Figure 3 ∣. Backbone structures of DAKD in complex with human B₁R in comparison to BK bound to human B₂R.

Only backbone and Cβ atoms are shown. (a) The backbone structure of DAKD calculated from NMR data features a V-shaped fold with a β-turn-like structure around P3–F6. (b) The NMR-based backbone structure of BK is characterized by an overall S-shape with a 3₁₀-helix-like segment (P2–F5) in the middle. (c,d) Rosetta modeling of DAKD in B₁R (c) and BK in B₂R (d) reproduces the characteristic V-shape of DAKD and the S-shape fold of BK (see text and Supplementary Fig. 10 for further details).