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. Author manuscript; available in PMC: 2023 Sep 21.
Published in final edited form as: Phys Chem Chem Phys. 2022 Sep 21;24(36):21773–21785. doi: 10.1039/d2cp02851d

Fig. 6.

Fig. 6.

The residue-pairwise contact frequency of backbone atoms. The frequency of inter-chain (upper diagonal) and intra-chain (lower diagonal) inter-residue contact formed by backbone atoms are calculated by averaging over the last 500 ns trajectories of all independent simulations for hIAPP a), hIAPP(S20G) b), and rIAPP c). The total number of intra-chain (histograms to the right) and inter-chain (histograms on the top) contacts per residue is calculated by integrating the corresponding 2D contact probability map.