TABLE 2.

Interaction between SagUGL D175N and Δ6S

Hydrogen bonds (<3.3 Å)					van der Waals contact (C-C distance <4.5 Å)
Sugar	Atom	Protein	Atom	Distance	Sugar	Atom	Protein	Atom
				Å
ΔGlcUA	O-2	Asp-115	Oδ2	2.6	ΔGlcUA	C-1	Trp-69	Cδ2, Cζ2, Cγ, Cδ1, Cϵ2
	O-3	Asn-175	Oδ1	3.1		C-2	Asp-115	Cγ
		Asp-115	Oδ2	3.2		C-3	Asn-175	Cγ
	O-6A	Arg-247	Nη2	2.7			Asp-115	Cγ
	O-6B	Trp-251	Nϵ1	3.1			Trp-69	Cδ2, Cϵ3, Cζ3, Cη2, Cζ2, Cϵ2
		Arg-247	Nϵ	2.9			Phe-118	Cδ1, Cϵ1
GalNAc6S	O-1	Gly-233	O	2.8		C-4	Asn-175	Cγ
	O-4	Thr-235	Oγ1	2.5			Trp-69	Cδ2, Cϵ3, Cζ3, Cη2, Cζ2, Cϵ2
	O-5	Thr-235	Oγ1	3.2			Phe-118	Cϵ1
	O-7	Asp-115	Oδ1	3.0		C-5	Trp-69	Cζ3, Cη2, Cζ2, Cϵ2
	O-1S	Ser-365	Oγ	2.9		C-6	Trp-245	Cη2, Cζ2
		Ser-368	Oγ	2.6			Trp-69	Cη2, Cζ2
	O-2S	Ser-368	Oγ	3.0			Arg-247	Cζ
					GalNAc6S	C-3	Trp-69	Cδ1
						C-4	Tyr-364	Cϵ1, Cζ
						C-5	Tyr-364	Cϵ1, Cζ
						C-6	Thr-235	Cγ2
							Tyr-364	Cϵ1, Cϵ2, Cζ
							Ser-365	Cβ
						C-7	Trp-69	Cδ1
						C-8	Trp-69	Cδ1