Mercurial > repos > peterjc > tmhmm_and_signalp

annotate tools/protein_analysis/signalp3.xml @ 22:e1afa4b0b682 draft

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"This is v0.2.12 with black formating and Python 3 next fix etc"
author peterjc
date Thu, 17 Jun 2021 08:34:58 +0000
parents 238eae32483c
children e1996f0f4e85
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1 <tool id="signalp3" name="SignalP 3.0" version="0.0.19">
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2 <description>Find signal peptides in protein sequences</description>
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3 <!-- If job splitting is enabled, break up the query file into parts -->
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4 <!-- Using 2000 chunks meaning 4 threads doing 500 each is ideal -->
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5 <parallelism method="basic" split_inputs="fasta_file" split_mode="to_size" split_size="2000" merge_outputs="tabular_file"></parallelism>
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6 <requirements>
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7 <requirement type="package">signalp</requirement>
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8 </requirements>
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9 <version_command>
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10 python $__tool_directory__/signalp3.py --version
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11 </version_command>
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12 <command detect_errors="aggressive">
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13 python $__tool_directory__/signalp3.py $organism $truncate "\$GALAXY_SLOTS" '$fasta_file' '$tabular_file'
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14 </command>
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15 <inputs>
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16 <param name="fasta_file" type="data" format="fasta" label="FASTA file of protein sequences"/>
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17 <param name="organism" type="select" display="radio" label="Organism">
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18 <option value="euk">Eukaryote</option>
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19 <option value="gram+">Gram positive</option>
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20 <option value="gram-">Gram negative</option>
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21 </param>
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22 <param name="truncate" type="integer" label="Truncate sequences to this many amino acids" value="70" help="Use zero for no truncation, maximum value 6000">
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23 <validator type="in_range" min="0" max="6000" message="Truncation value should be at most 6000. Use zero for no truncation."/>
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24 </param>
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25 </inputs>
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26 <outputs>
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27 <data name="tabular_file" format="tabular" label="SignalP $organism results" />
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28 </outputs>
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29 <tests>
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30 <test>
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31 <param name="fasta_file" value="four_human_proteins.fasta" ftype="fasta"/>
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32 <param name="organism" value="euk"/>
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33 <param name="truncate" value="0"/>
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34 <output name="tabular_file" file="four_human_proteins.signalp3.tabular" ftype="tabular"/>
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35 </test>
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36 <test>
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37 <param name="fasta_file" value="empty.fasta" ftype="fasta"/>
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38 <param name="organism" value="euk"/>
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39 <param name="truncate" value="60"/>
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40 <output name="tabular_file" file="empty_signalp3.tabular" ftype="tabular"/>
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41 </test>
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42 <test>
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43 <param name="fasta_file" value="empty.fasta" ftype="fasta"/>
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44 <param name="organism" value="gram+"/>
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45 <param name="truncate" value="80"/>
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46 <output name="tabular_file" file="empty_signalp3.tabular" ftype="tabular"/>
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47 </test>
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48 <test>
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49 <param name="fasta_file" value="empty.fasta" ftype="fasta"/>
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50 <param name="organism" value="gram-"/>
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51 <param name="truncate" value="0"/>
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52 <output name="tabular_file" file="empty_signalp3.tabular" ftype="tabular"/>
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53 </test>
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54 <test>
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55 <param name="fasta_file" value="rxlr_win_et_al_2007.fasta" ftype="fasta"/>
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56 <param name="organism" value="euk"/>
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57 <param name="truncate" value="70"/>
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58 <output name="tabular_file" file="rxlr_win_et_al_2007_sp3.tabular" ftype="tabular"/>
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59 </test>
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60 </tests>
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61 <help>
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62
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63 **What it does**
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64
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65 This calls the SignalP v3.0 tool for prediction of signal peptides, which uses both a Neural Network (NN) and Hidden Markov Model (HMM) to produce two sets of scores.
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66
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67 The input is a FASTA file of protein sequences, and the output is tabular with twenty columns (one row per protein):
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68
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69 ====== =================================================
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70 Column Description
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71 ------ -------------------------------------------------
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72 1 Sequence identifier
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73 2-14 Neural Network (NN) predictions (13 columns)
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74 15-20 Hidden Markov Model (HMM) predictions (6 columns)
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75 ====== =================================================
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76
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77 Internally the input FASTA file is divided into parts (to allow multiple processors to be used), and the proteins truncated as specified (see below). The raw output from SignalP is then reformatted into a tabular layout suitable for Galaxy (see below).
