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Modeling results for the EC1+EC2+EC3 packages
| GPCR | ||||||
|---|---|---|---|---|---|---|
| bRh | sRh | β2AR | β1AR | A2AR | ||
| Number of initial structures | 8604 | 8760 | 1032 | 5264 | 3060 | |
| Selection criteria | ΔE < 50 kcal/mol | 1076 | 531 | 95 | 352 | 228 |
| Ecl < 30 kcal/mol | 1040 | 497 | 95 | 352 | 170 | |
| No clashes with TM | 884 | 378 | 95 | 261 | 149 | |
| Number of clusters | 78 | 65 | 12 | 32 | 36 | |
| Best rms values, Å | EC1+EC2+EC3 | 4.4 | 4.6 | 3.6 | 4.4 | 5.2 |
| EC1 | 2.5 | 1.4 | 1.7 | 2.0 | 1.7 | |
| EC2 | 4.7 | 4.8 | 3.8 | 4.3 | 5.9 | |
| EC3 | 1.3 | 2.8 | 2.0 | 2.0 | 1.8 | |
| EC1+EC2+EC3 (starting from X-ray) |
3.0 | 3.0 | 2.6 | 1.8 | - | |
