Table 3. MM-PBSA values (binding free energies) of RsLA-protein complexes. Each value represents the average value calculated for the last 10 ns of each trajectory with 10 snapshots. SASA, solvent accessible surface area; SAV, solvent accessible volume; WCA, Weeks-Chandler-Andersen.

	Energies (kJ/mol)	Human	Murine	Horse	Hamster
Polar Energies	Electrostatic	−3798.51 +/− 244.91	1360.2 +/− 129.72	282.43 +/− 48.08	245.63 +/− 32.63
	Polar Solvation	647.50 +/− 89.15	332.89 +/− 19.71	272.13 +/− 28.87	350.46 +/− 14.38
Non-Polar energies	Van der Waal	−873.54 +/− 21.90	−970.53 +/− 30.82	−1069.11 +/− 29.5	−1012.96 +/− 32.0
	SASA	−108.36 +/− 2.25	−115.83 +/− 2.55	−121.33 +/− 2.62	−117.65 +/− 2.51
	SAV	−1188.88 +/− 36.96	−1206.60 +/− 42.9	−1289.9 +/− 48.78	−1254.09 +/− 23.0
	WCA	357.31 +/− 113.07	573.02 +/− 6.83	600.97 +/− 3.99	570.31 +/− 11.94
	Binding Energy	−4964.5 +/− 235.53	−26.85 +/− 146.03	−1324.80 +/− 74.5	−1218.31 +/− 43.1