Fig. 4. Normal mode analysis.
(A) ζαcoh_norm(q,Δt) derived from the first three lowest-frequency normal modes (see eq. S11 and the corresponding text in the Supplementary Materials). (B) Scoring function φα for different normal modes (Eq. 2). (C) Comparison of ζcoh(q,Δt) measured experimentally and that derived from the first normal mode, the latter being corrected by the interprotein structure factor (Fig. 3A) and multiplied by the amplitude (< x2 > NM = 0.41 Å2) required to minimize φα. (D) Overlap parameter, Oα, between the eigenvector of a given normal mode and the direction of the conformational change between the open, substrate-free and the closed, substrate-bound forms of CYP101 (Eq. 4).