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. Author manuscript; available in PMC: 2025 Jul 19.
Published in final edited form as: ACS Chem Biol. 2024 Jun 25;19(7):1583–1592. doi: 10.1021/acschembio.4c00236

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

Figure 4.

(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.