Structure of wt A1-A2 domains and radius of gyration (ROG) and root mean square deviation (RMSD) analysis. (A) Final structure of wt A1-A2 after the Langevin dynamics simulation in cartoon (above) and in molecular surface (below) representation. Domains A1 and A2 are respectively reported in blue and in red, the 1465 to 1494 linker is reported in gray. The residues 1315 and 1374 are reported as green sticks. Analysis shows (B) ROG and (C) RMSD distributions of wt A1-A2 (black) and its mutants (p.R1315C, red; p.R1315L, green; p.R1374C, blue; and p.R1374H, yellow): the single aminoacid comparisons are reported in the small images flanking the global overlap.