Tradeoff Between Stability and Multispecificity in the Design of Promiscuous Proteins
Figure 6
Comparison of per-position energies between WT and single-state design sequences.
Total energies (intramolecular+intermolecular energies) for each of the 20 interface positions are averaged in all 16 structures for the native sequence (green bars) and the single-state design lowest energy sequences (blue bars). The dotted lines indicate the respective average energy contributions for all positions. The affinity- and specificity-determining positions are boxed in red and cyan, respectively.