The Protein Stability Analysis of DnaK Structures.

<p>Protein stability changes ΔΔG are computed using a systematic alanine scanning. The protocol involved modification of the protein residues to alanine and computing the effect of each mutation on protein stability using FoldX (A,B) and DUET (C,D) methods respectively. The profiles are annotated using residue numbering in the solution structure of the ADP-bound DnaK (pdb id 2KHO) for (A, C) and the crystal structure of an ATP-bound DnaK (pdb id 4B9Q) for (B, D). The profiles are shown as bars colored according to the adopted scheme: IA (in blue), IB (in red), IIA (in green), IIB (in cyan), the inter-domain linker (in black), SBD-α (in magenta), and SBD-β (in orange). The inset shows protein stability changes of the SBD-β residues (orange-colored lines with marron-colored filled squares).