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. 2012 Sep 19;287(45):38327–38337. doi: 10.1074/jbc.M112.375493

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© 2012 by The American Society for Biochemistry and Molecular Biology, Inc.

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FIGURE 5. — Molecular modeling of the structures of the TIR domains of WT and R753Q TIR2 species. A–C, ribbon models of WT Arg-753 (A) and mutant Gln-753 (MUT Q753) (B) TIR domains of TLR2 and their overlay (C) are shown. D, a close-up of the DD-loop-αD region encircled in C. E and F, the electrostatic surfaces of the WT (Arg-753) (E) versus mutant Gln-753 (F). The electrostatic potential was calculated by solving the Poisson-Boltzmann equation using the APBS PyMOL plug-in and depict a range from − (red)/+ (blue) 1k_bT/e_c, where k_b is the Boltzmann constant, T is the temperature, and e_c is the charge of the electron. Surfaces of the TIR2 domains are depicted.