Table 3. Active interface amino acid residues and binding scores among Toll Like Receptors (TLRs) and the constructed vaccine CoV-RMEN.

Active residues of TLRs		Active residues of CoV-RMEN	HADDOCK score	ΔG (kcal mol−1)
TLR-2	V536, C537, S538, C539, E540, S543, E547, P567, R569, L570	D72, Y75, L101, I103, I112, C150, F152, E153, Y154, V155, S156, F176, F178, R181, F182, L371	−30.4	−9.0
TLR-3	D36, H39, K41, R643, F644, P646, F647, T650, C651, E652, S653, I654, W656, F657, V658, N659, W660, I661, N662, E663	F43, S44, N45, V46, T47, W48, D72, Y75, F76, L101, I103, I112, F152, E153, Y154, V155, S156, Q157, F159, F178, R181, F182, L371	−47.2	−14.9
TLR-4	P53, F54, S55, H68, G70, Y72, S73, F75, S76, Q99, S102, G124	G39, L40, D72, Y75, F76, F90, L101, I103, I112, F152, Y154, S156, Q157, F159, R174, E175, F176, F178, R181, F182, P183, L371, P374, P380, G381	−52.1	−16.0