Table 2.
Summary of reference results on ppII. The red As represent the studied residues.
Reference | System | Methodology | (ϕ, ψ) of ppII | ppII population | other population |
---|---|---|---|---|---|
Tamburro3, 74 | PDB | (−75°, 145°) | |||
Hamm17–19 | A A | 2D IR | (−60°, 140°) | 80% | α = 20% |
Schweitzer-Stenner11–12 | A A | Polarized Raman, FTIR, VCD and ECD | (−60°, 150°) | 50% | β = 50% |
Schweitzer-Stenner16 | A A | Polarized Raman, FTIR, and VCD | (−70° ± 20°, 150° ± 20°) | 84% | β = 16% |
A A | (−69° ± 10°, 140° ± 10°) | 84% | β = 8%, α = 4%, γ = 5% | ||
Schweitzer-Stenner14 | A KA | Polarized Raman, FTIR, VCD, ECD and NMR | (−65°, 150°) | 63% | β = 7%, α = 30% |
A AA | (−65°, 150°) | 66% | β = 14%, α = 20% | ||
AA A | (−70°, 140°) | 73% | β = 17%, α = 10% | ||
Cho31 | Averaged A | NMR, used 3J(HN,Hα) from Ref20 | AMBER ff03 | 65% | β = 35% |
Gromos 43A1 | 88% | β = 12% | |||
Graf20 | A A | NMR | Gromos 43A1 | 84% | β = 16% |
This work | A A | Fitting | (−60°, 150°) | ||
C36 prediction | (−61°, 145°) | 59% | β = 22%, α = 12% | ||
Simulation based on C36 ensemble | (−61°, 145°) | ~100% |