Table 4.

The MM-PBSA score for the two complexes (kcal·mol⁻¹).

Energy Components	X4(c)–Xyn10A	X4(sb)–Xyn10A
∆Eele	−40.72	−98.71
∆EvdW	−11.66	−47.24
∆GPB	53.63	112.02
∆Gnp	−2.92	−7.01
Nonpolar	−14.58	−54.25
Polar	12.91	13.31
∆Gbind	−1.67	−40.94