Table VII.
Results of super long loop prediction in inexact environments
PDBID | Loop start | Loop length | Number of surrounding residues | exact environment | inexact environment | ||||
---|---|---|---|---|---|---|---|---|---|
Starting structure RMSD (Å) | Backbone RMSD (Å) | Side chain RMSD (Å) | Starting structure RMSD (Å) | Backbone RMSD (Å) | Side chain RMSD (Å) | ||||
1E6U | A274 | 14 | 28 | 0.00 | 0.27 | 0.85 | 3.37 | 0.31 | 1.07 |
1ZEQ | X53 | 14 | 61 | 0.00 | 0.21 | 2.10 | 3.52 | 0.28 | 2.08 |
2BWR | A269 | 14 | 69 | 0.00 | 0.31 | 1.70 | 3.35 | 0.58 | 2.64 |
3BY9 | A205 | 14 | 59 | 0.00 | 0.32 | 0.81 | 3.14 | 0.41 | 0.83 |
3EHR | A95 | 14 | 83 | 0.00 | 0.51 | 3.40 | 4.09 | 1.30 | 4.08 |
1QAZ | A298 | 15 | 51 | 0.00 | 0.99 | 3.00 | 3.46 | 2.18 | 4.52 |
1RA0 | A283 | 15 | 36 | 0.00 | 0.30 | 2.13 | 6.51 | 1.24 | 2.38 |
1RA0 | A361 | 15 | 81 | 0.00 | 0.52 | 1.66 | 5.10 | 0.52 | 1.70 |
3CSS | A95 | 15 | 52 | 0.00 | 0.52 | 1.39 | 3.06 | 1.98 | 3.62 |
1WM3 | A67 | 16 | 49 | 0.00 | 0.23 | 1.24 | 3.08 | 0.26 | 1.63 |
| |||||||||
Average | RMSD | 0.42 | 1.83 | 0.91 | 2.47 |
The RMSD of a starting structure was calculated as the backbone RMSD of the target loop in the starting structure, but the prediction of the loop was actually built from scratch.