Figure 2

Structure perturbation induced by L104 D mutation in MfpA. (a) Part of the structure of wild type MfpA at the end of 10-ns MD simulation. The side chain of L104 (magenta) is packed in the hydrophobic core of the β helix; (b) bottom view of (a); (c) Part of the structure of MfpA L104 D mutant at the end of 10-ns MD simulation. The side chain of D104 (orange) is exposed to solvent, inducing local structure deformation; (d) bottom view of (c).