Bio/Tools/Protparam.pm

   1 #
   2 # BioPerl module for Bio::Tools::Protparam
   3 #
   4 # Please direct questions and support issues to <bioperl-l@bioperl.org>
   5 #
   6 # Cared for by Richard Dobson, r.j.dobson at qmul dot ac dot uk
   7 #
   8 # Copyright Richard Dobson
   9 #
  10 # You may distribute this module under the same terms as perl itself
  11
  12 # POD documentation - main docs before the code
  13
  14 =head1 NAME
  15
  16 Bio::Tools::Protparam - submit to and parse output from protparam ;
  17
  18 =head1 SYNOPSIS
  19
  20   use Bio::DB::GenBank;
  21   use Bio::Tools::Protparam;
  22
  23   my $gb = new Bio::DB::GenBank(-retrievaltype => 'tempfile' ,
  24                                 -format => 'Fasta');
  25   my @ids=qw(O14521 O43709 O43826);
  26   my $seqio = $gb->get_Stream_by_acc(\@ids );
  27
  28   while( my $seq =  $seqio->next_seq ) {
  29
  30         my $pp = Bio::Tools::Protparam->new(seq=>$seq->seq);
  31
  32         print
  33         "ID : ", $seq->display_id,"\n",
  34         "Amino acid number : ",$pp->amino_acid_number(),"\n",
  35         "Number of negative amino acids : ",$pp->num_neg(),"\n",
  36         "Number of positive amino acids : ",$pp->num_pos(),"\n",
  37         "Molecular weight : ",$pp->molecular_weight(),"\n",
  38         "Theoretical pI : ",$pp->theoretical_pI(),"\n",
  39         "Total number of atoms : ", $pp->total_atoms(),"\n",
  40         "Number of carbon atoms : ",$pp->num_carbon(),"\n",
  41         "Number of hydrogen atoms : ",$pp->num_hydrogen(),"\n",
  42         "Number of nitrogen atoms : ",$pp->num_nitro(),"\n",
  43         "Number of oxygen atoms : ",$pp->num_oxygen(),"\n",
  44         "Number of sulphur atoms : ",$pp->num_sulphur(),"\n",
  45         "Half life : ", $pp->half_life(),"\n",
  46         "Instability Index : ", $pp->instability_index(),"\n",
  47         "Stability class : ", $pp->stability(),"\n",
  48         "Aliphatic_index : ",$pp->aliphatic_index(),"\n",
  49         "Gravy : ", $pp->gravy(),"\n",
  50         "Composition of A : ", $pp->AA_comp('A'),"\n",
  51         "Composition of R : ", $pp->AA_comp('R'),"\n",
  52         "Composition of N : ", $pp->AA_comp('N'),"\n",
  53         "Composition of D : ", $pp->AA_comp('D'),"\n",
  54         "Composition of C : ", $pp->AA_comp('C'),"\n",
  55         "Composition of Q : ", $pp->AA_comp('Q'),"\n",
  56         "Composition of E : ", $pp->AA_comp('E'),"\n",
  57         "Composition of G : ", $pp->AA_comp('G'),"\n",
  58         "Composition of H : ", $pp->AA_comp('H'),"\n",
  59         "Composition of I : ", $pp->AA_comp('I'),"\n",
  60         "Composition of L : ", $pp->AA_comp('L'),"\n",
  61         "Composition of K : ", $pp->AA_comp('K'),"\n",
  62         "Composition of M : ", $pp->AA_comp('M'),"\n",
  63         "Composition of F : ", $pp->AA_comp('F'),"\n",
  64         "Composition of P : ", $pp->AA_comp('P'),"\n",
  65         "Composition of S : ", $pp->AA_comp('S'),"\n",
  66         "Composition of T : ", $pp->AA_comp('T'),"\n",
  67         "Composition of W : ", $pp->AA_comp('W'),"\n",
  68         "Composition of Y : ", $pp->AA_comp('Y'),"\n",
  69         "Composition of V : ", $pp->AA_comp('V'),"\n",
  70         "Composition of B : ", $pp->AA_comp('B'),"\n",
  71         "Composition of Z : ", $pp->AA_comp('Z'),"\n",
  72         "Composition of X : ", $pp->AA_comp('X'),"\n";
  73 }
  74
  75 =head1 DESCRIPTION
  76
  77 This module takes an amino acid sequence and submits it to the
  78 Protparam program at www.expasy.org/cgi-bin/protparam.  Many
  79 properties of the submitted sequence are returned.
