Fig. 5.
The AWSEM predictions (blue) vs. the predictions using a nonoptimized energy function with uniform intermonomer contact strength (red) for troponin C site III (PDB ID code 1CTA) and Arc repressor (PDB ID code 1ARR). In the plots on the left, the energies of the final configurations from each simulation are plotted as a function of Qinterface. In the plots on the right, the distribution of the number of samples collected from all simulations is plotted along Q. For 1CTA, the native bound state N is energetically less favored for uniform contact energy function than for AWSEM. For 1ARR, on the other hand, the native bound state is the lowest energy state for both energy functions. However, uniform intermonomeric contacts create an intermediate state I, which drastically reduces the binding efficiency.