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charge |
Function
Protein charge plotDescription
charge reads a protein sequence and writes a file (or plots a graph) of the charges of the amino acids within a window of specified length as the window is moved along the sequence.Algorithm
charge uses the column "charge" from the datafile Eamino.dat. It gives the residues 'D' and 'E' a charge of -1, 'K' and 'R' a charge of +1, and the residue 'H' a charge of +0.5. Then it calculates the mean charge across -window (default is 5).Usage
Here is a sample session with charge
% charge tsw:hbb_human Protein charge plot Output file [hbb_human.charge]: |
Go to the input files for this example
Go to the output files for this example
Command line arguments
Standard (Mandatory) qualifiers (* if not always prompted):
[-seqall] seqall Sequence database USA
* -graph xygraph Graph type
* -outfile outfile Output file name
Additional (Optional) qualifiers:
-window integer Window
Advanced (Unprompted) qualifiers:
-aadata datafile Amino acid property data file name
-plot toggle Produce graphic
Associated qualifiers:
"-seqall" associated qualifiers
-sbegin1 integer Start of each sequence to be used
-send1 integer End of each sequence to be used
-sreverse1 boolean Reverse (if DNA)
-sask1 boolean Ask for begin/end/reverse
-snucleotide1 boolean Sequence is nucleotide
-sprotein1 boolean Sequence is protein
-slower1 boolean Make lower case
-supper1 boolean Make upper case
-sformat1 string Input sequence format
-sdbname1 string Database name
-sid1 string Entryname
-ufo1 string UFO features
-fformat1 string Features format
-fopenfile1 string Features file name
"-graph" associated qualifiers
-gprompt boolean Graph prompting
-gtitle string Graph title
-gsubtitle string Graph subtitle
-gxtitle string Graph x axis title
-gytitle string Graph y axis title
-goutfile string Output file for non interactive displays
-gdirectory string Output directory
"-outfile" associated qualifiers
-odirectory string Output directory
General qualifiers:
-auto boolean Turn off prompts
-stdout boolean Write standard output
-filter boolean Read standard input, write standard output
-options boolean Prompt for standard and additional values
-debug boolean Write debug output to program.dbg
-verbose boolean Report some/full command line options
-help boolean Report command line options. More
information on associated and general
qualifiers can be found with -help -verbose
-warning boolean Report warnings
-error boolean Report errors
-fatal boolean Report fatal errors
-die boolean Report deaths
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| Standard (Mandatory) qualifiers | Allowed values | Default | |
|---|---|---|---|
| [-seqall] (Parameter 1) |
Sequence database USA | Readable sequence(s) | Required |
| -graph | Graph type | EMBOSS has a list of known devices, including postscript, ps, hpgl, hp7470, hp7580, meta, colourps, cps, xwindows, x11, tektronics, tekt, tek4107t, tek, none, null, text, data, xterm, png, xml | EMBOSS_GRAPHICS value, or x11 |
| -outfile | Output file name | Output file | <sequence>.charge |
| Additional (Optional) qualifiers | Allowed values | Default | |
| -window | Window | Integer 1 or more | 5 |
| Advanced (Unprompted) qualifiers | Allowed values | Default | |
| -aadata | Amino acid property data file name | Data file | Eamino.dat |
| -plot | Produce graphic | Toggle value Yes/No | No |
Input file format
charge reads in a protein sequence.Input files for usage example
'tsw:hbb_human' is a sequence entry in the example protein database 'tsw'
Database entry: tsw:hbb_human
ID HBB_HUMAN STANDARD; PRT; 146 AA.
AC P02023;
DT 21-JUL-1986 (Rel. 01, Created)
DT 21-JUL-1986 (Rel. 01, Last sequence update)
DT 15-JUL-1999 (Rel. 38, Last annotation update)
DE HEMOGLOBIN BETA CHAIN.
GN HBB.
OS Homo sapiens (Human), Pan troglodytes (Chimpanzee), and
OS Pan paniscus (Pygmy chimpanzee) (Bonobo).
OC Eukaryota; Metazoa; Chordata; Craniata; Vertebrata; Mammalia;
OC Eutheria; Primates; Catarrhini; Hominidae; Homo.
RN [1]
RP SEQUENCE.
