Research Article
In Silico Determination and Validation of Baumannii Acinetobactin Utilization A Structure and Ligand Binding Site
Table 3
Models built by various methods/servers and their evaluation results.
| Method | Outlier | Allowed region | Favored region | Qmean | PROSA | Model/tool (template) |
| Template | 1.4% | 6.6% | 92% | 0.508 | −4.62 | 3QLB | Homology modelling | 1.3% | 5.4% | 93.3% | 0.424 | −4.04 | ESyPred3D (3qlb) | Esy pred model by refine server | 1.3% | 4.6% | 94.0% | 0.429 | −3.94 | Esypred (3qlb) | Homology modelling | 1.8% | 7.0% | 91.2% | 0.401 | −3.07 | ESyPred3D | Homology modelling | 2.4% | 6.4% | 91.3% | 0.386 | −3.9 | (ps)2 | Homology modelling | 3.2% | 7.6% | 89.2% | 0.398 | −3.16 | (Ps)2v2 | Homology modelling | 3.3% | 7.3% | 89.3% | 0.359 | −1.98 | MODELLER (3qlb) | Homology modelling | 9.9% | 10.7% | 79.4% | 0.288 | −0.24 | 3D-JIGSAW (3qlb) | Fold recognition | 2.2% | 4.0% | 93.8% | 0.448 | −3.8 | SPARKSX1 | Fold recognition | 2.4% | 5.0% | 92.7% | 0.412 | −3.03 | SPARKSX2 | Fold recognition | 2.1% | 5.4% | 92.5% | 0.437 | −3.91 | SPARKSX3 | Fold recognition | 2.6% | 4.8% | 92.5% | 0.394 | −3.97 | SPARKSX4 | Fold recognition | 2.2% | 4.8% | 92.9% | 0.417 | −2.75 | SPARKSX5 | Fold recognition | 2.5% | 6.4% | 91.1% | 0.358 | −1.75 | SPARKSX6 | Fold recognition | 2.4% | 5.0% | 92.7% | 0.399 | −2.26 | SPARKSX7 | Fold recognition | 3.0% | 5.8% | 91.1% | 0.352 | −1.79 | SPARKSX8 | Fold recognition | 3.5% | 7.9% | 88.9% | 0.402 | −3.1 | SPARKSX9 | Fold recognition | 3.3% | 5.1% | 91.6% | 0.364 | −1.78 | SPARKSX10 | Fold recognition and ab initio | 4.3% | 4.7% | 90.9% | 0.331 | −1.8 | Phyre2 | Multiple-threading alignments | 2.8% | 5.4% | 91.8% | 0.426 | −3.5 | I-TASSER | Fold recognition | 4.8% | 7.4% | 87.8% | 0.329 | −0.57 | LOOPP1 | Fold recognition | 7.3% | 8.8% | 83.9% | 0.343 | 0.33 | LOOPP2 | Fold recognition | 5.3% | 11.2% | 83.5% | 0.309 | 1.13 | LOOPP3 | Fold recognition | 5.8% | 8.5% | 85.7% | 0.289 | 0.92 | LOOPP4 | Fold recognition | 6.4% | 7.9% | 85.8% | 0.309 | 1.25 | LOOPP5 | Local meta-threading | 1.5% | 5.7% | 92.8% | 0.394 | −3.6 | LOMETS1 | Local meta-threading | 2.9% | 5.4% | 92.4% | 0.374 | −3.81 | LOMETS2 | Local meta-threading | 2.1% | 4.6% | 93.4% | 0.424 | −3.81 | LOMETS3 | Local meta-threading | 1.8% | 5.0% | 93.2% | 0.419 | −4.03 | LOMETS4 | Local meta-threading | 2.1% | 4.4% | 93.5% | 0.431 | −3.87 | LOMETS5 | Local meta-threading | 1.8% | 5.1% | 93.1% | 0.417 | −3.96 | LOMETS6 | Local meta-threading | 1.1% | 4.4% | 94.5% | 0.440 | −4.02 | LOMETS7 | Local meta-threading | 1.8% | 5.1% | 93.1% | 0.417 | −3.96 | LOMETS8 | Local meta-threading | 1.8% | 5.1% | 93.1% | 0.417 | −3.96 | LOMETS9 | Local meta-threading | 2.1% | 5.0% | 92.9% | 0.401 | −3.22 | LOMETS10 | Threading | 1.8% | 5.1% | 93.1% | 0.417 | −3.96 | MUSTER |
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