| pepwindow

## Function

Displays protein hydropathy

## Description

pepwindow reads in a protein sequence and displays a graph of the classic Kyte & Doolittle hydropathy plot of that protein.

## Usage

Here is a sample session with pepwindow

    % pepwindow tsw:hba_human
    Displays protein hydropathy
    Graph type [x11]: cps

    Created pepwindow.ps

Go to the input files for this example
Go to the output files for this example

## Command line arguments

       Mandatory qualifiers:
      [-sequencea]         sequence   Sequence USA
       -graph              xygraph    Graph type

       Optional qualifiers:
       -datafile           datafile   Aaindex database file
       -length             integer    window size

       Advanced qualifiers: (none)
       Associated qualifiers:
      "-sequencea" related qualifiers
       -sbegin1             integer    First base used
       -send1               integer    Last base used, def=seq length
       -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
       -sopenfile1          string     Input filename
       -sdbname1            string     Database name
       -sid1                string     Entryname
       -ufo1                string     UFO features
       -fformat1            string     Features format
       -fopenfile1          string     Features file name
      "-graph" related 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

       General qualifiers:
       -auto                boolean    Turn off prompts
       -stdout              boolean    Write standard output
       -filter              boolean    Read standard input, write standard output
       -options             boolean    Prompt for required and optional values
       -debug               boolean    Write debug output to program.dbg
       -acdlog              boolean    Write ACD processing log to program.acdlog
       -acdpretty           boolean    Rewrite ACD file as program.acdpretty
       -acdtable            boolean    Write HTML table of options
       -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

Mandatory qualifiers | Allowed values | Default
--- | --- | ---
[-sequencea] (Parameter 1) | Sequence USA | Readable sequence | 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 | EMBOSS_GRAPHICS value, or x11
Optional qualifiers | Allowed values | Default
-datafile | Aaindex database file | Data file | Enakai.dat
-length | window size | Integer from 1 to 200 | 7
Advanced qualifiers | Allowed values | Default
(none)

## Input file format

pepwindow reads any protein sequence USA.

### Input files for usage example

'tsw:hba_human' is a sequence entry in the example protein database 'tsw'

### Database entry: tsw:hba_human

    ID   HBA_HUMAN      STANDARD;      PRT;   141 AA.
    AC   P01922;
    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 ALPHA CHAIN.
    GN   HBA1 AND HBA2.
    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 FROM N.A. (ALPHA-1).
    RX   MEDLINE; 81088339.
    RA   MICHELSON A.M., ORKIN S.H.;
    RT   "The 3' untranslated regions of the duplicated human alpha-globin
    RT   genes are unexpectedly divergent.";
    RL   Cell 22:371-377(1980).
    RN   [2]
    RP   SEQUENCE FROM N.A. (ALPHA-2).
    RX   MEDLINE; 81175088.
    RA   LIEBHABER S.A., GOOSSENS M.J., KAN Y.W.;
    RT   "Cloning and complete nucleotide sequence of human 5'-alpha-globin
    RT   gene.";
    RL   Proc. Natl. Acad. Sci. U.S.A. 77:7054-7058(1980).
    RN   [3]
    RP   SEQUENCE FROM N.A. (ALPHA-2).
    RX   MEDLINE; 80137531.
    RA   WILSON J.T., WILSON L.B., REDDY V.B., CAVALLESCO C., GHOSH P.K.,
    RA   DERIEL J.K., FORGET B.G., WEISSMAN S.M.;
    RT   "Nucleotide sequence of the coding portion of human alpha globin
    RT   messenger RNA.";
    RL   J. Biol. Chem. 255:2807-2815(1980).
    RN   [4]
    RP   SEQUENCE FROM N.A. (ALPHA-1 AND ALPHA-2).
    RA   FLINT J., HIGGS D.R.;
    RL   Submitted (JAN-1997) to the EMBL/GenBank/DDBJ databases.
    RN   [5]
    RP   SEQUENCE.
    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   [6]
    RP   SEQUENCE.
    RA   HILL R.J., KONIGSBERG W.;
    RT   "The structure of human hemoglobin: IV. The chymotryptic digestion of
    RT   the alpha chain of human hemoglobin.";
    RL   J. Biol. Chem. 237:3151-3156(1962).
    RN   [7]

      [Part of this file has been deleted for brevity]

