Table V.
Populations of Helical NH(i)-CO(i-4) and NH(i)-CO(i-3) Hydrogen Bonds in the Region of helix A (Residues 4-19) That Makes Contacts to the Ligand in the Simulations of the Barley LTP-Palmitate Complex.
| HN-CO | NMR structure | WT_LA_310 | WT_LA_NOE_310 | WT_LAH_310 | WT_LB_NOE_400 | M12_LAH_310 | M12,70_LAH_310 |
|---|---|---|---|---|---|---|---|
| 10-6 | 100 | 91 | 78 | 96 | 99 | 94 | |
| 10-7 | 5 | 15 | 2 | 1 | 13 | ||
| 11-7 | 100 | 30 | 93 | 91 | 96 | 87 | |
| 11-8 | 30 | 1 | 1 | 1 | 3 | ||
| 12-8 | Pro | Pro | Pro | Pro | Pro | 61 | 85 |
| 12-9 | Pro | Pro | Pro | Pro | Pro | 9 | 2 |
| 13-9 | 5 | 6 | 64 | 88 | |||
| 13-10 | 100 | 32 | 42 | 11 | 3 | ||
| 14-10 | 54 | 1 | 34 | 16 | 80 | ||
| 14-11 | 11 | 6 | 2 | 4 | |||
| 15-11 | 1 | 31 | 15 | ||||
| 15-12 | 29 | 17 | |||||
| 16-12 | 15 | 45 | |||||
| 16-13 | 15 | 30 | 18 | 6 | |||
| 17-13 | 100 | 46 | 57 | 57 | 27 | ||
| 17-14 | 5 | 5 | 1 | 14 | 4 | ||
| 18-14 | 100 | 88 | 63 | 24 | 54 | 51 | 91 |
| 18-15 | 5 | 14 | 28 | 1 | 15 | 3 | |
| 19-15 | 100 | 58 | 71 | 58 | 2 | 79 | 54 |
| 19-16 | 27 | 17 | 25 | 30 | 9 | 29 |
The hydrogen bonds in the 1be2 NMR structure (model 1) are included for comparison and the presence and position of the proline residue is shown (Pro).