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. 2019 Nov 12;17(11):e3000472. doi: 10.1371/journal.pbio.3000472

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