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Top: aromatic–aromatic interactions and hydrogen–iodine contacts promote the T‐shape arrangement (edge‐to‐face) between two adjacent iodinated Phe5 residues. Bottom: CH⋅⋅⋅π interactions occurring between the aromatic surface of the Phe2 residue and the methylene hydrogen atoms on the lysine stabilize the steric zipper in the DFNKF(I) crystal structure.
