FIG 1.

Stabilization of the SAT2 interpentamer interface and design of the models used for molecular dynamics simulations. (A) Cartoon representation of atomic structure of a virus capsid, with two pentameric subunits delineated and enlarged to show the interpentamer interface. The external proteins forming an icosahedral protomeric unit are labeled as follows: blue, VP1; green, VP2; and red, VP3. A truncated model was generated by trimming the protomers to include VP2 and VP3 atoms within a 13-Å radius from the interface. Yellow spheres represent amino acids interacting at the interface that were replaced in this study. Wild-type (B) and substituted (C) residues capping the 2-fold symmetry-related helix for the SAT serotype are highlighted and labeled in green for VP2 and red for VP3.