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. 2020 Mar 3;15(3):e0229734. doi: 10.1371/journal.pone.0229734

Table 4. Binding free energy decomposition of residue 227.

System Energy contribution (kcal/mol)
Internal Van der Waals Electrostatic Polar solvation Non-polar solvation Total
Maltose/WT 0.00 -0.50 -7.85 5.22 -0.10 -3.23
Maltose/N226P 0.00 0.07 -7.16 4.33 -0.08 -2.84
Maltose/H227Y 0.00 -0.31 -0.04 0.13 -0.03 -0.25
Maltose/N226P-H227Y 0.00 -0.04 -0.06 0.09 0.00 -0.01