TABLE 7.
Residue-by-residue side-chain RMSD values (Å) of each Phe analog relative to native gramicidin A
Residue | Phe15-gA | Phe13-gA | Phe11-gA |
---|---|---|---|
1 | 0.85 | 0.69 | 0.94 |
2 | —* | —* | —* |
3 | 0.66 | 0.58 | 0.69 |
4 | 1.15 | 0.86 | 2.04 |
5 | 0.48 | 0.76 | 0.67 |
6 | 0.96 | 0.51 | 0.35 |
7 | 0.39 | 0.41 | 0.37 |
8 | 0.73 | 1.70 | 0.30 |
9 | 0.55 | 0.48 | 0.79 |
10 | 0.84 | 0.63 | 1.66 |
11 | 0.93 | 0.70 | N/A |
12 | 1.40 | 2.37 | 0.98 |
13 | 0.60 | N/A | 0.64 |
14 | 1.72 | 1.68 | 1.40 |
15 | N/A | 0.47 | 0.85 |
The sites of substitution are omitted due to the presence of different residues at these locations. All RMSD values were calculated using the Crystallography and NMR System of Brunger et al. (1998).
There is no side-chain correlation for these Gly residues.