Table 3 Ranking and Selectivity
From: Protein structure prediction by all-atom free-energy refinement
| Â | Â | Â | Â | LogPB1 | LogPB10 | Selectivity | |||||
|---|---|---|---|---|---|---|---|---|---|---|---|
pdb | nres | <3 | 3–4 | PFF01 | D-Score | Self RAPDF | PFF01 | D-Score | Self RAPDF | PFF01 | Self RAPDF |
1res | 35 | 0.97 | 0.02 | -0.51 | -0.56 | -0.41 | -0.86 | -0.57 | -0.57 | Yes | Yes |
1uxd | 43 | 0.62 | 0.12 | -0.70 | -1.02 | -1.20 | -2.43 | -1.21 | -2.43 | Yes | Yes |
2pdd | 43 | 0.09 | 0.22 | -0.10 | -0.27 | -1.01 | -0.59 | -1.09 | -1.56 | Yes | Yes |
1dv0 | 45 | 0.00 | 0.10 | -0.06 | -0.74 | -0.63 | -1.57 | -1.22 | -2.05 | Yes | Yes |
1gab | 47 | 0.37 | 0.23 | -0.72 | -0.74 | -0.64 | -1.32 | -0.74 | -0.70 | Yes | No |
1vif | 48 | 0.28 | 0.02 | -0.10 | -0.91 | -0.97 | -0.87 | -1.03 | -0.97 | Yes | No |
1aa3 | 56 | 0.01 | 0.17 | -0.32 | -0.68 | -0.52 | -2.96 | -0.77 | -0.70 | Yes | No |
1bw6 | 56 | 0.14 | 0.21 | -0.37 | -2.22 | -1.04 | -2.68 | -2.50 | -2.22 | Yes | Yes |
1am3 | 57 | 0.30 | 0.09 | -0.14 | -0.89 | -2.38 | -0.25 | -1.92 | -2.38 | No | Yes |
1pgx | 57 | 0.12 | 0.18 | -0.08 | -0.60 | -0.37 | -1.04 | -0.60 | -0.47 | Yes | No |
1r69 | 61 | 0.22 | 0.07 | -1.60 | -0.90 | -1.82 | -2.46 | -1.03 | -1.82 | Yes | Yes |
1a32 | 65 | 0.23 | 0.08 | -1.12 | -0.66 | -0.97 | -1.91 | -1.02 | -1.41 | Yes | Yes |
2ezh | 65 | 0.01 | 0.17 | -0.41 | -0.57 | -0.86 | -1.75 | -2.24 | -1.06 | Yes | Yes |
1nre | 66 | 0.08 | 0.14 | -0.09 | -0.80 | -0.94 | -1.62 | -1.50 | -2.68 | Yes | Yes |
1sro | 66 | 0.00 | 0.14 | -1.26 | -0.61 | -0.66 | -1.26 | -0.83 | -0.84 | Yes | No |
2fow | 66 | 0.00 | 0.12 | -0.63 | -1.49 | -1.25 | -0.63 | -2.22 | -1.39 | Yes | No |
1ctf | 67 | 0.00 | 0.19 | -0.03 | -0.80 | -0.27 | -0.81 | -2.44 | -1.64 | Yes | No |
1nkl | 70 | 0.00 | 0.14 | -0.27 | -0.96 | -0.96 | -1.27 | -1.41 | -1.03 | Yes | Yes |
1pou | 70 | 0.01 | 0.10 | -0.88 | -0.77 | -2.13 | -1.03 | -2.13 | -2.80 | Yes | Yes |
1mzm | 71 | 0.00 | 0.16 | -0.82 | -0.64 | -0.32 | -1.61 | -0.66 | -0.85 | Yes | No |
1afi | 72 | 0.02 | 0.24 | -0.93 | -1.85 | -2.18 | -1.56 | -2.22 | -2.78 | Yes | Yes |
1kjs | 74 | 0.00 | 0.17 | -0.88 | -1.39 | -1.39 | -2.43 | -1.68 | -2.16 | Yes | Yes |
5pti | 55 | 0.00 | 0.00 | -0.13 | -0.50 | -0.50 | -0.69 | -1.28 | -1.28 | No | No |
1orc | 56 | 0.00 | 0.09 | -0.01 | -0.74 | -0.74 | -0.74 | -1.09 | -1.03 | Yes | No |
1dol | 62 | 0.00 | 0.00 | -0.12 | -1.27 | -0.69 | -0.57 | -1.27 | -1.58 | No | No |
1utg | 62 | 0.00 | 0.01 | -0.11 | -0.55 | -0.73 | -1.38 | -0.73 | -0.80 | Yes | No |
1csp | 64 | 0.00 | 0.02 | -0.51 | -0.70 | -0.58 | -0.62 | -1.03 | -1.47 | No | No |
1ail | 67 | 0.00 | 0.02 | -0.70 | -1.28 | -1.77 | -2.78 | -1.77 | -3.26 | Yes | Yes |
1lfb | 69 | 0.00 | 0.04 | -0.25 | -0.98 | -1.86 | -3.28 | -1.65 | -2.02 | Yes | Yes |
1hyp | 75 | 0.00 | 0.00 | -0.36 | -0.75 | -0.89 | -0.53 | -1.62 | -1.09 | No | No |
2fxb | 81 | 0.00 | 0.00 | -0.41 | -1.49 | -0.87 | -1.51 | -2.30 | -2.65 | No | No |
1cei | 85 | 0.00 | 0.00 | -0.55 | -1.01 | -1.18 | -0.59 | -2.80 | -2.38 | No | No |