Table 2. Parameters chosen for each ProFunc method to classify hit “strength”.
Code | “Strong” Hits | “Moderate” Hits | “Weak” Hits | |
---|---|---|---|---|
Structure-based Methods | ||||
Secondary Structure Matching (SSM) | SSM | Zscore > 10 | Zscore 6–10 | Zscore <6 |
Templates (using internal scoring scheme) | ENZ, LIG, DNA, SIT | Confidence: “Certain” (E-value <1.00 x10−6) or “Probable” (E-value 1.00 x10−6 – 0.01) | Confidence: “Possible” (E-value 0.01 – 0.10) | Confidence: “Longshot” (E-value >0.10) |
ENZ = Enzyme active site templates (CSA)
DNA = DNA based automatically generated templates
LIG = Ligand based automatically generated templates
SIT = “Reverse” template