Fig. 4: Kernel density estimation of the three geometric measurements from MD simulations.

a–c, Nα–Csp2 distance (a), Bürgi–Dunitz angle (b) and Flippin–Lodge angle (c) for aminobenzoic acids (left) and β2,3-amino acid 2-aminocyclopentane-1-carboxylic acid monomers (right) within the RRM over the course of the 300 ns simulation. The grey zones highlight Nα–Csp2 distances of between 3 and 4 Å, and values of αBD and αFL between 90° to 105° and 5° to 20°, respectively.