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Trajectory data for C-Cap peptide projected to the 2D tICA landscape, along with average atomic distances Ala3(O)–Cys15(N) (cyan), Ala4(N)−Ala14(O) (red), and Ala7(Cα)−Ala13(Cα) (blue) as a function of tIC1 (bottom panel). Similarly plotted (left panel) are distances Arg8(Cζ)−capping group (magenta) and Arg5(Cζ)–capping group (green) as a function of tIC2. Selected snapshots (rainbow) are shown to represent featured conformation for typical microstates.
