Table 3.

Average hydrogen bond distances (Å) between hydroxyl and sulfate groups and their occupancy in IbSF and HfSF.^a

	Sulfate Group			Hydrogen Bond (I)		Hydrogen Bond (II)		Color
	Residue	Atom	Atoms	Distance	Occupancy	Distance	Occupancy
IbSF	Dnr–4SO3−	O	Dnr(O3)	2.85	99	2.87	60	Purple
	Cnr–2SO3−	O	Bnr(O4)	2.80	52	2.80	54	Red
	Bnr–2SO3−	O	Anr(O4)	2.79	70	2.78	72	Cyan
	Dr–4SO3−	O	Anr(O2)	2.76	100	2.75	100	Green
	Dr–2SO3−	O	Cr(O4)	2.80	52	DSb	DSb	Gray
	Cr–2SO3−	O	Br(O4)	2.80	51	2.80	48	Magenta
	Br–2SO3−	O	Ar(O4)	2.79	59	2.79	59	Blue
HfSF	Dnr–2SO3−	O	Dnr(O3)	2.86	100	2.87	99	Gray
	Dnr–2SO3−	O	Cnr(O4)	2.77	73	2.78	73	Teal
	Bnr–2SO3−	O	Anr(O4)	2.80	53	2.79	71	Cyan
	Anr–2SO3−	O	Br(O2)	2.86	37	DSb	DSb	Green
	Dr–2SO3−	O	Cr(O4)	2.78	70	2.79	62	Violet
	Br–2SO3−	O	Ar(O4)	2.80	48	2.80	47	Blue
	Ar–2SO3−	O	Ar(O1)	3.32	13	3.32	13	Gray

^aMean of the hydrogen bond distances between the hydroxyl oxygen and the closest oxygen in the sulfate group. The color column shows the color of each hydrogen bonded pair in Fig. 6.

^bDS means the octasaccharides are 2-desulfated and that particular sulfate group is absent in the structure.