Fig. 2.

Progress along the path. The similarity to either end state (T or R) is plotted for structures taken along the minimum energy path. The reaction coordinate λ is the normalized integral (along the path) of all atomic coordinate changes (measured as a rms difference). (A) The tertiary (i.e., intrasubunit) and (B) the quaternary (i.e., intersubunit) similarity are separated for each of the four subunits, as described in Methods. The first (Q1) and second (Q2) major quaternary events are indicated. See Methods for a description of the similarity measure.