Table 5 Change in percent population of PPII backbone conformations (−90° < φ < −25°; 80° < ψ < 180°) for ΔaPro residues in 10, 15, 19, and 21 (relative to wt residues in 7) from MD simulations
From: Stabilization of a miniprotein fold by an unpuckered proline surrogate
Change in PPII population | |||
|---|---|---|---|
Peptide | Substitution | Chain 1 | Chain 2 |
10 | Gln4 → ΔaPro4 | +11.4% | +6.5% |
15 | Gln4 → ΔaPro4 | +12.0% | +6.2% |
15 | Thr6 → ΔaPro6 | +18.8% | +34.6% |
19 | Pro13 → ΔaPro13 | +2.4% | −0.3% |
21 | Gln4 → ΔaPro4 | +11.6% | +6.5% |
21 | Thr6 → ΔaPro6 | +15.3% | +29.8% |
21 | Pro13 → ΔaPro13 | −6.5% | −9.0% |
