Figure 1.

(A) A slow eigenprocess (red, dashed line) was found in the both the tICA and RMSD models built with the Anton dataset, but with two very different timescales indicating a large uncertainty in the model. After producing a new dataset on Folding@home, we found that the timescale was best estimated to be ∼15 μs. (B) The slow timescale corresponded to a two-residue register shift in strand two. The native state is shown in the top two images, and the register shift in the bottom two. There is a corresponding two-residue shift in the hydrophobic core, with Tyr¹⁶ (yellow) contacting Tyr33 (purple) in the native state, while in the register-shifted state, Phe14 (blue) stacks with Tyr33 (purple). To see this figure in color, go online.