Table 2. Relative binding affinities (in kcal mol) with respect to -T.

Protein	calcd	experiment	Previous data [22]	Comp. Binding Experiment
WT	8.26 2.13	7.67 5.38	6.21 2.89	5.3∶1
A156L	−1.19 2.28	−3.42 3.04	–	1∶1.5

Positive values indicate a preferred -T binding. Calculated values were produced with equation 6 and experimental values with equation 4. The data indicate the mean values the standard deviation for both, experimental and computational data.