Figure 2: •Molecular system snapshots extracted from the PMFs of Figures 2C (X1=-70º) and 2D (X1=-160º), in PDB format. Figure 3: •Molecular system snapshots extracted from the PMFs of Figure 2A and
Hydrophobic contacts are given as average number of contacts per frame. Hydrogen bonds and cation-π occupancies are shown in percentages. Residues in bold indicate hydrogen bonds involving the amino a
