Table 6.
Reference binding free energies of the seven pseudodomains of EF–(2Ca-CaM)
ΔΔEele | ΔΔEvdw | ΔΔEint | ΔΔGsolpolar | ΔΔGsolnonpolar | ΔΔG | |
---|---|---|---|---|---|---|
CA | −552 ± 87 | −314 ± 11 | 52 ± 4 | 800 ± 85 | 11 ± 3 | −3 ± 22 |
CB | −407 ± 60 | −82 ± 5 | 24 ± 3 | 497 ± 58 | 14 ± 2 | 44 ± 13 |
SA | −1410 ± 91 | −241 ± 9 | 20 ± 3 | 1526 ± 84 | 17 ± 3 | −89 ± 24 |
SC | −881 ± 45 | −241 ± 9 | 19 ± 3 | 1049 ± 43 | 2 ± 2 | −51 ± 20 |
Hel | −1911 ± 78 | −161 ± 9 | 10 ± 2 | 2035 ± 75 | 21 ± 2 | −6 ± 17 |
N-CaM | −1387 ± 86 | −101 ± 11 | 10 ± 2 | 1445 ± 82 | 25 ± 2 | −9 ± 18 |
C-CaM | −705 ± 87 | −251 ± 12 | 10 ± 2 | 830 ± 77 | 16 ± 3 | −101 ± 29 |
The different contributions to the total free energy of binding ΔΔG are given in kcal/mol as the Coulomb interaction energy (ΔΔEele), the van der Waals energy (ΔΔEvdw), the internal energy (ΔΔEint), the polar solvation energy (ΔΔGsolpolar), and the nonpolar solvation energy (ΔΔGsolnonpolar).