  80
  81 =head1 AUTHOR
  82
  83 Richard Dobson, r.j.dobson at qmul dot ac dot uk
  84
  85 =cut
  86
  87 # Let the code begin...
  88
  89 package Bio::Tools::Protparam;
  90
  91 use strict;
  92 use base qw(Bio::Root::Root);
  93 use LWP 5.64;
  94
  95 =head2 new
  96
  97   Title    : new
  98   Usage    : $pp = Protparam->new(seq=>$seq->seq);
  99   Function : Creates a new Protparam object
 100   Returns  : A Protparam object
 101   Args     : A sequence
 102
 103 =cut
 104
 105 sub new {
 106         my ($class,@args) = @_;
 107         @args=('-url'=>'http://web.expasy.org/cgi-bin/protparam/protparam','-form'=>'sequence',@args);
 108         my $self=$class->SUPER::new(@args);
 109
 110         my ($url,$seq,$form)=$self->_rearrange([qw(URL SEQ FORM)],@args);
 111
 112         my $browser = LWP::UserAgent->new;
 113         my $response;
 114
 115         #send request to PROTPARAM @ Expasy
 116         $response = $browser->post($url,
 117                            [
 118                             $form => $seq
 119                            ],
 120                            'User-Agent' => 'Mozilla/4.76 [en] (Win2000; U)',
 121                           );
 122
 123         #Check if successful
 124         $self->throw("$url error: ".$response->status_line) unless $response->is_success;
 125         $self->throw("Bad content type at $url ".$response->content_type) unless $response->content_type eq 'text/html';
 126
 127         my $protParamOutput=$response->decoded_content;
 128
 129         $self->{'output'}=$protParamOutput;
 130
 131         return bless $self,$class;
 132
 133 }
 134
 135 =head2 num_neg
 136
 137   Title    : num_neg
 138   Usage    : $pp->num_neg()
 139   Function : Retrieves the number of negative amino acids in a sequence
 140   Returns  : Returns the number of negative amino acids in a sequence
 141   Args     : none
 142
 143 =cut
 144
 145
 146
 147 sub num_neg{
 148
 149         my $self=shift;
 150
 151         ($self->{'negAA'})=$self->{'output'}=~/<B>Total number of negatively charged residues.*?<\/B>\s*(\d*)/;
 152
 153         return $self->{'negAA'};
 154
 155
 156 }
 157
 158 =head2 num_pos
 159
 160   Title    : num_pos
 161   Usage    : $pp->num_pos()
 162   Function : Retrieves the number of positive amino acids in a sequence
 163   Returns  : Returns the number of positive amino acids in a sequence
 164   Args     : none
 165
 166 =cut
 167
 168
 169 sub num_pos{
 170         my $self=shift;
 171         ($self->{'posAA'})=$self->{'output'}=~/<B>Total number of positively charged residues.*?<\/B>\s*(\d*)/;
 172         return $self->{'posAA'};
 173 }
 174
 175 =head2 amino_acid_number
 176
 177   Title    : amino_acid_number
 178   Usage    : $pp->amino_acid_number()
 179   Function : Retrieves the number of amino acids within a sequence
 180   Returns  : Returns the number of amino acids within a sequence
 181   Args     : none
 182
 183 =cut
 184
 185 sub amino_acid_number{
 186         my $self=shift;
 187         ($self->{'numAA'})=$self->{'output'}=~/<B>Number of amino acids:<\/B> (\d+)/;
 188         return $self->{'numAA'};
 189 }
 190
 191 =head2 total_atoms
 192
 193   Title    : total_atoms
 194   Usage    : $pp->total_atoms()
 195   Function : Retrieves the total number of atoms within a sequence
 196   Returns  : Returns the total number of atoms within a sequence
