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

Table 3 Predicted hydrogen bonds between LcrV and TLR2 on the opposite side

LcrV residue	LcrV secondary structure	TLR2 residue	Bond length (Å)
R₅₃	Loop between β1 and α2	S₄₀	2.6
K₅₄ (peptidyl carbonyl group)	Loop between β1 and α2	S₄₀	2.6
K₅₄ (peptidyl amino group)	Loop between β1 and α2	S₄₀	4.0
K₅₄	Loop between β1 and α2	G₄₁	3.1
D₅₅	Loop between β1 and α2	S₄₀	4.1
S₅₆	Loop between β1 and α2	S₂₇	3.4
S₅₆	Loop between β1 and α2	S₃₉	3.9
S₅₆ (side chain hydroxyl group)	Loop between β1 and α2	S₄₀	2.6
S₅₆ (peptidyl amino group)	Loop between β1 and α2	S₄₀	3.2
E₅₇	Loop between β1 and α2	S₂₉	3.1
T₂₀₂	Linker between α8 and α9	H₃₁₈	3.2
E₂₀₅	α9	Q₃₄₅	3.8
Q₃₀₇	α12	S₄₂	3.9

ISSN: 1471-2172