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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