Fig. 2: Structural flexibility of the Y2R NT in microsecond MD simulations.

a Violin plot of the backbone-RMSD values for each residue of the NT during the MD simulations, relative to the initial frame, grouped in sets of five. b Example conformations sampled during MD simulations. Residue coloring matches the groups in the violin plot with a color gradient from orange to pink from distal to membrane-proximal regions and opacity increasing over simulation time.