Overlap of the residue displacements determined from the reconstructed in-phase trajectories at the base frequency, PCA, LRT method and crystal structures.

(a)d is the Cα displacement vector between the averages of WPDopen and WPDclosed crystal structures in L16I conformation (see Text S2).
(b)Sixth and tenth (in the next row) eigenvectors are the single eigenvectors obtained from EMD simulation having the highest overlap with the experimental conformational change.
(c)Linear combination of the first 10 eigenvectors consistent with the conformational change of PTP1B.
(d)Linear combination of the first 20 eigenvectors consistent with the conformational change of PTP1B.
(e)l is the Cα displacement vector obtained by LRT method.