Scoring Function to Predict Solubility Mutagenesis
List of all mutations (ordered the same way as Table 1 in the
paper) - SolMut_Dataset.xls
Input files (with all 137 mutants) for use with the program: input_mutpdbs.txt input_listmuts.txt
Confusion matrices for all predictions.
Cross validation across sequentially diverse folds, and average
hydrophobicity calculations: SeqkfoldCV_AvgHydrophobicity.xls
Script files to draw triangles in VMD for 1VQB.pdb and 2ACY.pdb: 1vqb_9A_triangles.txt
(Load the PDB file into VMD, and then
play the corresponding script file.)
- Linux (compiled using gcc version 4.3.0 20080428 on Red Hat
- Mac (Mac OS X, version 10.5.6): Mac_OptWtSolMutate.exe
- The following files should be present in the same directory
as the executable for the program to run:
- 1540 x 27 table of 3-body log-likelihood values
- list of optimal weights (wi) to be used
with the scoring function (from the LP running on the entire
dataset of mutants) .
Each line has the index of a triplet type,
and the value. The index varies from 1 to 41580 (=1540 x
27), while the value lies between 0 and 2.
The weights of triplets not mentioned in
this file are taken as 1 (default value).
- instructions for running the programs.
- Files mentioned in Readme: list_solmut.txt and input_mutate.txt
- ResidueMap.txt -
maps of residues used in the scoring function.
Last modified: Wed Oct 6 14:09:40 PDT 2010