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The PCA-eigenvector between ligand and unbound protein. The projection to the first two PCA-eigenvectors as X, Y axes based on the backbone of FKBP52 256 amino acids of MD is shown at the bottom of Figures 7(a) to 7(f). The red color indicates unbound protein and the blue is FKBP52 with ligand. The ligands in Figures 7(a) to 7(f) are FK506, C3G, D3G, M3G, Pa3G, and Pt3G.
