Table 3. Comparison of α (degrees), Calculated Using the Theoretical Model, to the MC Simulations and Previous Dataa.
peptide | membrane | theoretical model | MC | previous data |
---|---|---|---|---|
WALP19 | DLPC | 19 | 17.1 ± 7.5 | 11 (NMR)41 |
13.5 ± 7.2 (MD)33 | ||||
DMPC | 14 | 4 (NMR)41 | ||
13.3 ± 6.6 | 12.1 (MD)9 | |||
13 (MD)38 | ||||
WALP23 | DLPC | 28 | 24.4 ± 9.7 | 17.5 ± 7.6 (MD)33 |
23.7 ± 8.8 (MD)35 | ||||
29 ± 5 (NMR)37 | ||||
36 (NMR)41 | ||||
DMPC | 19 | 17.3 ± 8.4 | 14 ± 5 (NMR)37 | |
20.8 ± 1.4 (NMR)34 | ||||
22 (NMR)41 | ||||
26.9 ± 6.7 (MD)40 | ||||
28 (MD)38 | ||||
28.1 (MD)9 | ||||
33.5 (MD)36 | ||||
36 ± 19 (MD)28 | ||||
DPPC | 13 | 13.1 ± 7.1 | 12.3 ± 6.5 (MD)35 | |
∼15 (MD)39 | ||||
WALP27 | DMPC | 21 | 29.2 ± 9.7 | 43.3 (MD)9 |
The method used is listed in parentheses. Where possible, the values are shown as average ± standard deviation. NMR, nuclear magnetic resonance; MD, molecular dynamics.