 197   Args     : none
 198
 199 =cut
 200
 201
 202 sub total_atoms{
 203         my $self=shift;
 204         $self->{'total_atoms'}=$self->{'output'}=~/<B>Total number of atoms:<\/B>\s*(\d*)/;
 205         return $self->{'total_atoms'};
 206 }
 207
 208 =head2 molecular_weight
 209
 210   Title    : molecular_weight
 211   Usage    : $pp->molecular_weight()
 212   Function : Retrieves the molecular weight of a sequence
 213   Returns  : Returns the molecular weight of a sequence
 214   Args     : none
 215
 216 =cut
 217
 218
 219 sub molecular_weight{
 220         my $self=shift;
 221         ($self->{'MolWt'})=$self->{'output'}=~/<B>Molecular weight:<\/B> (\d*\.{0,1}\d*)/;
 222         return $self->{'MolWt'};
 223
 224 }
 225
 226 =head2 theoretical_pI
 227
 228   Title    : theoretical_pI
 229   Usage    : $pp->theoretical_pI()
 230   Function : Retrieve the theoretical pI for a sequence
 231   Returns  : Return the theoretical pI for a sequence
 232   Args     : none
 233
 234 =cut
 235
 236
 237 sub theoretical_pI{
 238         my $self=shift;
 239         ($self->{'TpI'})=$self->{'output'}=~/<B>Theoretical pI:<\/B> (-{0,1}\d*\.{0,1}\d*)/;
 240         return $self->{'TpI'};
 241 }
 242
 243 =head2 num_carbon
 244
 245   Title    : num_carbon
 246   Usage    : $pp->num_carbon()
 247   Function : Retrieves the number of carbon atoms in a sequence
 248   Returns  : Returns the number of carbon atoms in a sequence
 249   Args     : none
 250
 251 =cut
 252
 253
 254 sub num_carbon{
 255         my $self=shift;
 256         ($self->{'car'}) = $self->{'output'}=~/Carbon\s+C\s+(\d+)/;
 257         return $self->{'car'};
 258 }
 259
 260 =head2 num_hydrogen
 261
 262   Title    : num_hydrogen
 263   Usage    : $pp->num_hydrogen
 264   Function : Retrieves the number of hydrogen atoms in a sequence
 265   Returns  : Returns the number of hydrogen atoms in a sequence
 266   Args     : none
 267
 268 =cut
 269
 270
 271 sub num_hydrogen{
 272         my $self=shift;
 273         ($self->{'hyd'}) = $self->{'output'}=~/Hydrogen\s+H\s+(\d+)/;
 274         return $self->{'hyd'}
 275 }
 276
 277 =head2 num_nitro
 278
 279   Title    : num_nitro
 280   Usage    : $pp->num_nitro
 281   Function : Retrieves the number of nitrogen atoms in a sequence
 282   Returns  : Returns the number of nitrogen atoms in a sequence
 283   Args     : none
 284
 285 =cut
 286
 287
 288 sub num_nitro{
 289         my $self=shift;
 290         ($self->{'nitro'}) = $self->{'output'}=~/Nitrogen\s+N\s+(\d+)/;
 291         return $self->{'nitro'};
 292 }
 293
 294 =head2 num_oxygen
 295
 296   Title    : num_oxygen
 297   Usage    : $pp->num_oxygen()
 298   Function : Retrieves the number of oxygen atoms in a sequence
 299   Returns  : Returns the number of oxygen atoms in a sequence
 300   Args     : none
 301
 302 =cut
 303
 304
 305 sub num_oxygen{
 306         my $self=shift;
 307         ($self->{'oxy'}) = $self->{'output'}=~/Oxygen\s+O\s+(\d+)/;
 308         return $self->{'oxy'};
 309 }
 310
 311 =head2 num_sulphur
 312
 313   Title    : num_sulphur
 314   Usage    : $pp->num_sulphur()
 315   Function : Retrieves the number of sulphur atoms in a sequence
 316   Returns  : Returns the number of sulphur atoms in a sequence
 317   Args     : none
 318
 319 =cut
 320
 321
 322 sub num_sulphur{
 323         my $self=shift;
