I've been running COACH-D to predict possible cofactors/ligands on a protein of interest and looking at some of the downloaded files I have a few questions about the data they contain, esp. about "predicted_bsr.txt". In many cases I can extrapolate some of the details but in others it's hard to know for sure what those numbers are.
For example, this is the first site in my "predicted_bsr.txt":
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SITE 1 0.29 18
TMS 1gteA BS06_FAD 56.168 -22.856 -33.599 0.69 :396,398,450,452,453,454,473,474,475,480,481,485,486,490,514,515,516,536,537,538,540,562,584,585,588,752,753,759,760,761,764
FAD(16),1GT8A01(1),2VDCG00(1)
- What's the "BS06_FAD", certainly it refers to FAD as ligand but what else?
- "56.168 -22.856 -33.599": I'm guessing they are the coordinates in ref to the pdb file?
- What is the "0.69" before the list of the binding residues?
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SITE 8 0.01 1
CON NTAPP NTAPP 49.922 -9.355 -20.073 0.23 :294,360,769