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questions about COACH-D output

Posted: Fri Jul 09, 2021 1:25 am
by xvazquezc
Hi there,
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
  • 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?
I also have a few sites predicted by ConCavity but they show "NTAPP". What does it mean? e.g.:

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SITE 8	0.01	1
CON	NTAPP	NTAPP	49.922 -9.355 -20.073	0.23 :294,360,769
Thank you in advance