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. Author manuscript; available in PMC: 2024 Oct 23.
Published in final edited form as: J Chem Inf Model. 2023 Oct 2;63(20):6376–6385. doi: 10.1021/acs.jcim.3c01267

Figure 3. Residue-pairwise contact frequency analysis of the medin monomer.

Figure 3.

The left panel shows the residue-pairwise contact frequency between main-chain heavy atoms (upper diagonal) and side-chain heavy atoms (lower diagonal) within the medin monomer. Representative structured motifs with high contact frequency patterns, mainly corresponding to helices or β-sheets, are labeled as 1–6 and displayed on the right. The contact frequency map is generated using the last 300 ns trajectories of 30 independent DMD simulations after reaching a steady state.