°	174.9°
O1B	C1	C2	C3	30.9°	55.0°
F1	C3	C2	O6	66.7°	62.3°
F1	C3	C2	C4	122.2°	119.8°
F1	C3	C2	H31	122.0°	120.1°
F1	C3	C4	H31	117.5°	120.2°
F1	C3	C4	C5	67.2°	62.9°
F1	C3	C4	O4	58.7°	57.0°
F1	C3	C4	H4	176.4°	177.1°
O6	C2	C3	C4	55.5°	57.6°
O6	C2	C3	H31	171.3°	177.6°
C2	O6	C6	C5	57.2°	61.2°
C2	O6	C6	C7	175.8°	178.8°
C2	O6	C6	H6	65.6°	58.9°
C2	C3	C4	H31	115.7°	120.0°
C2	C3	C4	C5	59.6°	57.0°
C2	C3	C4	O4	174.5°	176.8°
C2	C3	C4	H4	56.8°	63.0°
C3	C2	O6	C6	56.2°	61.1°
C3	C4	C5	O4	124.1°	119.8°
C3	C4	C5	H4	116.4°	120.0°
C3	C4	O4	H4	116.9°	120.2°
C3	C4	O4	HO4	180.0°	60.0°
C3	C4	C5	C6	57.5°	57.0°
C3	C4	C5	O5	179.2°	177.0°
C3	C4	C5	H5	59.6°	62.9°
H31	C3	C4	C5	175.3°	176.9°
H31	C3	C4	O4	58.8°	63.2°
H31	C3	C4	H4	58.9°	56.9°
C5	C4	O4	H4	118.8°	120.3°
C5	C4	O4	HO4	55.7°	179.5°
C4	C5	C6	O5	121.2°	119.9°
C4	C5	C6	H5	117.4°	119.9°
C4	C5	O5	H5	120.4°	120.2°
C4	C5	O5	HO5	180.0°	60.0°
C4	C5	C6	C7	171.1°	177.6°
C4	C5	C6	O6	54.9°	57.6°
C4	C5	C6	H6	68.8°	62.4°
O4	C4	C5	C6	178.4°	176.9°
O4	C4	C5	O5	56.7°	63.2°
O4	C4	C5	H5	64.5°	57.0°
H4	C4	O4	HO4	63.1°	60.2°
H4	C4	C5	C6	58.9°	63.0°
H4	C4	C5	O5	62.8°	57.0°
H4	C4	C5	H5	176.0°	177.2°
C6	C5	O5	H5	120.5°	120.1°
C6	C5	O5	HO5	60.8°	179.7°
C5	C6	C7	O6	120.1°	120.0°
C5	C6	C7	H6	120.2°	120.0°
C5	C6	O6	H6	122.8°	120.0°
C5	C6	C7	C8	179.4°	175.0°
C5	C6	C7	O7	60.9°	55.0°
C5	C6	C7	H7	60.2°	65.0°
O5	C5	C6	C7	67.8°	62.4°
O5	C5	C6	O6	176.1°	177.6°
O5	C5	C6	H6	52.4°	57.6°
H5	C5	O5	HO5	59.6°	60.2°
H5	C5	C6	C7	53.7°	57.7°
H5	C5	C6	O6	62.4°	62.3°
H5	C5	C6	H6	173.8°	177.7°
C7	C6	O6	H6	118.6°	119.9°
C6	C7	C8	O7	121.2°	120.0°
C6	C7	C8	H7	119.1°	120.0°
C6	C7	O7	H7	120.2°	120.0°
C6	C7	O7	HO7	180.0°	60.1°
C6	C7	C8	O8	61.8°	60.0°
C6	C7	C8	C9	179.0°	180.0°
C6	C7	C8	H8	59.0°	60.0°
O6	C6	C7	C8	60.4°	55.0°
O6	C6	C7	O7	59.3°	65.0°
O6	C6	C7	H7	179.7°	175.1°
H6	C6	C7	C8	59.3°	65.0°
H6	C6	C7	O7	179.0°	175.0°
H6	C6	C7	H7	60.0°	55.1°
C8	C7	O7	H7	119.0°	120.0°
C8	C7	O7	HO7	59.2°	60.0°
C7	C8	O8	C9	119.7°	120.0°
C7	C8	O8	H8	119.9°	120.0°
C7	C8	C9	H8	120.1°	120.0°
C7	C8	O8	HO8	180.0°	60.1°
C7	C8	C9	O9	59.3°	175.0°
C7	C8	C9	H91	179.3°	55.0°
C7	C8	C9	H92	60.6°	65.0°
O7	C7	C8	O8	177.0°	180.0°
O7	C7	C8	C9	57.8°	60.0°
O7	C7	C8	H8	62.1°	60.0°
H7	C7	O7	HO7	59.8°	180.0°
H7	C7	C8	O8	57.3°	60.0°
H7	C7	C8	C9	61.9°	60.0°
H7	C7	C8	H8	178.1°	180.0°
O8	C8	C9	H8	121.4°	120.1°
O8	C8	C9	O9	59.2°	65.0°
O8	C8	C9	H91	60.8°	175.0°
O8	C8	C9	H92	179.1°	55.0°
C9	C8	O8	HO8	60.2°	59.9°
C8	C9	O9	H91	119.9°	120.0°
C8	C9	O9	H92	119.9°	120.0°
C8	C9	H91	H92	120.2°	120.0°
C8	C9	O9	HO9	180.0°	180.0°
H8	C8	O8	HO8	60.1°	179.9°
H8	C8	C9	O9	179.5°	55.0°
H8	C8	C9	H91	60.6°	64.9°
H8	C8	C9	H92	59.5°	175.0°
O9	C9	H91	H92	120.2°	120.0°
H91	C9	O9	HO9	60.1°	60.0°
H92	C9	O9	HO9	60.0°	60.0°

Definition date:	2005-09-13
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	2AGS