Table 1.
Summary of the structure modeling on 24 benchmark GPCRs. Values in parenthesis are for the transmembrane region (see also Tables S1–S4 in Supplemental Information).
| Template filter | Methods | <RMSD> (Å) | <TM-score> |
|---|---|---|---|
| Excluding all homologous templates | Threadinga | 5.74 (3.70) | 0.675 (0.755) |
| MODELLERb | 8.07 (3.85) | 0.694 (0.764) | |
| GPCR-I-TASSER (ali)c | 4.22 (2.32) | ||
| GPCR-I-TASSERd | 5.09 (2.40) | 0.806 (0.868) | |
| Excluding all homologous & membrane protein templates | Threadinga | 12.46 (10.25) | 0.096 (0.102) |
| MODELLERb | 21.74 (11.42) | 0.142 (0.149) | |
| Ab Initio Folding (1)e | 11.39 (8.96) | 0.389 (0.389) | |
| Ab Initio Folding (B)f | 10.81 (8.31) | 0.412 (0.419) | |
| GPCR-I-TASSER (1)e | 8.57 (6.37) | 0.517 (0.517) | |
| GPCR-I-TASSER (B)f | 8.35 (6.25) | 0.524 (0.526) |
a
Best template by LOMETS;
b
MODELLER model based on the best template;
c
RMSD of the first model in the threading aligned region;
d
RMSD and TM-score of the first model in entire chain;
e
First model;
f
The best in top five models.