Table 2. Global structural properties.
System | Run | RMSD [Å] a | RMSF [Å] a | Rg [Å] b | ϕ [°] |
---|---|---|---|---|---|
AL3x∞ | 1 | 5.2 ± 0.6 | 1.1 ± 0.6 | 33.3 ± 0.2 | 1.5 ± 0.5 |
2 | 6.4 ± 1.4 | 1.7 ± 0.9 | 33.8 ± 0.8 | 1.6 ± 0.3 | |
AT3x∞ | 1 | 7.5 ± 0.6 | 0.9 ± 0.4 | 30.3 ± 0.2 | 2.4 ± 0.5 |
2 | 9.3 ± 1.9 | 2.5 ± 1.2 | 31.3 ± 0.6 | 0.8 ± 0.4 | |
AL3x12 | 1 | 6.1 ± 1.1 | 1.7 ± 0.6 | 34.2 ± 0.3 | 7.2 ± 2.8 |
2 | 5.9 ± 1.1 | 1.9 ± 0.7 | 34.3 ± 0.4 | 7.3 ± 1.3 | |
AT3x12 | 1 | 14.0 ± 3.5 | 3.3 ± 1.1 | 35.4 ± 1.9 | 14.6 ± 4.6 |
2 | 17.6 ± 5.1 | 4.8 ± 1.5 | 37.5 ± 3.1 | 17.8 ± 4.9 | |
AL3x6 | 1 | 5.7 ± 1.0 | 1.8 ± 0.7 | 29.0 ± 0.2 | 22.6 ± 5.9 |
2 | 5.5 ± 0.9 | 1.7 ± 0.7 | 29.0 ± 0.3 | 18.4 ± 4.6 | |
AT3x6 | 1 | 28.9 ± 10.8 | 11.9 ± 4.2 | 41.5 ± 7.2 | 30.0 ±11.2 |
2 | 12.7 ± 1.7 | 2.6 ± 1.0 | 27.9 ± 0.4 | 25.6 ± 5.5 | |
AL3x3 | 1 | 25.0 ± 8.3 | 9.3 ± 2.8 | 37.9 ± 4.2 | 88.9 ± 25.5 |
2 | 8.5 ± 1.3 | 2.4 ± 1.0 | 25.3 ± 0.6 | 49.3 ± 10.4 | |
AT3x3 | 1 | 15.9 ± 10.7 | 5.5 ± 1.9 | 29.2 ± 2.5 | 60.9 ± 17.0 |
2 | 20.9 ± 5.0 | 8.8 ± 3.0 | 34.4 ± 4.5 | 73.7 ± 20.5 |
a Calculated for residues 9–40.
b Averaged over all layers.