Table 1. Validation scores for all models.
Protein | Model | CCmask | CCbox | CCpeaks | CCvolume | FSC Average | Molprobity Score | Clash Score | Rama. Favored (%) | Rama. Allowed (%) | Rama. Outliers (%) | CaBLAM Outliers | RMSD B Length (Å) | RSMD Angles (°) |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Afp1 | Foldit | 0.9 | 0.64 | 0.67 | 0.89 | 0.51 | 0.5 | 0 | 98.64 | 1.36 | 0 | 0.69 | 0.008 | 0.684 |
Microscopist | 0.93 | 0.68 | 0.72 | 0.91 | 0.53 | 1.52 | 3.52 | 94.52 | 4.11 | 1.37 | 2.78 | 0.008 | 0.872 | |
ARP/wARP | 0.92 | 0.68 | 0.72 | 0.90 | 0.53 | 1.80 | 7.66 | 94.37 | 4.93 | 0.70 | 2.14 | 0.007 | 0.955 | |
Phenix | 0.85 | 0.63 | 0.67 | 0.81 | 0.44 | 1.83 | 6.17 | 91.75 | 8.25 | 0 | 0 | 0.006 | 0.754 | |
Buccaneer | 0.90 | 0.61 | 0.66 | 0.87 | 0.51 | 1.60 | 2.73 | 90.51 | 9.49 | 0 | 5.88 | 0.006 | 0.918 | |
Rosetta | 0.79 | 0.51 | 0.54 | 0.77 | --- | 1.47 | 1.32 | 87.32 | 11.27 | 1.41 | 7.35 | 0.007 | 1.007 | |
Afp5 | Foldit | 0.86 | 0.72 | 0.75 | 0.83 | 0.54 | 1.13 | 1.25 | 95.92 | 4.08 | 0 | 0.69 | 0.007 | 0.738 |
Microscopist | 0.9 | 0.77 | 0.81 | 0.87 | 0.55 | 1.45 | 1.67 | 90.48 | 9.52 | 0 | 4.83 | 0.008 | 0.896 | |
ARP/wARP | 0.88 | 0.75 | 0.79 | 0.85 | 0.55 | 2.06 | 8.38 | 87.91 | 10.23 | 1.86 | 8.53 | 0.08 | 1.493 | |
Phenix | 0.83 | 0.69 | 0.73 | 0.78 | 0.42 | 1.95 | 4.14 | 78.45 | 21.55 | 0 | 6.73 | 0.008 | 1.225 | |
Buccaneer | 0.84 | 0.70 | 0.74 | 0.80 | 0.50 | 1.72 | 4.82 | 92.41 | 7.59 | 0 | 3.05 | 0.009 | 1.167 | |
Rosetta | 0.69 | 0.56 | 0.58 | 0.65 | --- | 1.59 | 1.66 | 84.14 | 15.17 | 0.69 | 9.22 | 0.006 | 1.004 | |
Afp7 | Foldit | 0.86 | 0.72 | 0.75 | 0.84 | 0.52 | 0.84 | 1.2 | 98.13 | 1.87 | 0 | 0.47 | 0.004 | 0.667 |
Microscopist | 0.87 | 0.75 | 0.79 | 0.85 | 0.50 | 1.83 | 4.81 | 88.79 | 11.21 | 0 | 8.02 | 0.006 | 1.082 | |
ARP/wARP | 0.88 | 0.75 | 0.79 | 0.85 | 0.53 | 2.06 | 8.38 | 87.91 | 10.23 | 1.86 | 8.53 | 0.008 | 1.493 | |
Phenix | 0.8 | 0.69 | 0.72 | 0.74 | 0.45 | 2.05 | 6.18 | 81.82 | 17.05 | 1.14 | 0 | 0.008 | 1.392 | |
Buccaneer | 0.85 | 0.73 | 0.76 | 0.82 | 0.50 | 1.88 | 5.98 | 90.00 | 10.00 | 0 | 5.71 | 0.007 | 1.083 | |
Rosetta | 0.66 | 0.44 | 0.47 | 0.61 | --- | 1.6 | 2.1 | 87.02 | 12.98 | 0 | 6.5 | 0.005 | 0.863 | |
Afp9 | Foldit | 0.85 | 0.75 | 0.78 | 0.83 | 0.47 | 1.06 | 2.75 | 98.21 | 1.79 | 0 | 1.82 | 0.009 | 0.829 |
Microscopist | 0.87 | 0.79 | 0.82 | 0.85 | 0.46 | 1.58 | 2.76 | 91.07 | 7.14 | 1.79 | 6.36 | 0.007 | 1.082 | |
ARP/wARP | 0.86 | 0.78 | 0.81 | 0.84 | 0.47 | 2.19 | 10.27 | 86.11 | 13.89 | 0 | 11.32 | 0.007 | 0.952 | |
Phenix | 0.83 | 0.73 | 0.76 | 0.8 | 0.41 | 1.68 | 2.78 | 87.18 | 12.82 | 0 | 5 | 0.006 | 1.042 | |
Buccaneer | 0.81 | 0.69 | 0.72 | 0.78 | 0.41 | 2.00 | 5.21 | 80.85 | 17.02 | 2.13 | 6.67 | 0.009 | 1.251 | |
Rosetta | 0.81 | 0.72 | 0.74 | 0.79 | --- | 1.69 | 3.85 | 91.07 | 8.93 | 0 | 4.55 | 0.007 | 1.476 |
For each of the 4 different proteins, any method that outperformed the other 5 for a particular metric is shaded in green, with any method outperformed by the other 5 shaded red. CCmask, CCbox, CCpeaks, and CCvolume are correlation coefficients calculated between the model and the map. The differences between these correlation coefficients arise from whether the entire map is used (CCbox), only the map around the atomic centers (CCmask), the molecular envelope defined by the model (CCvolume), or the strongest peaks in the model and map (CCpeaks) [14]. CaBLAM uses the geometry of Cɑ atoms to evaluate low-resolution structures [35]. Clashscore reports on the number and severity of steric clashes in a model, and Molprobity score combines the Clashscore with other geometric factors to provide an overall evaluation of model quality [35].
AFP, antefeeding prophage; FSC, Fourier shell correlation; Rama., Ramachandran; RMSD, root mean square deviation