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Copy pathGetSequenceHydropathy.m
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33 lines (29 loc) · 1.55 KB
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function [] = GetSequenceHydropathy(pdb_ca_file, featurefile)
% Based on the Kyte and Doolittle scale of amino acid Hydrophobicity,
% parse through the sequence of the given PDB C-alpha file assigning the
% hydrophobic values and writing into the corresponding feature file.
KD_scale = struct('ILE', 4.5, 'VAL', 4.2, 'LEU', 3.8, 'PHE', 2.8, 'CYS', 2.5, 'MET', 1.9, 'ALA', 1.8, 'GLY', -0.4, 'THR', -0.7, 'TRP', -0.9, 'SER', -0.8, 'TYR', -1.3, 'PRO', -1.6, 'HIS', -3.2, 'GLU', -3.5, 'GLN', -3.5, 'ASP', -3.5, 'ASN', -3.5, 'LYS', -3.9, 'ARG', -4.5);
P = readPDB(pdb_ca_file,1);
resnames = P.resName;
H_index = [];
for j=1:length(resnames)
H_index = [H_index;KD_scale.(resnames{j})];
end
csvwrite(featurefile, H_index');
end
%%% LGPL
% This file is part of AR-PRED: Active and Regulatory site Prediction
%
% AR-PRED is a free software. You can redistribute it and/or modify
% it under the terms of the GNU Lesser General Public License as published by
% the Free Software Foundation, either version 3 of the License, or
% (at your option) any later version.
%
% AR-PRED is distributed in the hope that it will be useful,
% but WITHOUT ANY WARRANTY; without even the implied warranty of
% MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
% GNU Lesser General Public License for more details.
%
% You should have received a copy of the GNU General Public License
% and the GNU Lesser General Public License along with the AR-PRED source code.
% If not, see <http://www.gnu.org/licenses/>.