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(A) Free energy map as a function of two dominant TICA ICs. Red dots indicate the location of representative frames for six (un)folding steps. (B–D) Descriptors of the folding process as functions of the reaction coordinate. Shaded areas indicate estimation errors (see text for details). (E) Transition matrix between six folding steps, with circle areas proportional to corresponding populations of simulation frames (transitions with probability < 0.03 not shown).
