FIG 4.

Biomimetic inhibitor in silico design. (A) EAEC wedge complex (PDB ID 6GIY). The box indicates the position of TssG foot 1, the template used to design the inhibitor. (B) The residue conservation of TssG foot 1 calculated from EAEC variants was used together with other indicators, such as coevolution, to select the biomimetic candidate segment (see Materials and Methods). (C) A 6-residue peptide of foot 1 (from S238 to G243) was used to generate a cyclic peptide that mimics foot 1 in its interaction with TssK trimer.