Table 4.
Peptide comparisons |
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More stable coiled-coil | Less stable coiled-coil | ΔΔGuobs coiled-coil (kcal mole−1) | Description of stabilizing contribution | ΔΔGuobs per substitution (kcal mole−1) | ΔΔGuobs correctedd (kcal mole−1) |
Hybrid 2 | L7A | 1.44 | Hydrophobic contribution of Leu (g) vs. Ala | 0.74 | 0.74 |
Hybrid 2 | L26A | 1.38 | Hydrophobic contribution of Leu (e) vs. Ala | 0.69 | 0.69 |
Hybrid 2 | E14A | 1.06 | Electrostatic and H-bond attractions uncorrected for α-helix propensity | 0.53 | 0.75 |
Hybrid 2 | K19A | 1.39 | Electrostatic and H-bond attractions uncorrected for α-helix propensity | 0.70 | 0.70 |
Hybrid 2 | E14A, K19A | 1.08 | Electrostatic and H-bond attractions uncorrected for α-helix propensity | 0.54 | 0.76 |
E14A, K19A | K19A | 0.45a | Helix propensity of Ala vs. Glu (g) | 0.22 | — |
E14A, K19A | E14A | 0.00 | Helix propensity of Ala vs. Lys (e) | 0.00 | — |
K19A | K19E | 1.53b | Removal of electrostatic repulsions uncorrected for α-helix propensity | 0.77 | 0.55 |
Hybrid 2 | K19E | 3.06c | Removal of electrostatic repulsions and replacement with electrostatic and H-bond attractions | — | — |
a The α-helix propensity effect of E14 to A14 is calculated from the equation ΔΔGuobs = ([urea]1/2(E14A, K19A) − [urea]1/2(K19A))*(mE14A, K19A + mK19A)/2 (from Serrano and Fersht 1989).
b The stabilizing effects of removing two electrostatic repulsions is calculated from ΔΔGuobs = ([urea]1/2(K19A) − [urea]1/2(K19E)*(mK19A + mK19E)/2 (from Serrano and Fersht 1989).
c Observed values of ΔΔGu, coiled coil = 3.06 kcal mole−1 can be compared with the calculated corrected values from the loss of two electrostatic repulsions 2*(0.55), plus the gain of the average value for two electrostatic attractions and H-bonding 2*(0.73), = 2.56 kcal mole−1.
d ΔΔGuobs corrected is the ΔΔGuobs per substitution corrected for α-helix propensity effects. The α-helix propensity of Ala compared to Glu is 0.22 kcal mole−1, which means that the stabilizing effect of an electrostatic and H-bond attraction is the ΔΔGuobs value of 0.54 kcal mole−1 plus 0.22 kcal mole−1 to give 0.76 kcal mole−1.