FIGURE 13.

ASC PYD oligomeric fibril formation based on the monomer NMR data. Using the ASC·ASC PYD dimeric complex formed by the type I interaction (H1–H4 helices of one domain binding to H2–H3 of the other domain) as unit template, we generate a double-helical fibril that could polymerize based on charge complementarity (Fig. 14). The ribbon diagram represents the best dimer obtained by Haddock (one ASC PYD unit is colored in green and the other in light blue). The selected residues that drive the docking calculation are represented in sticks. The colored circles represent the type I interaction taking place for fibril formation. Each replicate is axially rotated ∼38°. The structures were aligned and represented with PyMOL (73).