Table 3.
Discrimination of native structures in Decoys 'R' Us multiple decoys sets
| Resolution, Å | Rank of native structure | Z-score of native structure | Number of decoys | RMSD range, Å | |
|---|---|---|---|---|---|
| 4state_reduced | |||||
| 1sn3 | 1.20 | 1 | 5.3 | 660 | 1.3 - 9.1 |
| 4rxn | 1.20 | 1 | 5.7 | 677 | 1.4 - 8.1 |
| 4pti | 1.50 | 1 | 4.4 | 686 | 1.4 - 9.3 |
| 1ctf | 1.70 | 1 | 4.7 | 630 | 1.3 - 9.1 |
| 1r69 | 2.00 | 1 | 6.6 | 676 | 0.9 - 8.3 |
| 3icb | 2.30 | 15 | 2.5 | 654 | 0.9 - 9.4 |
| 2cro | 2.35 | 1 | 4.1 | 673 | 0.8 - 8.3 |
| fisa | |||||
| 4icb | 1.60 | 1 | 6.6 | 500 | 4.8 - 14.1 |
| 2cro | 2.35 | 1 | 5.4 | 501 | 4.3 - 12.6 |
| 1fc2 | 2.80 | 33 | 1.6 | 501 | 3.1 - 10.6 |
| 1hdd-C | 2.80 | 1 | 5.3 | 501 | 2.8 - 12.9 |
| fisa_casp3 | |||||
| smd3 | ? | 1 | 7.1 | 1200 | 8.5 - 17.0 |
| 1bg8-A | 2.20 | 1 | 6.1 | 1200 | 6.0 - 15.8 |
| 1bl0 | 2.30 | 1 | 6.0 | 972 | 3.6 - 18.2 |
| 1eh2 | NMR | 1 | 4.4 | 2413 | 4.0 - 15.3 |
| 1jwe | NMR | 1 | 8.3 | 1407 | 7.8 - 20.9 |
| lattice_ssfit | |||||
| 4icb | 1.60 | 1 | 5.1 | 1988 | 4.7 - 12.9 |
| 1ctf | 1.70 | 1 | 6.2 | 1999 | 5.4 - 12.8 |
| 1fca | 1.80 | 1 | 4.2 | 1986 | 5.1 - 11.4 |
| 1pgb | 1.92 | 1 | 6.2 | 1997 | 5.8 - 12.9 |
| 1beo | 2.20 | 1 | 6.6 | 1998 | 7.0 - 15.6 |
| 1dkt-A | 2.90 | 1 | 5.5 | 1995 | 6.7 - 14.0 |
| 1nkl | NMR | 1 | 5.2 | 1995 | 5.3 - 13.6 |
| 1trl-A | NMR | 1 | 5.8 | 1998 | 5.4 - 12.5 |
| lmds | |||||
| 1igd | 1.10 | 1 | 8.1 | 501 | 3.1 - 12.6 |
| 2ovo | 1.50 | 1 | 5.6 | 348 | 4.4 - 13.4 |
| 4pti | 1.50 | 1 | 5.2 | 344 | 4.9 - 13.2 |
| 1ctf | 1.70 | 1 | 7.6 | 496 | 3.6 - 12.5 |
| 1b0n-B | 1.90 | 1 | 5.3 | 498 | 2.4 - 6.0 |
| 1shf-A | 1.90 | 1 | 7.7 | 437 | 4.4 - 12.3 |
| 2cro | 2.35 | 1 | 7.7 | 501 | 3.9 - 13.5 |
| 1fc2 | 2.80 | 49 | 1.5 | 501 | 4.0 - 8.4 |
| 1bba | NMR | 501 | -3.8 | 501 | 2.8 - 8.9 |
| 1dtk | NMR | 3 | 3.6 | 216 | 4.3 - 12.6 |
Each decoy structure and the native structure were scored and ranked using the Hunter's ScSc term only. Rank of 1 corresponds to the structure with the lowest score. The Z-score of the native structure was calculated to estimate Hunter's ability to discriminate the native structure from decoy structures. Resolution is of the X-ray structure.