TABLE 1.
SFR2 model assessment scores
The first and second panels list the type of assessment and the value reported. Abbreviations used are as follows: ND, not determined. SFR2_1, SFR2_2, and SFR2_3 are the direct Modeller outputs, as described under “Experimental Procedures.”
| Assessment | SFR2_1 | SFR2_2 | SFR2_3 | SFR2_2 Energy-minimized | SFR2_2 MGDG-bound | |
|---|---|---|---|---|---|---|
| ProCheck | G-factor | −0.23 | −0.19 | −0.31 | −0.04 | −0.02 |
| Ramachandran | Core | 83.7 | 83.7 | 82.5 | 84.3 | 81.7 |
| Allowed | 13.7 | 12.7 | 13.2 | 12.4 | 15.9 | |
| Generously allowed | 1.2 | 1.9 | 2.6 | 2.9 | 1.7 | |
| Disallowed | 1.4 | 1.7 | 1.7 | 0.5 | 0.7 | |
| SwissModel | Z-score | −2.25 | −1.91 | −2.23 | −1.90 | −2.26 |
| ModEval | GA341 | 1 | 1 | 1 | ND | ND |
| MolProbity | Clash score | 116.1 | 131.1 | 138.0 | 0.78 | 0.52 |
| YASARA | Energy (kJ/mol) | ND | 38,803 | ND | −214,987 | −218,476 |