Fig. S8.

(A) PMFs for pairs of R10 (red line) and R8KR (blue line) molecules as a function of the separation between the guanidino-C atoms of the 10th and 8th residues ($CZ10-CZ8$). (B) PMFs for pairs of R10 (black line) molecules as a function of the separation between the guanidino-C atoms of the ninth residues ($CZ9-CZ9$). PMFs are from umbrella-sampling MD simulations, using the A99 force field, for systems at $c_s=0.07$ M. (C) Average $CZ9-CZ9$ calculated from simulations of R8KR (blue points) and R10 (red points) molecules at constrained $CZ10-CZ8$. (D) Average $CZ10-CZ8$ calculated from simulations of R10 (black points) molecules at constrained $CZ9-CZ9$.