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Principal component analysis (PCA) of the holo and ATQ bound proteins. (A) Holo; (B) ATQ bound protein. The plots show a 3-dimensional (3D) plot of PC1 versus PC2 of the WT and mutant holo proteins as a function of free energy. All protein systems were shown in three replicate runs (Run-1, Run-2 and Run-3). Each scale corresponds to each individual plot where the black color at 0 kcal/mol represents lowest free energy conformations.
