findMaxValue

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function [value,organism,parameter] = findMaxValue(EC_cell,BRENDA, SA_cell)

 Function that gets the maximum kinetic parameter (Kcat or S.A.*Mw) from 
 the BRENDA files for the specified set of EC numbers. The algorithm also 
 returns the organism and the parameter type (Kcat or S.A.) of the query.

 Ivan Domenzain    Last edited. 2018-02-06
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Looks for the maximum turnover number available for the EC# associated
with the uniprot code

0001 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
0002 %function [value,organism,parameter] = findMaxValue(EC_cell,BRENDA, SA_cell)
0003 %
0004 % Function that gets the maximum kinetic parameter (Kcat or S.A.*Mw) from
0005 % the BRENDA files for the specified set of EC numbers. The algorithm also
0006 % returns the organism and the parameter type (Kcat or S.A.) of the query.
0007 %
0008 % Ivan Domenzain    Last edited. 2018-02-06
0009 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
0010 function [value,organism,parameter] = findMaxValue(EC_cell,BRENDA,SA_cell)
0011     %Looks for the maximum turnover number available for the EC# associated
0012     %with the uniprot code
0013     EC_cell    = strsplit(EC_cell,' ');
0014     value      = [];
0015     organism   = [];
0016     parameter  = [];
0017     for i=1:length(EC_cell)
0018         find_flag  = false;
0019         %In case that wild cards are present in the EC number the search on
0020         %the BRENDA file will be relaxed.
0021         if ~isempty(strfind(EC_cell{i},'-'))
0022              EC_cell{i} = EC_cell{i}(strfind(EC_cell{i},'-')-1:end);
0023              find_flag  = true;
0024         end    
0025         ECnumber = ['EC' EC_cell{i}];
0026         Kcat     = 0; orgK = '';
0027         if find_flag == true
0028             matching = find(~cellfun(@isempty,strfind(BRENDA{1},ECnumber)));
0029         else
0030             % If no wild cards are present the EC number search in the
0031             % BRENDA file will look for an exact match
0032             matching = find(strcmpi(ECnumber,BRENDA{1}));
0033         end
0034         %Gets the maximum Kcat value for the queried EC#
0035         if ~isempty(matching)
0036             [Kcat, maxIndx] = max(BRENDA{4}(matching));
0037             orgK            = BRENDA{3}(matching(maxIndx));
0038         end        
0039         % Looks for the maximum SA*Mw value available for the EC number
0040         SA_Mw = 0; orgS = '';
0041         if find_flag == true
0042             matching = find(~cellfun(@isempty,strfind(SA_cell{1},ECnumber)));
0043         else
0044             matching = find(strcmpi(ECnumber,SA_cell{1}));
0045         end
0046         %Gets the maximum SA*Mw value for the queried EC#
0047         if ~isempty(matching)
0048             [SA_Mw, maxIndx] = max(SA_cell{3}(matching));
0049             SA_Mw            = SA_Mw; %[1/hr]
0050             orgS             = SA_cell{2}(matching(maxIndx));
0051         end        
0052         %Choose the maximal available value as a turnover number for the EC
0053         value  = [value; max(Kcat,SA_Mw)]; 
0054 
0055         if Kcat>SA_Mw
0056             organism  = [organism; {orgK}];
0057             parameter = [parameter; {'K_cat'}];
0058         else
0059             organism  = [organism; {orgS}];
0060             parameter = [parameter; {'SA*Mw'}];
0061         end   
0062     end
0063     [value, maxIndx] = max(value);
0064     organism         = organism(maxIndx);
0065     parameter        = parameter(maxIndx);
0066 end
0067 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%