Predicted and measured changes in binding affinity.

1All experiments were repeated 3 times and average and standard deviation for Kd is reported
2The specificity shift was defined as the fold of affinity enhancement towards MMP14, divided by the fold of affinity enhancement towards MMP9.
3The specificity is considered predicted correctly if the calculated difference between ΔΔGbind for the N-TIMP2 mutant/MMP14 complex and the N-TIMP2 mutant/MMP9 complex agrees in sign with the experimental difference between the respective ΔΔGbind values.