Fig. 2: Thermodynamic profiling of APR amyloid core cross-interactions to single variants.

a Single-mutation potential distributions in the four defined modes of cross-interaction (n = 10,374 mutations). A quadrant plot is generated by plotting cross-interaction energies on the x-axis and elongation energies on the y-axis, respectively. Energy distributions for each quadrant are shown as violin plots (consisting of a rotated kernel density plot on each side, so the full distribution can be observed), comprising also box-plots (representing median values with the lower and upper hinges corresponding to the 25th and 75th percentiles and whiskers representing minimum and maximum values). Residues are categorised as shown in the figure legend (Short = A, G, Pro = P, Cys = C, Polar = N, Q, S, T, Negatively charged = D, E, Positively charged = R, K, H, Hydrophobic = V, I, L, M, Aromatic = F, Y, W). b, c Rose plot (I.e. a circularly arranged histogram bar graph) distribution of the packing and stacking energy contributions along the four modes of interaction. d Rose plot distribution of residue type mutations along the four modes of interaction. e Residue burial distributions (relative surface area – RSA) for the four modes of interaction. f β-propensity and g solubility differentials calculated as a difference in value compared to their corresponding cognate APR sequence. Statistics: one-way ANOVA with multiple comparison. Source data are provided as a Source Data file.