In our analyses, we centered a SOAP in a fictitious atom at the center of the aromatic ring of each monomer core and we considered only the CG atoms representing the ring and the amide beads to compute SOAP vectors. A cutoff radius of 8 Å is large enough to incorporate information on several neighboring monomers (we also tested the effect of enlarging the cutoff to 12 Å or 16 Å obtaining analogous results -see SI). In the analysis we set as parameters: n max = 8, l max = 8, cutoff = 8.0 Å. The width of the Gaussian functions was set to 1 Å. All other parameters were set to their default values, as implemented in the quippy library ( QUIP/descriptors.html).