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Table 1 Predicted stability changes upon mutation H364R using DUET prediction web server. The negative ΔΔGs (kcal/mol) indicate the destabilizing effect of mutation H364R

From: Investigating the effect of an identified mutation within a critical site of PAS domain of WalK protein in a vancomycin-intermediate resistant Staphylococcus aureus by computational approaches

Method

Wild-type

mCSM Predicted Stability Change (ΔΔG: kcal mol)

SDM Predicted Stability Change (ΔΔG: kcal/mol)

DUET

Predicted Stability Change (ΔΔG: kcal/mol)

4mn5-chain A

−1.4

−1.0

−1.371

4mn5-chain B

−1.478

−1.19

−1.484

4mn6-chain A

−1.364

−1.58

−1.423

4mn6-chain B

−1.478

−1.19

−1.484