 324         ($self->{'sul'}) = $self->{'output'}=~/Sulfur\s+S\s+(\d+)/;
 325         return $self->{'sul'};
 326 }
 327
 328 =head2 half_life
 329
 330   Title    : half_life
 331   Usage    : $pp->half_life()
 332   Function : Retrieves the half life of a sequence
 333   Returns  : Returns the half life of a sequence
 334   Args     : none
 335
 336 =cut
 337
 338
 339 sub half_life{
 340         my $self=shift;
 341         ($self->{'half_life'}) = $self->{'output'}=~/The estimated half-life is.*?(-{0,1}\d*\.{0,1}\d*)\s*hours \(mammalian reticulocytes, in vitro\)/;
 342         return $self->{'half_life'};
 343 }
 344
 345 =head2 instability_index
 346
 347   Title    : instability_index
 348   Usage    : $pp->instability_index()
 349   Function : Retrieves the instability index of a sequence
 350   Returns  : Returns the instability index of a sequence
 351   Args     : none
 352
 353 =cut
 354
 355
 356 sub instability_index{
 357         my $self=shift;
 358         ($self->{'InstabilityIndex'})=$self->{'output'}=~/The instability index \(II\) is computed to be (-{0,1}\d*\.{0,1}\d*)/;
 359         return $self->{'InstabilityIndex'};
 360 }
 361
 362 =head2 stability
 363
 364   Title    : stability
 365   Usage    : $pp->stability()
 366   Function : Calculates whether the sequence is stable or unstable
 367   Returns  : 'stable' or 'unstable'
 368   Args     : none
 369
 370 =cut
 371
 372
 373 sub stability{
 374         my $self=shift;
 375         ($self->{'Stability'})=$self->{'output'}=~/This classifies the protein as\s(\w+)\./;
 376         return $self->{'Stability'};
 377 }
 378
 379 =head2 aliphatic_index
 380
 381   Title    : aliphatic_index
 382   Usage    : $pp->aliphatic_index()
 383   Function : Retrieves the aliphatic index of the sequence
 384   Returns  : Returns the aliphatic index of the sequence
 385   Args     : none
 386
 387 =cut
 388
 389
 390 sub aliphatic_index{
 391         my $self=shift;
 392         ($self->{'AliphaticIndex'})=$self->{'output'}=~/<B>Aliphatic index:<\/B>\s*(-{0,1}\d*\.{0,1}\d*)/;
 393         return $self->{'AliphaticIndex'};
 394
 395 }
 396
 397 =head2 gravy
 398
 399   Title    : gravy
 400   Usage    : $pp->gravy()
 401   Function : Retrieves the grand average of hydropathicity (GRAVY) of a sequence
 402   Returns  : Returns the grand average of hydropathicity (GRAVY) of a sequence
 403   Args     : none
 404
 405 =cut
 406
 407
 408 sub gravy{
 409         my $self=shift;
 410         ($self->{'GRAVY'})=$self->{'output'}=~/<B>Grand average of hydropathicity \(GRAVY\):<\/B>\s*(-{0,1}\d*\.{0,1}\d*)/;
 411         return $self->{'GRAVY'};
 412 }
 413
 414 =head2 AA_comp
 415
 416   Title    : AA_comp
 417   Usage    : $pp->AA_comp('P')
 418   Function : Retrieves the percentage composition of a given amino acid for a sequence
 419   Returns  : Returns the percentage composition of a given amino acid for a sequence
 420   Args     : A single letter amino acid code eg A, R, G, P etc
 421
 422 =cut
 423
 424
 425 sub AA_comp{
 426         my $self=shift;
 427         my $aa=shift;
 428         $aa=uc($aa);
 429         my $AA={qw(A Ala R Arg N Asn D Asp C Cys Q Gln E Glu G Gly H His I Ile L Leu K Lys M Met F Phe P Pro S Ser T Thr W Trp Y Tyr V Val B Asx Z Glx X Xaa)};
 430         ($self->{$aa})= $self->{'output'}=~/$AA->{$aa} \($aa\)\s+\d+\s+(\d+\.\d+)%/;
 431         return $self->{$aa};
 432 }
 433
 434
 435 1;