    FT                                /FTId=VAR_002841.
    FT   VARIANT     130    130       A -> D (IN YUDA; O2 AFFINITY DOWN).
    FT                                /FTId=VAR_002842.
    FT   VARIANT     131    131       S -> P (IN QUESTEMBERT; HIGHLY UNSTABLE;
    FT                                CAUSES ALPHA-THALASSEMIA).
    FT                                /FTId=VAR_002843.
    FT   VARIANT     133    133       S -> R (IN VAL DE MARNE; O2 AFFINITY UP).
    FT                                /FTId=VAR_002844.
    FT   VARIANT     135    135       V -> E (IN PAVIE).
    FT                                /FTId=VAR_002845.
    FT   VARIANT     136    136       L -> M (IN CHICAGO).
    FT                                /FTId=VAR_002846.
    FT   VARIANT     136    136       L -> P (IN BIBBA; UNSTABLE;
    FT                                CAUSES ALPHA-THALASSEMIA).
    FT                                /FTId=VAR_002847.
    FT   VARIANT     138    138       S -> P (IN ATTLEBORO; O2 AFFINITY UP).
    FT                                /FTId=VAR_002848.
    FT   VARIANT     139    139       K -> E (IN HANAKAMI; O2 AFFINITY UP).
    FT                                /FTId=VAR_002849.
    FT   VARIANT     139    139       K -> T (IN TOKONAME; O2 AFFINITY UP).
    FT                                /FTId=VAR_002850.
    FT   VARIANT     140    140       Y -> H (IN ROUEN; O2 AFFINITY UP).
    FT                                /FTId=VAR_002851.
    FT   VARIANT     141    141       R -> C (IN NUNOBIKI; O2 AFFINITY UP).
    FT                                /FTId=VAR_002852.
    FT   VARIANT     141    141       R -> L (IN LEGNANO; O2 AFFINITY UP).
    FT                                /FTId=VAR_002853.
    FT   VARIANT     141    141       R -> H (IN SURESNES; O2 AFFINITY UP).
    FT                                /FTId=VAR_002854.
    FT   VARIANT     141    141       R -> P (IN SINGAPORE).
    FT                                /FTId=VAR_002855.
    FT   HELIX         4     35
    FT   HELIX        37     42
    FT   TURN         44     45
    FT   TURN         50     51
    FT   HELIX        53     71
    FT   TURN         72     74
    FT   HELIX        76     79
    FT   TURN         80     80
    FT   HELIX        81     89
    FT   TURN         90     91
    FT   TURN         95     95
    FT   HELIX        96    112
    FT   TURN        114    116
    FT   HELIX       119    136
    FT   TURN        137    139
    SQ   SEQUENCE   141 AA;  15126 MW;  5EC7DB1E CRC32;
         VLSPADKTNV KAAWGKVGAH AGEYGAEALE RMFLSFPTTK TYFPHFDLSH GSAQVKGHGK
         KVADALTNAV AHVDDMPNAL SALSDLHAHK LRVDPVNFKL LSHCLLVTLA AHLPAEFTPA
         VHASLDKFLA SVSTVLTSKY R
    //

## Output file format

An image is displayed on the specified graphics device.

### Output files for usage example

### Graphics File: pepwindow.ps

## Data files

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

pepwindow reads the Kyte-Doolittle hydropathy data from the file 'Enakai.dat'

The EMBOSS data file 'Enakai.dat' contains :-

    D Hydropathy index (Kyte-Doolittle, 1982)
    R 0807099
    A Kyte, J. and Doolittle, R.F.
    T A simple method for displaying the hydropathic character of a protein
    J J. Mol. Biol. 157, 105-132 (1982)
    C CHOC760103    0.964  JANJ780102    0.922  DESM900102    0.898
      EISD860103    0.897  CHOC760104    0.889  WOLR810101    0.885
      RADA880101    0.884  MANP780101    0.881  EISD840101    0.878
      PONP800103    0.870  NAKH920108    0.868  JANJ790101    0.867
      JANJ790102    0.866  PONP800102    0.861  MEIH800103    0.856
      PONP800101    0.851  PONP800108    0.850  WARP780101    0.845
      RADA880108    0.842  ROSG850102    0.841  DESM900101    0.837
      BIOV880101    0.829  RADA880107    0.828  LIFS790102    0.824
      KANM800104    0.824  CIDH920104    0.824  MIYS850101    0.821
      RADA880104    0.819  NAKH900111    0.817  NISK800101    0.812
      FAUJ830101    0.811  ARGP820103    0.806  NAKH920105    0.803
      ARGP820102    0.803  KRIW790101   -0.805  CHOC760102   -0.838
      GUYH850101   -0.843  RACS770102   -0.844  JANJ780103   -0.845
      ROSM880101   -0.845  PRAM900101   -0.850  JANJ780101   -0.852
      GRAR740102   -0.859  MEIH800102   -0.871  ROSM880102   -0.878
      OOBM770101   -0.899
    I   A/L    R/K    N/M    D/F    C/P    Q/S    E/T    G/W    H/Y    I/V
        1.8   -4.5   -3.5   -3.5    2.5   -3.5   -3.5   -0.4   -3.2    4.5
        3.8   -3.9    1.9    2.8   -1.6   -0.8   -0.7   -0.9   -1.3    4.2
    //

pepwindow can use any of the "Nakai et al." database of amino acid parameters - these used to be in a database called "NAKAI" but are now in one called "AAINDEX". EMBOSS has a program aaindexextract that takes data from this database and makes it available for pepwindow.

1. FTP the AAINDEX database from Japan:
ftp://ftp.genome.ad.jp/pub/db/genomenet/aaindex/aaindex1

2. Run aaindexextract with the aaindex1 file as input (or ask whoever installs EMBOSS to run it)

3. Run pepwindow with -datafile specifying the name of whatever "AAINDEX" datafile you wish to use. (Use embossdata -showall to see your available "AAINDEX" data file names.)

## Notes

None.

## References

    Kyte, J. and Doolittle, R.F.
    A simple method for displaying the hydropathic character of a protein
    J. Mol. Biol. 157, 105-132 (1982)

## Warnings

None.

## Diagnostic Error Messages

None.

## Exit status

0 upon successful completion.

## Known bugs

None.

## See also

Program name | Description
--- | ---
backtranseq | Back translate a protein sequence
charge | Protein charge plot
checktrans | Reports STOP codons and ORF statistics of a protein
compseq | Counts the 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
pepwindowall | Displays protein hydropathy of a set of sequences

pepwindow can use any of the "Nakai et al." database of amino acid parameters - these are in a database called "AAINDEX". The program aaindexextract takes data from this database and makes it available for pepwindow.

## Author(s)

Ian Longden (il © sanger.ac.uk)
Sanger Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge, CB10 1SA, UK.

Based on the original program by Jack Kyte and Russell F. Doolittle.

## History

    Completed 27th May 1999.

## Target users

This program is intended to be used by everyone and everything, from naive users to embedded scripts.

## Comments