Table 4 Binding free energy components of RVFV proteins.
Energy component | Glycoprotein N | Glycoprotein C | Nucleocapsid | |||
|---|---|---|---|---|---|---|
Calyxin C | Calyxin D | Calyxin C | Calyxin D | Calyxin C | Calyxin D | |
Van der Waals | −36.78 | −36.66 | −36.99 | −27.11 | −44.71 | −36.03 |
Electrostatic | −45.35 | −16.72 | −27.89 | −29.88 | 3.74 | 3.08 |
Polar solvation | 60.17 | 36.90 | 52.45 | 43.22 | 13.00 | 13.23 |
Non-polar solvation | −5.04 | −5.09 | −6.20 | −4.14 | −5.57 | −4.09 |
Net gas phase | −82.13 | −53.39 | −64.88 | −56.99 | −40.97 | −32.95 |
Net solvation | 55.12 | 31.81 | 46.24 | 39.07 | 7.43 | 9.41 |
Net complex energy | −27.00 | −21.58 | −18.64 | −17.92 | −33.54 | −23.54 |
