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. 2022 Mar 11;13:729980. doi: 10.3389/fgene.2022.729980

FIGURE 3.

FIGURE 3

The comparison of The three-dimensional structure between wild type and variant p. Ala768Asp. (A) The distance between two helices is predicted to be increased by 1.5 Å (measured by C-alpha distance between two residues). (B) Asparagine (773, polar) and Arginine (774, Positive) near the variant site are dragged into Asparagine (768) due to the negative charge of its side chain (C) Relocation of Asparagine (773) due to the variant triggers scattering of residues (Ser770 and Phe570) bonded by polar interaction (yellow dotted), thereby destabilizing loop structures. (D) The comparison of molecular dynamic (MD) stimulation between wild type and p. Ala768Asp. The Root-mean-square deviation (RMSD) of atomic positions indicated the change in structure over time, and the variant structure (red) shows a large change and unstable pattern compared to the normal structure (black).