Table 4.

Molecular binding analyses of shortlisted lead CTL epitopes with human TLR2 receptor with different docking programs.

TLR2 receptor	CTL epitope	HPEPDock score (kJ/mol)	HEX 8.0 score (kJ/mol)	Cluspro score (kcal/mol)	Hydrogen bonds	Hydrophobic interaction
CTL model-1	FGGFNFSQI	− 187.772	− 311.25	− 848.6	Gly2-Thr416 of bond length 2.32 Å	Arg340, Gln363, Tyr364, Ile393, Ile461, Lys439, Tyr440 and Gln481
					Gly3-Gln390 of bond length 2.22 Å
CTL model-5	WTAGAAAYY	− 210.148	− 360.37	− 911.5	Thr2-Leu392 of bond length 2.55 Å	Tyr364, Thr391, Leu392, Ile393, Arg395, Asn417, Ile418, Tyr440, Ile 461, Glu481 and Tyr483
					Thr2-Asp419 of bond length 2.90 Å
					Tyr9-Asp463 of bond length 2.48 Å