Table 3. Comparison of performance of distance-dependent energy, dihedral-dependent energy, and total energy of 3dRNAscore in test set II.
Decoy | RNA | Length | Method | Enrichment score (DI) | ||
---|---|---|---|---|---|---|
Distance term | Dihedral term | Total | ||||
Position restrained dynamics and REMD (A) | 1duq | 26 | X-ray | 8.2 | 7.5 | 8.3 |
1f27 | 30 | X-ray | 7.9 | 5.7 | 8.1 | |
1msy | 27 | X-ray | 7.4 | 6.7 | 7.6 | |
1nuj | 24 | X-ray | 7.3 | 7.5 | 7.4 | |
434d | 14 | X-ray | 7.5 | 7.0 | 7.6 | |
Normal modes (B) | 1duq | 26 | X-ray | 6.3 | 4.8 | 6.9 |
1esy | 19 | NMR | 6.5 | 5.2 | 6.5 | |
1f27 | 30 | X-ray | 6.7 | 4.3 | 6.7 | |
1i9v | 76 | X-ray | 5.5 | 4.6 | 5.5 | |
1kka | 17 | NMR | 6.9 | 2.6 | 6.9 | |
1msy | 27 | X-ray | 6.3 | 4.7 | 6.7 | |
1nuj | 24 | X-ray | 4.5 | 1.6 | 4.5 | |
1qwa | 21 | NMR | 3.5 | 2.2 | 3.7 | |
1×9k | 62 | X-ray | 3.1 | 2.5 | 3.1 | |
1xjr | 46 | X-ray | 5.8 | 4.8 | 6.2 | |
1ykq | 19 | X-ray | 5.2 | 5.0 | 5.0 | |
1zih | 12 | NMR | 5.9 | 3.4 | 6.9 | |
28sp | 28 | NMR | 6.1 | 5.4 | 5.7 | |
2f88 | 34 | NMR | 3.9 | 3.2 | 4.1 | |
434d | 14 | X-ray | 6.5 | 5.2 | 6.9 | |
FARNA (C) | 1a4d | 41 | NMR | 1.8 | 2.4 | 2.1 |
1csl | 28 | X-ray | 2.2 | 1.8 | 2.4 | |
1dqf | 19 | X-ray | 3.6 | 2.0 | 3.6 | |
1esy | 19 | NMR | 3.8 | 2.4 | 3.8 | |
1i9x | 26 | X-ray | 4.2 | 1.6 | 4.0 | |
1j6s | 24 | X-ray | 0.6 | 2.2 | 1.6 | |
1kd5 | 22 | X-ray | 2.4 | 1.6 | 2.4 | |
1kka | 17 | NMR | 1.7 | 0.8 | 2.0 | |
1l2x | 27 | X-ray | 0.4 | 1.4 | 1.5 | |
1mhk | 32 | X-ray | 1.2 | 0.6 | 1.4 | |
1q9a | 27 | X-ray | 3.0 | 1.6 | 3.2 | |
1qwa | 21 | NMR | 1.2 | 0.6 | 1.4 | |
1xjr | 46 | X-ray | 3.0 | 1.8 | 3.2 | |
1zih | 12 | NMR | 6.8 | 2.4 | 6.8 | |
255d | 24 | X-ray | 1.8 | 0.8 | 2.0 | |
283d | 24 | X-ray | 1.7 | 0.6 | 1.8 | |
28sp | 28 | NMR | 3.6 | 4.2 | 3.8 | |
2a43 | 26 | X-ray | 2.8 | 1.4 | 3.2 | |
2f88 | 34 | NMR | 3.5 | 2.1 | 3.6 | |
Average values | (A) | 7.66 | 6.88 | 7.80 | ||
(B) | 5.51 | 3.97 | 5.69 | |||
(C) | 2.59 | 1.70 | 2.83 | |||
X-ray | 4.43 | 3.43 | 4.65 | |||
NMR | 4.25 | 2.84 | 4.41 | |||
All | 4.37 | 3.24 | 4.57 |