Binding of transmissible gastroenteritis virus and porcine respiratory coronavirus to human and porcine aminopeptidase N receptors as an indicator of cross-species transmission
Fig 6
Dynamics of energy components (ΔE, kcal/mol) that contribute to the binding free energy.
(A–B) Van der Waals interaction energy (ΔEvdW) for complexes involving pAPN (A) and hAPN (B).(C–D) Electrostatic interaction energy (ΔEeel) for complexes involving pAPN (C) and hAPN (D). (E–F) Polar solvation energy calculated using Poisson-Boltzmann method (ΔEpb) for complexes involving pAPN (E) and hAPN (F). (G–H) Non-polar solvation energy (ΔEnpolar) for complexes involving pAPN (G) and hAPN (H). Graphs for complexes involving the TGEV Purdue RBD are shown in blue, the TGEV 133 RBD in green, and the TGEV 133 RBD with additional mutations in yellow. The raw data used in the analysis of the components of binding free energy are provided in S7 Table.