RC SPECIES=HUMAN;
RA BRAUNITZER G., GEHRING-MULLER R., HILSCHMANN N., HILSE K., HOBOM G.,
RA RUDLOFF V., WITTMANN-LIEBOLD B.;
RT "The constitution of normal adult human haemoglobin.";
RL Hoppe-Seyler's Z. Physiol. Chem. 325:283-286(1961).
RN [2]
RP SEQUENCE FROM N.A.
RC SPECIES=HUMAN;
RX MEDLINE; 81064667.
RA LAWN R.M., EFSTRATIADIS A., O'CONNELL C., MANIATIS T.;
RT "The nucleotide sequence of the human beta-globin gene.";
RL Cell 21:647-651(1980).
RN [3]
RP SEQUENCE OF 121-146 FROM N.A.
RC SPECIES=HUMAN;
RX MEDLINE; 85205333.
RA LANG K.M., SPRITZ R.A.;
RT "Cloning specific complete polyadenylylated 3'-terminal cDNA
RT segments.";
RL Gene 33:191-196(1985).
RN [4]
RP X-RAY CRYSTALLOGRAPHY (2.5 ANGSTROMS) OF DEOXYHEMOGLOBIN.
RC SPECIES=HUMAN;
RX MEDLINE; 76027820.
RA FERMI G.;
RT "Three-dimensional fourier synthesis of human deoxyhaemoglobin at
RT 2.5-A resolution: refinement of the atomic model.";
RL J. Mol. Biol. 97:237-256(1975).
RN [5]
RP SEQUENCE.
RC SPECIES=P.TROGLODYTES;
RX MEDLINE; 66071496.
RA RIFKIN D.B., KONIGSBERG W.;
RT "The characterization of the tryptic peptides from the hemoglobin of
RT the chimpanzee (Pan troglodytes).";
RL Biochim. Biophys. Acta 104:457-461(1965).
RN [6]
[Part of this file has been deleted for brevity]
FT VARIANT 140 140 A -> T (IN ST JACQUES: O2 AFFINITY UP).
FT /FTId=VAR_003081.
FT VARIANT 140 140 A -> V (IN PUTTELANGE; POLYCYTHEMIA;
FT O2 AFFINITY UP).
FT /FTId=VAR_003082.
FT VARIANT 141 141 L -> R (IN OLMSTED; UNSTABLE).
FT /FTId=VAR_003083.
FT VARIANT 142 142 A -> D (IN OHIO; O2 AFFINITY UP).
FT /FTId=VAR_003084.
FT VARIANT 143 143 H -> D (IN RANCHO MIRAGE).
FT /FTId=VAR_003085.
FT VARIANT 143 143 H -> Q (IN LITTLE ROCK; O2 AFFINITY UP).
FT /FTId=VAR_003086.
FT VARIANT 143 143 H -> P (IN SYRACUSE; O2 AFFINITY UP).
FT /FTId=VAR_003087.
FT VARIANT 143 143 H -> R (IN ABRUZZO; O2 AFFINITY UP).
FT /FTId=VAR_003088.
FT VARIANT 144 144 K -> E (IN MITO; O2 AFFINITY UP).
FT /FTId=VAR_003089.
FT VARIANT 145 145 Y -> C (IN RAINIER; O2 AFFINITY UP).
FT /FTId=VAR_003090.
FT VARIANT 145 145 Y -> H (IN BETHESDA; O2 AFFINITY UP).
FT /FTId=VAR_003091.
FT VARIANT 146 146 H -> D (IN HIROSHIMA; O2 AFFINITY UP).
FT /FTId=VAR_003092.
FT VARIANT 146 146 H -> L (IN COWTOWN; O2 AFFINITY UP).
FT /FTId=VAR_003093.
FT VARIANT 146 146 H -> P (IN YORK; O2 AFFINITY UP).
FT /FTId=VAR_003094.
FT VARIANT 146 146 H -> Q (IN KODAIRA; O2 AFFINITY UP).
FT /FTId=VAR_003095.
