Fig. 1.
Information on the distribution of torsional angles found in our reconnaissance metadynamics simulations. A shows the ala12 system examined and the backbone dihedral angles that were used as CVs. B shows a 2D projection of the distribution of angles found during reconnaissance. Here we show the distribution as a function of ψ in the third residue and of ϕ in the sixth residue, although the distribution of any pair of angles shows the same qualitative features. C shows (in red) a histogram for the distribution of distances between pairs of frames. Also shown in this figure is the distribution expected for a 24-dimensional, isotropic Gaussian with a standard deviation equal to 0.5 (black) and the distribution of distances expected for a set of points distributed uniformly across the 24-dimensional space (gray).