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. Author manuscript; available in PMC: 2024 Jun 12.
Published in final edited form as: J Chem Inf Model. 2023 May 29;63(11):3567–3578. doi: 10.1021/acs.jcim.3c00414

Figure 4. Residue-pairwise contact frequency of SEVI-Aβ hetero-dimer.

Figure 4.

The residue-pairwise contact frequency maps are computed between main-chain atoms (lower diagonal) and side-chain atoms (upper diagonal) based on the last 600 ns trajectories of 50 independent DMD simulations after reaching the saturation state. The representative structured motifs with high contact frequency patterns, mostly corresponding to the helices or β-sheets labeled as 1–14 in the contact frequency map, are also presented.