Member Site Forums Rosetta 3 Rosetta 3 – General how to use rosettadesign to do mutations on protein structure Reply To: how to use rosettadesign to do mutations on protein structure

#4562
bpierce
Participant

    Actually, if you only want to make a double mutant, this is what you want in your resfile:

    NATAA

    start

    24 A PIKAA M

    43 B PIKAA V

    The default NATAA will allow non-mutated residues to repack around your mutations, whereas the default ALLAA would have caused all residues everywhere to be designed, resulting in many mutations (not just the 2 you want).

    Also, are you working on a dimer? If not, you probably don’t want 2 different chain IDs (A & B) in your resfile. If it’s a dimer and the mutations are on different subunits, you are fine. Also, just a little tip. You might want to specify NATRO as the default, and then use NATAA only for specific residues near your mutations (I get better results that way).

    V.
    > Dear all:
    >
    > I am learning to use rosettadesign to do mutations on protein structure. I do not know how to prepare the resfile. In my protein, I only need to do two mutations, for examle, V42M and M24V. In such kind of case , how the resfile looks like?
    >
    > I prepared one like following:
    >
    > ALLAA
    > start
    > 24 A NOTAA V
    > 42 B NOTAA M
    >
    > could that make sense? Thanks a lot.
    >
    >