Table 2.
Fraction Helix (Experiment) | Fraction Total Helix (MD Simulation) | Fraction α-Helix (MD Simulation) | Fraction 310-Helix (MD Simulation) | |
---|---|---|---|---|
Unphosphorylated | 0.42 ± 0.01 | 0.16 | 0.12 | 0.04 |
Phosphorylated | 0.37 ± 0.03 | 0.09 | 0.04 | 0.05 |
Given for maximum (60% v/v) TFE concentration (experiment) or lowest (ε = 20) dielectric constant (MD simulation).