Figure 1.

AYEdesign X-ray and NMR structures. (a) The AYEdesign X-ray crystal structure (AYEdes_VJQ, chain A in light blue, chain B in dark blue) and NMR solution structure (AYEdes, chain A in pink, chain B in red) are superimposed and shown as ribbons. The protein forms a symmetric dimer that buries 740 Å of surface area of the back-face of the β-sheet, with a gap volume index of 2.37; these values are close to the average values observed for heterodimer interactions, but indicate a weaker interaction than is typical for homodimers or permanent protein complexes.⁵² (b) The top 20 NMR models from the final AYEdes structure calculation are shown as C^α backbones (different color for each model). The ensemble pair-wise RMSD is 0.57(±0.18) Å over backbone atoms and 1.09(±0.11) Å over heavy-atoms in residues 3–71 in both subunits.