Table 2 Energy terms for binding of ATPMg2 to both sites of the FO model
| Â | ATPMg2 | |||
|---|---|---|---|---|
| Â | Site 1 | Site 2 | ||
Contribution | mean | std err | mean | std err |
ΔE electrostatic | -820.15 | 2.37 | -714.12 | 1.64 |
ΔE vdw | -7.12 | 0.48 | -15.80 | 0.44 |
ΔE MM | -827.26 | 2.21 | -729.92 | 1.50 |
ΔG nonpolar | -5.68 | 0.01 | -5.38 | 0.01 |
ΔG polar | 801.60 | 2.19 | 693.77 | 1.35 |
ΔG solvation | 795.92 | 2.19 | 688.39 | 1.35 |
ΔE polar+elect | -18.55 | 0.84 | -20.35 | 0.96 |
ΔG* binding | -31.34 | 0.69 | -41.53 | 0.82 |
T ΔS | ~28 |  | ~28 |  |
ΔG binding | ~-3 |  | ~-13 |  |