Table 1.
Results of the test with the first dataset to gauge the accuracy of the NNPIF. For each target, we show its PDB (Protein Data Bank) ID and length. We show Global Distance Test (GDT) scores for the best model, the average GDT over all of the models, the GDT for the best of the five final models selected via clustering and the RMSD for the best model and the average of the mutual GDT scores between the 1,000 reconstructed models. Avg., average; Clust., clustering.
Id. | Length | GDT Max | GDT Avg. | GDT Clust. | RMSDbest | m | |
---|---|---|---|---|---|---|---|
2E5TA | 46 | 0.4457 | 0.3651 | 0.4022 | 17.10 | 0.4942 | |
2EKFA | 61 | 0.3975 | 0.3073 | 0.3975 | 10.17 | 0.3782 | |
2K0NA | 85 | 0.3824 | 0.2709 | 0.3 | 6.83 | 0.2891 | |
2PQRC | 40 | 0.5125 | 0.3792 | 0.4125 | 4.91 | 0.4701 | |
2QFAB | 62 | 0.5202 | 0.3853 | 0.4556 | 5.58 | 0.4269 | |
2QKHA | 94 | 0.2926 | 0.2084 | 0.2394 | 9.92 | 0.2458 | |
2QZGA | 88 | 0.3239 | 0.228 | 0.2528 | 14.83 | 0.2742 | |
2VC8A | 72 | 0.3854 | 0.2689 | 0.3021 | 7.13 | 0.2801 | |
2YVRA | 45 | 0.4722 | 0.3613 | 0.4 | 5.40 | 0.4267 | |
3BRTB | 61 | 0.4016 | 0.3071 | 0.3607 | 18.87 | 0.3921 | |
1BDSA | 45 | 0.5233 | 0.3776 | 0.4709 | 4.01 | 0.4031 | |
1BH8A | 47 | 0.5944 | 0.433 | 0.5111 | 4.61 | 0.4338 | |
2EQFA | 48 | 0.4674 | 0.3322 | 0.3804 | 5.22 | 0.3815 | |
2JEEA | 80 | 0.4423 | 0.3116 | 0.3686 | 6.64 | 0.368 | |
2JP7A | 59 | 0.5088 | 0.3369 | 0.4211 | 5.36 | 0.3688 | |
2P9XA | 100 | 0.3316 | 0.2186 | 0.2423 | 10.04 | 0.2353 | |
2R9IA | 73 | 0.5486 | 0.4071 | 0.4514 | 10.98 | 0.4336 | |
2V6YA | 77 | 0.4433 | 0.3009 | 0.3367 | 7.31 | 0.3132 | |
2YQPA | 62 | 0.4583 | 0.3311 | 0.3958 | 10.42 | 0.3505 | |
2YRMA | 45 | 0.4593 | 0.3399 | 0.4128 | 8.94 | 0.3618 | |
3CJHA | 63 | 0.5962 | 0.3908 | 0.4279 | 4.53 | 0.4022 |