Extended Data Figure 6. Structural validation by SAXS.

a, Vr values for the fit of SAXS profiles to design models, in dark grey, and crystal structures, in yellow. For 43 designs, models are within the range defined by crystal structures. DHR49 and DHR76 form dimers in solution and the models employed the configuration observed in the crystal structures. Designs showing aggregation on the scattering profiles, including DHR5 for which the structure was solved, were not included in this figure. b and c, pairwise Vr similarity maps²⁹ of 43 design models. b, experimental to model profile similarity, and c, model to model profile similarity. Models that are similar to each other show correlation off-diagonal in c, and the same pattern is observed when compared to experimental data in b. The order of display was obtained by clustering the original designed models by structural similarity. The ability to reproduce characteristic patterns within a large set of designs indicates that the models are capturing the relative structural similarities between proteins in solution. The scores are color coded with red indicating best agreement and white lack of agreement.