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. 2003 Jul;12(7):1395–1405. doi: 10.1110/ps.0241403

Table 4.

Contributions of α-helix propensity, hydrophobic and electrostatic interactions to coiled-coil stability

Peptide comparisons
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.