Interactions between Yersinia pestis V-antigen (LcrV) and human Toll-like receptor 2 (TLR2) in a modelled protein complex and potential mechanistic insights

Table 1 Predicted hydrogen bonds between LcrV Domain G1 and TLR2 on the same side

LcrV residue	LcrV secondary structure	TLR2 residue	Bond length (Å)
N₄₃	Linker between α1 and β1	E₁₀₃	3.0
Q₉₃	α4	Y₃₆₄	4.0
N₉₆	α4	R₃₄₀	3.0
K₉₉	α4	K₂₅₃	3.5
R₁₀₀	α4	R₃₁₅	3.6
E₁₀₆	α4	E₁₇₈	3.0
Q₁₁₂	Linker between β2 and α5	K₃₇	2.6
A₁₂₈	Loop between α5 and α6	R₃₉₅	2.8
A₁₂₈	Loop between α5 and α6	Q₃₉₆	2.8
A₁₂₈	Loop between α5 and α6	K₄₂₂	2.8
R₁₃₀	Loop between α5 and α6	R₃₁₅	3.0
R₁₃₀	Loop between α5 and α6	E₃₄₄	3.5
D₁₃₂	Loop between α5 and α6	R₃₁₆	3.9
D₁₃₃	α6	R₂₅₇	3.3
K₁₃₇	α6	Y₁₀₉	4.2
H₁₄₅	α6	S₃₉	3.8
H₁₄₅	α6	D₅₈	2.7
H₁₄₅	α6	S₆₀	3.3
H₁₄₆	Linker between α6 and α7	N₆₁	3.2
H₁₄₆	Linker between α6 and α7	S₄₀	3.0

ISSN: 1471-2172