Figure 1

Conformational population distribution plots of each substrate residue with respect to dihedral angles: (a) when annexin is free in water; (b) when annexin binds with the kinase; (c) when engineered peptide is free in water; (d) when engineered peptide binds with the kinase. The distribution was calculated from REMD using T-WHAM and normalized. The maps were plotted with contour step levels of 0.5%