TABLE 2.
Residue-based free energy decomposition for Rac1-Tiam1 complex (kcal/mol).
Mutant | VDW | Electrostatic | Polar solvation | Nonpolar | Total |
---|---|---|---|---|---|
Y32 | −4.33 | −7.22 | 8.50 | −0.67 | −3.73 |
N39 | −3.58 | −10.28 | 11.09 | −0.51 | −3.28 |
W56 | −2.87 | −2.53 | 1.77 | −0.40 | −4.04 |
Y64 | −5.78 | −2.09 | 4.02 | −0.73 | −4.59 |