Table 8.

Averages of the binding enthalpy for the amino-acid residues of NSP16-10 bound to compounds A', B' and C'^a,b,c.

Compound
Residue of NSP16-10	A'	B'	C'
Residue Contribution to the Binding Enthalpy (kcal/mol)
GLY-6869	–	–	−0.55 ± 0.24
LEU-6898	−3.91 ± 0.89	−0.98 ± 1.14	−2.10 ± 0.80
ASN-6899	−1.06 ± 0.80	–	–
CYS-6913	−0.64 ± 0.35	–	−0.56 ± 0.36
MET-6929	−1.97 ± 0.40	−0.65 ± 0.91	−2.08 ± 0.47
TYR-6930	–	−2.39 ± 0.94	−1.54 ± 0.59
ASP-6931	−0.60 ± 0.53	–	−1.05 ± 0.51
PRO-6932	−1.51 ± 0.87	−2.54 ± 0.74	−1.08 ± 0.78
LYS-6933	–	−0.54 ± 0.83	–
THR-6934	–	–	−0.73 ± 0.44
LYS-6935	–	−0.76 ± 1.03	–
LYS-6944	–	–	−0.63 ± 0.25
PHE-6947	−1.59 ± 0.89	–	−2.01 ± 0.61
PHE-6948	–	–	−0.79 ± 0.27
LEU-7093	−0.71 ± 0.91	–	–

^aData for the NSP16-10 residues with the binding enthalpy ≤ −0.4 kcal/mol are presented.

^bThe averages of the residue contributions to the binding enthalpy and corresponding standard deviations are given.

^cThe NSP16-10 residues dominating the ligand/protein interaction are highlighted by bold.