Table 2:
Results from 100 trials of our “leave-10%-out” model robustness test for binding (A) and folding (B). The feature is indicated by the first column. The second column indicates the average rank across all trials the given feature appeared in, lower numbers suggest more robust features. The third column shows the standard error associated with the average. The fourth column indicates the average ΔR2 from all trials the feature appeared in (higher numbers suggest more robustness), the fifth column indicates the total number of trials a given feature occurred in out of 100 possible, the sixth column indicates whether the feature was present in the full model, and the last column indicates the rank of the feature in the full model.
2A Binding Validation | ||||||
---|---|---|---|---|---|---|
Feature | Mean Rank |
Mean Rank SE |
Average ΔR2 |
Number of Models (/100) |
In Full Model |
Full Model Rank |
Complex Type | 1.04 | 0.02 | 0.134 | 100 | Yes | 1 |
Charge | 2.01 | 0.036 | 0.082 | 100 | Yes | 2 |
Separation | 3.66 | 0.118 | 0.0560 | 100 | Yes | 3 |
Sizenet | 4.45 | 0.097 | 0.047 | 100 | Yes | 5 |
Interaction side | 4.66 | 0.118 | 0.046 | 100 | Yes | 4 |
SASA | 5.64 | 0.097 | 0.0380 | 100 | Yes | 6 |
Secondary Structure | 6.68 | 0.087 | 0.022 | 97 | Yes | 7 |
Hydrophobicity | 7.469 | 0.018 | 0.018 | 32 | No | N/A |
2B Folding Validation | ||||||
Feature | Mean Rank |
Mean Rank SE |
Average ΔR2 |
Number of Models (/100) |
In Full Model |
Full Model Rank |
Hydrophobicity | 1.212 | 0.062 | 0.15 | 99 | Yes | 1 |
Charge | 3.083 | 0.122 | 0.082 | 96 | Yes | 3 |
SecondaryStructure | 3.213 | 0.164 | 0.0810 | 47 | Yes | N/A |
Sizenet | 3.22 | 0.127 | 0.074 | 100 | Yes | 2 |
Separation | 3.98 | 0.126 | 0.058 | 100 | Yes | 4 |
SASA | 4.897 | 0.092 | 0.041 | 97 | Yes | 5 |
Number Residues | 5.269 | 0.113 | 0.0380 | 26 | No | N/A |