Figure 4. 3D-Features of the de novo CDR-H3 β-hairpin mimetic 1d (20-state ensemble).

(A) Violin plots indicating the distribution of structural features as in Figure 1C for bulge-like residues within the CDR-H3 mimic. (B) Backbone Ramachandran analysis of kink residues. Values from the parental pembrolizumab (PDB: 5B8C) are indicated with ‘x’ marks and dot size reflects conformer weight.