Table 7.

Statistics of the best refined docked TLR5 and vaccine complex. Strong protein interaction expressed in arbitrary units (a.u.) is represented by smallest HADDOCK score.

Vaccine-TLR5
HADDOCK score (a.u.)	− 259.8 ± 3.1
Cluster size	20
RMSD from the overall lowest-energy structure (Å)	0.3 ± 0.2
Van der Waals energy (kcal mol−1)	− 182.2 ± 4.2
Electrostatic energy (kcal mol−1)	− 514.1 ± 25.7
Desolvation energy (kcal mol−1)	25.1 ± 6.0
Restraints violation energy (kcal mol−1)	1.1 ± 0.39
Buried surface area (Å2)	5358.9 ± 45.0