FT HELIX 5 15
FT TURN 16 17
FT HELIX 20 34
FT HELIX 36 41
FT HELIX 43 45
FT HELIX 51 55
FT TURN 56 56
FT HELIX 58 75
FT TURN 76 77
FT HELIX 78 94
FT TURN 95 96
FT TURN 100 100
FT HELIX 101 121
FT HELIX 124 142
FT TURN 143 144
SQ SEQUENCE 146 AA; 15867 MW; EC9744C9 CRC32;
VHLTPEEKSA VTALWGKVNV DEVGGEALGR LLVVYPWTQR FFESFGDLST PDAVMGNPKV
KAHGKKVLGA FSDGLAHLDN LKGTFATLSE LHCDKLHVDP ENFRLLGNVL VCVLAHHFGK
EFTPPVQAAY QKVVAGVANA LAHKYH
//
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Output file format
If the option '-plot' is specified then charge displays a graph of the charge along the sequence otherwise it writes out a file containing the charges within a window starting at each position along the sequence.The output file contains two columns separated by space or TAB characters. The first column is the position of the start of the window. The second column is the charge of the amino acids within that window.
Output files for usage example
File: hbb_human.charge
CHARGE of HBB_HUMAN from 1 to 146: window 5 Position Charge 1 0.100 2 -0.100 3 -0.400 4 -0.200 5 -0.200 6 -0.200 7 0.000 8 0.200 9 0.000 10 0.000 11 0.000 12 0.000 13 0.200 14 0.200 15 0.200 16 0.200 17 0.000 18 -0.400 19 -0.400 20 -0.400 21 -0.400 22 -0.400 23 -0.200 24 -0.200 25 -0.200 26 0.000 27 0.200 28 0.200 29 0.200 30 0.200 31 0.000 32 0.000 33 0.000 34 0.000 35 0.000 36 0.200 37 0.200 38 0.200 39 0.000 40 0.000 41 -0.200 42 -0.200 43 -0.400 44 -0.200 45 -0.200 46 -0.200 47 -0.200 [Part of this file has been deleted for brevity] 92 0.100 93 0.100 94 0.100 95 0.100 96 -0.100 97 -0.300 98 -0.400 99 -0.400 100 0.000 101 0.000 102 0.200 103 0.200 104 0.200 105 0.000 106 0.000 107 0.000 108 0.000 109 0.000 110 0.000 111 0.000 112 0.100 113 0.200 114 0.200 115 0.200 116 0.400 117 0.100 118 0.000 119 0.000 120 0.000 121 -0.200 122 0.000 123 0.000 124 0.000 125 0.000 126 0.000 127 0.000 128 0.200 129 0.200 130 0.200 131 0.200 132 0.200 133 0.000 134 0.000 135 0.000 136 0.000 137 0.000 138 0.000 139 0.100 140 0.300 141 0.300 142 0.400 |
Data files
charge reads the data file 'Eamino.dat' to find the charge of the amino acids in the protein.
EMBOSS data files are distributed with the application and stored in the standard EMBOSS data directory, which is defined by the EMBOSS environment variable EMBOSS_DATA.
To see the available EMBOSS data files, run:
% embossdata -showall
To fetch one of the data files (for example 'Exxx.dat') into your current directory for you to inspect or modify, run:
% embossdata -fetch -file Exxx.dat
Users can provide their own data files in their own directories. Project specific files can be put in the current directory, or for tidier directory listings in a subdirectory called ".embossdata". Files for all EMBOSS runs can be put in the user's home directory, or again in a subdirectory called ".embossdata".
The directories are searched in the following order:
- . (your current directory)
- .embossdata (under your current directory)
- ~/ (your home directory)
- ~/.embossdata
Notes
None.References
None.Warnings
None.Diagnostic Error Messages
None.Exit status
It always exits with status 0.Known bugs
None.See also
| Program name | Description |
|---|---|
| backtranseq | Back translate a protein sequence |
| checktrans | Reports STOP codons and ORF statistics of a protein |
| compseq | Count composition of dimer/trimer/etc words in a sequence |
| emowse | Protein identification by mass spectrometry |
| freak | Residue/base frequency table or plot |
| iep | Calculates the isoelectric point of a protein |
| mwcontam | Shows molwts that match across a set of files |
| mwfilter | Filter noisy molwts from mass spec output |
| octanol | Displays protein hydropathy |
| pepinfo | Plots simple amino acid properties in parallel |
| pepstats | Protein statistics |
| pepwindow | Displays protein hydropathy |
| pepwindowall | Displays protein hydropathy of a set of sequences |
Author(s)
Alan Bleasby (ajb © ebi.ac.uk)European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK