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. Author manuscript; available in PMC: 2018 Nov 5.
Published in final edited form as: Comput Chem Eng. 2018 Feb 21;116:322–332. doi: 10.1016/j.compchemeng.2018.02.013

Fig. 3.

Fig. 3

Molecular graphics images of HI18 in complex with IAPP. (A,B,C) Snapshots extracted from the MD simulations illustrating the increased mobility of the N-termini in comparison to the core of the complex. Glu10 of subunit 1 in HI18 forms salt-bridges with Lys1 and Arg11 of IAPP as well as hydrogen bonds with Thr9 of IAPP. The flexible N-termini are encircled with green dotted lines. Interactions between Glu10 of subunit 1 in HI18 and the N-terminus of IAPP remain prevalent throughout the MD simulations. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)