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78
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79 **Neural Network Scores**
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80
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81 For each organism class (Eukaryote, Gram-negative and Gram-positive), two different neural networks are used, one for predicting the actual signal peptide and one for predicting the position of the signal peptidase I (SPase I) cleavage site.
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82
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83 The NN output comprises three different scores (C-max, S-max and Y-max) and two scores derived from them (S-mean and D-score).
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84
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85 ====== ======= ===============================================================
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86 Column Name Description
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87 ------ ------- ---------------------------------------------------------------
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88 2-4 C-score The C-score is the 'cleavage site' score. For each position in
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89 the submitted sequence, a C-score is reported, which should
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90 only be significantly high at the cleavage site. Confusion is
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91 often seen with the position numbering of the cleavage site.
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92 When a cleavage site position is referred to by a single number,
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93 the number indicates the first residue in the mature protein,
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94 meaning, that a predicted cleavage site between amino acid 26-27
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95 is reported as 27, corresponding to the mature protein starting
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96 at (and including) position 27.
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97 ------ ------- ---------------------------------------------------------------
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98 5-7 S-score The S-score for the signal peptide prediction is calculated for
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99 every single amino acid position in the submitted sequence (not
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100 shown in the output via Galaxy), with high scores indicating
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101 that the corresponding amino acid is part of a signal peptide,
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102 and low scores indicating that the amino acid is part of a
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103 mature protein.
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104 ------ ------- ---------------------------------------------------------------
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105 8-10 Y-max Y-max is a derivative of the C-score combined with the S-score
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106 resulting in a better cleavage site prediction than the raw
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107 C-score alone. This is due to the fact that multiple high-peaking
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108 C-scores can be found in one sequence, where only one is the
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109 true cleavage site. The cleavage site is assigned from the
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110 Y-score where the slope of the S-score is steep and a
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111 significant C-score is found.
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112 ------ ------- ---------------------------------------------------------------
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113 11-12 S-mean The S-mean is the average of the S-score, ranging from the
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114 N-terminal amino acid to the amino acid assigned with the
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115 highest Y-max score, thus the S-mean score is calculated for
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116 the length of the predicted signal peptide. The S-mean score
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117 was in SignalP version 2.0 used as the criteria for
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118 discrimination of secretory and non-secretory proteins.
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119 ------ ------- ---------------------------------------------------------------
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120 13-14 D-score The D-score was introduced in SignalP version 3.0 and is a
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121 simple average of the S-mean and Y-max score. The score shows
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122 superior discrimination performance of secretory and
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123 non-secretory proteins to that of the S-mean score which was
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124 used in SignalP version 1 and 2.
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125 ====== ======= ===============================================================
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126
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127 For non-secretory proteins all the scores represented in the SignalP3-NN output should ideally be very low.
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128
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129 **Hidden Markov Model Scores**
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130
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131 The hidden Markov model calculates the probability of whether the submitted sequence contains a signal peptide or not. The eukaryotic HMM model also reports the probability of a signal anchor, previously named uncleaved signal peptides. Furthermore, the cleavage site is assigned by a probability score together with scores for the n-region, h-region, and c-region of the signal peptide, if such one is found.
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132
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133 The 'type' column uses 'S' for a signal peptide (i.e. secretory protein) and 'Q' for non-secretory protein.
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134
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135 **Notes**
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136
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137 The raw output 'short' output from TMHMM v2.0 looks something like this (21 columns space separated - shown here formatted nicely). Notice that the identifiers are given twice, the first time truncated (as part of the NN predictions) and the second time in full (in the HMM predictions).
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138
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139 ==================== ===== === = ===== === = ===== === = ===== = ===== = =================================== = ===== === = ===== =
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140 # SignalP-NN euk predictions # SignalP-HMM euk predictions
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141 ----------------------------------------------------------------------------- ------------------------------------------------------------
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142 # name Cmax pos ? Ymax pos ? Smax pos ? Smean ? D ? # name ! Cmax pos ? Sprob ?
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143 gi|2781234|pdb|1JLY| 0.061 17 N 0.043 17 N 0.199 1 N 0.067 N 0.055 N gi|2781234|pdb|1JLY|B Q 0.000 17 N 0.000 N
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144 gi|4959044|gb|AAD342 0.099 191 N 0.012 38 N 0.023 12 N 0.014 N 0.013 N gi|4959044|gb|AAD34209.1|AF069992_1 Q 0.000 0 N 0.000 N
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145 gi|671626|emb|CAA856 0.139 381 N 0.020 8 N 0.121 4 N 0.067 N 0.044 N gi|671626|emb|CAA85685.1| Q 0.000 0 N 0.000 N
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146 gi|3298468|dbj|BAA31 0.208 24 N 0.184 38 N 0.980 32 Y 0.613 Y 0.398 N gi|3298468|dbj|BAA31520.1| Q 0.066 24 N 0.139 N
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147 ==================== ===== === = ===== === = ===== === = ===== = ===== = =================================== = ===== === = ===== =
0
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148
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149 In order to make this easier to use in Galaxy, the wrapper script simplifies this to remove the redundant column and use tabs for separation. It also includes a header line with unique column names.
