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. 2021 Apr 5;92:107482. doi: 10.1016/j.compbiolchem.2021.107482

Fig. 2.

Fig. 2

(a) The energy minimized four helix bundle structure of C3a. (b) The central conformer of the first major cluster populated for C3a, over the 50 ns of MD at 300 K. The structurally unordered last 13 aa [Arg65-Arg77] of the C-terminus is highlighted in pink. (c) Monitoring the basic structural parameters of C3a over the duration of MD. The decrease in total number of hydrogen bonds indicates structurally unordered nature of C3a. (d) The number of major conformational clusters of C3a evolved over the duration of MD.