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Add the pKa and hydrophobicity index to aminoacid_properties #65

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aukeheerdink opened this issue Feb 11, 2025 · 0 comments · May be fixed by #66
Open

Add the pKa and hydrophobicity index to aminoacid_properties #65

aukeheerdink opened this issue Feb 11, 2025 · 0 comments · May be fixed by #66

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@aukeheerdink
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For a project of mine I need the pKa and hydrophobicity index of individual amino acids. There are a bunch of different sources for these values and for as far as I know there aren't universally accepted values and everyone just uses whatever. So therefore we would need to add a kind of library of "all" of them in order for it to be useful. For future reference:

pKa sources
There is a nice summary by Gerald R. Grimsley, J. Martin Scholtz, C. Nick Pace and the following list is from Lukasz P. Kozlowski
  1. EMBOSS
  2. DTASelect
  3. Solomons
  4. Sillero
  5. Rodwell
  6. Patrickios
  7. Lehninger
  8. Toseland
  9. Thurlkill
  10. Nozaki
  11. Dawson
  12. Bjellqvist
  13. ProMoST
  14. IPC_protein/IPC_peptide
Hydrophobicity sources
The following list is from Expasy
  1. J. Mol. Biol. 171:479-488(1983).
  2. Proteins: Structure, Function and Genetics 2:130-152(1987).
  3. Biophys J. 47:61-70(1985).
  4. J. Mol. Biol. 200:513-522(1988).
  5. Biochem. J. 199:31-41(1981).
  6. J. Mol. Biol. 179:125-142(1984).
  7. Int. J. Biochem. 2:537-544(1971).
  8. Peptide Research 3:75-80(1990).
  9. Nature 275:673-674(1978).
  10. Biochemistry 20:849-855(1981).
  11. J. Mol. Biol. 105:1-14(1976).
  12. Macromolecules 18:534-552(1985).
  13. Proc. Natl. Acad. Sci. U.S.A. 78:3824-3828(1981).
  14. Anal. Biochem. 193:72-82(1991).
  15. Nature 277:491-492(1979).
  16. J. Mol. Biol. 157:105-132(1982).
  17. Arch. Biochem. Biophys. 161:665-670(1974).
  18. J. Am. Chem. Soc. 84:4240-4274(1962).
  19. Biochemistry 25:5425-5431(1986).
@aukeheerdink aukeheerdink linked a pull request Feb 11, 2025 that will close this issue
@douweschulte douweschulte linked a pull request Feb 11, 2025 that will close this issue
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