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150
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151 =================================== ============= =========== ============ ============= =========== ============ ============= =========== ============ ============== ============= ========== ========= ======== ============== ============ ============= =============== ==============
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152 #ID NN_Cmax_score NN_Cmax_pos NN_Cmax_pred NN_Ymax_score NN_Ymax_pos NN_Ymax_pred NN_Smax_score NN_Smax_pos NN_Smax_pred NN_Smean_score NN_Smean_pred NN_D_score NN_D_pred HMM_type HMM_Cmax_score HMM_Cmax_pos HMM_Cmax_pred HMM_Sprob_score HMM_Sprob_pred
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153 gi|2781234|pdb|1JLY|B 0.061 17 N 0.043 17 N 0.199 1 N 0.067 N 0.055 N Q 0.000 17 N 0.000 N
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154 gi|4959044|gb|AAD34209.1|AF069992_1 0.099 191 N 0.012 38 N 0.023 12 N 0.014 N 0.013 N Q 0.000 0 N 0.000 N
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155 gi|671626|emb|CAA85685.1| 0.139 381 N 0.020 8 N 0.121 4 N 0.067 N 0.044 N Q 0.000 0 N 0.000 N
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156 gi|3298468|dbj|BAA31520.1| 0.208 24 N 0.184 38 N 0.980 32 Y 0.613 Y 0.398 N Q 0.066 24 N 0.139 N
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157 =================================== ============= =========== ============ ============= =========== ============ ============= =========== ============ ============== ============= ========== ========= ======== ============== ============ ============= =============== ==============
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158
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159 **Truncation**
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160
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161 Signal peptides are found at the start of a protein, so there is limited value in providing the full length sequence, and providing the full sequence slows down the analysis. Furthermore, SignalP has an upper bound on the sequence length it will accept (6000bp). Thus for practical reasons it is useful to truncate the proteins before passing them to SignalP. However, the precise point they are truncated does have a small influence on some score values, and thus to the results.
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162
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163 **References**
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164
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165 If you use this Galaxy tool in work leading to a scientific publication please
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166 cite the following papers:
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167
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168 Peter J.A. Cock, Björn A. Grüning, Konrad Paszkiewicz and Leighton Pritchard (2013).
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169 Galaxy tools and workflows for sequence analysis with applications
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170 in molecular plant pathology. PeerJ 1:e167
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171 https://doi.org/10.7717/peerj.167
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172
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173 Bendtsen, Nielsen, von Heijne, and Brunak (2004).
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174 Improved prediction of signal peptides: SignalP 3.0.
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175 J. Mol. Biol., 340:783-795.
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176 https://doi.org/10.1016/j.jmb.2004.05.028
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177
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178 Nielsen, Engelbrecht, Brunak and von Heijne (1997).
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179 Identification of prokaryotic and eukaryotic signal peptides and prediction of their cleavage sites.
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180 Protein Engineering, 10:1-6.
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181 https://doi.org/10.1093/protein/10.1.1
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182
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183 Nielsen and Krogh (1998).
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184 Prediction of signal peptides and signal anchors by a hidden Markov model.
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185 Proceedings of the Sixth International Conference on Intelligent Systems for Molecular Biology (ISMB 6),
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186 AAAI Press, Menlo Park, California, pp. 122-130.
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187 http://www.ncbi.nlm.nih.gov/pubmed/9783217
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188
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189 See also http://www.cbs.dtu.dk/services/SignalP-3.0/output.php
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190
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191 This wrapper is available to install into other Galaxy Instances via the Galaxy
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192 Tool Shed at http://toolshed.g2.bx.psu.edu/view/peterjc/tmhmm_and_signalp
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193 </help>
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194 <citations>
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195 <citation type="doi">10.7717/peerj.167</citation>
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196 <citation type="doi">10.1016/j.jmb.2004.05.028</citation>
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197 <citation type="doi">10.1093/protein/10.1.1</citation>
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198 <!-- TODO - Add bibtex entry for PMID: 9783217 -->
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199 </citations>
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200 </tool>