Figure 1

Location of disordered region and design mutations in the MICA structure. (a) The receptor-bound structure of MICA (Protein Data Bank ID 1HYR chain C) in stereo, shown as ribbons and colored by PDB-assigned secondary structure of unbound MICA (PDB ID 1B3J), with beta sheets red, helices yellow and loops green. (Residues in the α2 helix of receptor-bound MICA that are absent from the crystal structure of unbound MICA are colored green.) The solvent-accessible surface of unbound MICA is overlaid on the receptor-bound structure with the same coloring, showing how the disordered region exposes the underlying beta-sheet. (b) Side view in stereo of the receptor-bound wild-type MICA structure used by RosettaDesign, with the helix backbone that is not observed in the unbound structure colored green. The eight redesigned residues are shown as sticks and labeled. The residues mutated in only the first design strategy, summarized in Table 1, are colored blue, and the residues that were also mutated in the second design strategy, summarized in Table 2, are colored purple. Figures made with PyMol http://www.pymol.org.