Extended Data Fig. 2: Measurement of imperfect closure geometry in the state “Xm” rings.

a. Plot of atomic distances between N terminus of the first and C-terminus of the mth docked subunit in the Xm state across tested designs, where the individual subunits are AF2 predictions of the monomer state. A boxplot indicating mean and interquartile range, and whiskers indicating range are shown. The two tested Xm designs with the closest (left) and most distant (right) approach of their ends are shown, where distances are marked with a double headed arrow. Greater distance implies more open rings. b. Example of a rejected design whose ring-ends are far enough apart that they associate into open fibers. c. Plot of RMSD distance between alphafold multimer predictions of monomers in the free state and in their Xm assembly state. A boxplot indicating mean and interquartile range, and whiskers indicating range are shown. d Example design showing backbone deviation predicted between the free (pink) and assembled (gray) monomer states, modelled using AF2 on a monomer sequence and AF2-multimer-v3 with a template of docked monomers (seen in top of e) respectively. e. strained (top) and well-formed (bottom) rings formed by docking the components shown in d as pink and gray.