Changes in contributions to the average pairwise energy per bead between the WT and an evolved sequence of FUS, hnRNPA1 and LAF1.

Standard deviations for the simulation averages are given in brackets and apply to the least significant figure. For LAF1, the evolved population is diverse in terms of these changes, and two representative examples are shown, labelled [a] (fitness 1.34) and [b] (fitness 1.28). For FUS, sequence evolution results in a change almost exclusively to the hydrophobic part of the pairwise energy. For hnRNPA1 and LAF1[a], both Coulomb and hydrophobic interactions are more favourable in the evolved sequences, but hydrophobic interactions contribute more in absolute terms. For LAF1[b], the Coulomb energy is less favourable in the evolved sequence. All data presented here are obtained at a simulation temperature of 200 K, corresponding to 0.8 Tc(FUS). While the overall average energies themselves depend significantly on temperature, the differences between WT and evolved sequence energies are largely independent of temperature in the range of interest.