Table 1.

Molecular interactions between amino acid residues of VHHs and BjussuMP-II.

VHH	VHH domain	Amino acids		BjussuMP-II domain	Distance (Å)
		VHH	BjussuMP-II
Anti-BjussuMP-II VHH47	CDR2	Ser-56	Glu-156	Loop between h4 and h5	1.9
	CDR3	Arg-105	His-154	Zinc catalytic site	1.9/2.0/2.5
	CDR3	Arg-105	Glu-153	Loop between h4 and h5	1.9/2.1
	CDR2	Lys-55	Glu-153	Loop between h4 and h5	1.7
	CDR3	Thr-103	His-148	Zinc catalytic site	2.3
	CDR1	Arg-29	Asp-120	Loop between β4 and β5	1.8/1.9
	CDR1	Ser-32	Ile-115	Loop between β4 and β5	1.8
	FR1	Glu-3	Arg-122	Loop between β4 and β5	1.8
	CDR3	Thr-103	Arg-112	Loop between β4 and β5	1.8
	CDR3	Asp-101	Arg-112	Loop between β4 and β5	2.4
	CDR3	Asp-101	Arg-74	α-Helix h3	2.0/1.7
	CDR3	Asp-114	Arg-74	α-Helix h3	1.8/1.8
	CDR3	Asp-116	Lyz-78	α-Helix h3	1.8/1.8
Anti-BjussuMP-II VHH61	CDR3	Arg-109	Cys-161	Loop between h4 and h5	1.7
	CDR3	Arg-109	Ala-163	Loop between h4 and h5	1.7
	CDR3	Tyr-111	Pro-164	Loop between h4 and h5	1.9
	CDR1	Arg-33	Asp-162	Loop between h4 and h5	1.8/1.8
	CDR1	Arg-33	Glu-179	Loop between h4 and h5	1.9/1.9
	CDR3	Ser-105	Ser-177	Loop between h4 and h5	1.8
	CDR2	Trp-55	Ser-177	Loop between h4 and h5	2.3
	CDR1	Asp-32	Arg-47	α-Helix h2	2.0/1.9
	CDR2	Ser-56	Arg-47	α-Helix h2	1.7
	FR3	Arg-61	Glu-134	Loop between β5 and h4	2.0/1.2/1.8
	CDR2	Arg-59	Glu-134	Loop between β5 and h4	1.9/1.7
	CDR2	Arg-59	Gln-137	α-Helix h4	1.7
	CDR2	Arg-59	Tyr-178	Loop between β4 and β5	2.0
	CDR2	Ser-56	Arg-47	α-Helix h2	1.7
Anti-BjussuMP-II VHH64	CDR1	Arg-29	Val-171	Loop between h4 and h5	1.8
	CDR1	Arg-29	Val-167	Loop between h4 and h5	2.1/2.3
	CDR1	Thr-30	Ser-170	Loop between h4 and h5	2.3
	CDR1	Ser-32	Pro-164	Loop between h4 and h5	1.8
	CDR2	Trp-55	Glu-156	Loop between h4 and h5	2.0
	CDR3	Asn-102	Ala-163	Loop between h4 and h5	2.0
	CDR2	Ser-56	Asn-157	Loop between h4 and h5	1.9