Effect of Ca2+ on the promiscuous target-protein binding of calmodulin
Fig 3
Flow chart of analysis methods.
The quasi-rigid domains of CaM were first identified. Then, interatomic inverse distance matrices were used to cluster the frames into states with spectral clustering. The states were analyzed by computing interhelical angles and secondary structure frequencies. Finally, the solvent exposure of each state was mapped to contacts formed in CaM structures, followed by a classification of binding modes with spectral clustering.