Table 3.
Pore Radius (Å), Tilt Angles (Degrees), Number of Waters inside the Pore, Number of Lipid Headgroups (Phosphorus) inside the Pore, and Average Helicity (%) in Different Systems over the Last 2 μs
| Quantity | Melittin | MelP5 | pHD15, Low pH | pHD15, Very Low pH | ||
|---|---|---|---|---|---|---|
| Radius (Å) | 4 ± 2 | 5 ± 1 | 4 ± 1 | 9 ± 1 | – | |
| Tilt angles (degrees) | A | 17 ± 7 | 33 ± 6 | 163 ± 5 | 130 ± 10 | |
| B | 33 ± 6 | 71 ± 6 | 165 ± 5 | 138 ± 9 | – | |
| C | 19 ± 8 | 13 ± 6 | 151 ± 6 | 133 ± 6 | – | |
| D | 12 ± 6 | 32 ± 7 | 145 ± 6 | 129 ± 8 | – | |
| E | 14 ± 6 | 27 ± 8 | 156 ± 6 | 137 ± 7 | – | |
| F | 13 ± 7 | 60 ± 6 | 138 ± 5 | 130 ± 10 | – | |
| All | 18 ± 10 | 39 ± 21 | 153 ± 11 | 133 ± 9 | – | |
| Water | 117 ± 29 | 146 ± 29 | 173 ± 22 | 308 ± 55 | – | |
| Phosphorus | 5 ± 2 | 4 ± 2 | 5 ± 2 | 8 ± 2 | – | |
| Helicity (%) | 79 | 83 | 74 | 85 | – | |
| mac70, pH 7 | mac70, Low pH | mac70, Very Low pH | MelP5_Δ6, Low pH | MelP5_Δ6, Very Low pH | ||
| Radius (Å) | 7 ± 1 | 5 ± 1 | 10 ± 1 | 6 ± 1 | 4 ± 1 | |
| Tilt angles (degrees) | A | 131 ± 7 | 144 ± 5 | 134 ± 7 | 40 ± 11 | 59 ± 5 |
| B | 140 ± 7 | 146 ± 6 | 140 ± 7 | 89 ± 7 | 45 ± 5 | |
| C | 131 ± 5 | 151 ± 5 | 140 ± 6 | 27 ± 8 | 28 ± 6 | |
| D | 145 ± 8 | 144 ± 6 | 118 ± 8 | 51 ± 8 | 19 ± 5 | |
| E | 132 ± 10 | 150 ± 5 | 135 ± 7 | 37 ± 7 | 50 ± 5 | |
| F | 138 ± 7 | 153 ± 4 | 133 ± 8 | 41 ± 10 | 28 ± 5 | |
| All | 136 ± 9 | 148 ± 6 | 133 ± 10 | 47 ± 22 | 38 ± 15 | |
| Water | 268 ± 37 | 149 ± 25 | 354 ± 52 | 166 ± 32 | 177 ± 22 | |
| Phosphorus | 4 ± 2 | 4 ± 1 | 8 ± 2 | 7 ± 2 | 6 ± 2 | |
| Helicity (%) | 84 | 80 | 88 | 80 | 81 | |