Table 2.
Structural data of 300 K replica. Root-mean-square deviation (RMSD) in Å and angles in degrees. Secondary structural elements in the spacer regions (residues 82–107) are given as a percentage of all spacer residues; π-helices and bridges are not reported.
| Region | Property | AP | AA |
|---|---|---|---|
| Overall | RMSD | 9.2 ± 1.0 | 11.5 ± 0.8 |
| Total bending angle | 13.2 ± 7.5 | 55.5 ± 18.7 | |
| In-plane bending angle | 6.5 ± 0.7 | 16.0 ± 5.6 | |
| Out-of-plane bending angle | 5.4 ± 4.2 | 31.3 ± 18.9 | |
| Spacer region | RMSD | 9.6 ± 1.5 | 11.4 ± 3.4 |
| % 310-helix | 4.1 | 4.3 | |
| % 31-helix | 0.1 | 0.1 | |
| % β-turn | 30.6 | 35.6 | |
| % Coil | 32.5 | 33.4 | |
| % β-sheet | 26.4 | 18.9 | |
| % α-helix | 0.7 | 0.9 |