| pepwheel

## Function

Shows protein sequences as helices

## Description

pepwheel

displays peptide sequences in a helical representation.

This gives a view of a helix from a protein sequence looking down the axis of the helix.

It is useful for highlighting amphipathicity and other properties of residues around a helix.

## Usage

Here is a sample session with pepwheel

    % pepwheel tsw:hbb_human -send 30
    Shows protein sequences as helices
    Graph type [x11]: cps

    Created pepwheel.ps

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

## Command line arguments

       Mandatory qualifiers (* if not always prompted):
      [-sequence]          sequence   Sequence USA
    *  -outfile            outfile    Output file name
    *  -graph              graph      Graph type

       Optional qualifiers (* if not always prompted):
       -steps              integer    The number of residues plotted per turn is
                                      this value divided by the 'turns' value.
       -turns              integer    The number of residues plotted per turn is
                                      the 'steps' value divided by this value.
    *  -squares            string     By default the aliphatic residues ILVM are
                                      marked with squares.
    *  -diamonds           string     By default the residues DENQST are marked
                                      with diamonds.
    *  -octags             string     By default the positively charged residues
                                      HKR are marked with octagons.

       Advanced qualifiers:
       -[no]wheel          boolean    Plot the wheel
       -amphipathic        boolean    If this is true then the residues ACFGILMVWY
                                      are marked as squares and all other
                                      residues are unmarked. This overrides any
                                      other markup that you may have specified
                                      using the qualifiers '-squares', '-diamonds'
                                      and '-octags'.
       -data               boolean    Output the match data to a file instead of
                                      plotting it

       Associated qualifiers:
      "-sequence" 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
      "-outfile" related qualifiers
       -odirectory          string     Output directory
      "-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
--- | --- | ---
[-sequence] (Parameter 1) | Sequence USA | Readable sequence | Required
-outfile | Output file name | Output file | <sequence>.pepwheel
-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
-steps | The number of residues plotted per turn is this value divided by the 'turns' value. | Integer from 2 to 100 | 18
-turns | The number of residues plotted per turn is the 'steps' value divided by this value. | Integer from 1 to 100 | 5
-squares | By default the aliphatic residues ILVM are marked with squares. | Any string is accepted | ILVM
-diamonds | By default the residues DENQST are marked with diamonds. | Any string is accepted | DENQST
-octags | By default the positively charged residues HKR are marked with octagons. | Any string is accepted | HKR
Advanced qualifiers | Allowed values | Default
-[no]wheel | Plot the wheel | Boolean value Yes/No | Yes
-amphipathic | If this is true then the residues ACFGILMVWY are marked as squares and all other residues are unmarked. This overrides any other markup that you may have specified using the qualifiers '-squares', '-diamonds' and '-octags'. | Boolean value Yes/No | No
-data | Output the match data to a file instead of plotting it | Boolean value Yes/No | No

## Input file format

pepwheel reads any protein sequence USA.

### 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
    //

## Output file format

An image is output to the specified graphics device.

### Output files for usage example

### Graphics File: pepwheel.ps

## Data files

None.

## Notes

The default settings for turn (5) and steps (18) apply to alpha helices. For other possible secondary structures, see the following table:

    helix       phi   psi  omega  res/turn  transl.  turns  steps
    alpha       -57   -47    180       3.6     1.50      5     18
    3-10        -49   -26    180       3.0     2.00      1      3
    pi          -57   -70    180       4.4     1.15      5     22
    PP I        -83   158      0       3.33    1.9       3     10
    PP II       -78   149    180       3.0     3.12      1      3
    PG II       -80   150    180       3.0     3.1       1      3
    anti Beta  -139   135   -178       2.0     3.4       4      9
    para Beta  -119   113    180       2.0     3.2       4      9

    PP is polyproline
    PG II is polyGlycine.

## References

1. Rachamandran and Sasisekharan, Adv. Protein Chem. 23:283-437, 1968
2. IUPAC-IUB Commission on biochemical nomenclature, Biochemistry 9:3471-3479, 1970

## Warnings

When you specify the number of turns and steps, be aware that you should remove common factors from these two numbers. For example, if you (for some improbable reason) wished to plot a wheel with 8 turns in 18 steps (2.25 residues per turn) you should remove the common factor (i.e. 2) and specify 4 turns in 9 steps.

## Diagnostic Error Messages

None.

## Exit status

0 upon successful completion.

## Known bugs

None.

## See also

Program name | Description
--- | ---
abiview | Reads ABI file and display the trace
cirdna | Draws circular maps of DNA constructs
garnier | Predicts protein secondary structure
helixturnhelix | Report nucleic acid binding motifs
hmoment | Hydrophobic moment calculation
lindna | Draws linear maps of DNA constructs
pepcoil | Predicts coiled coil regions
pepnet | Displays proteins as a helical net
prettyplot | Displays aligned sequences, with colouring and boxing
prettyseq | Output sequence with translated ranges
remap | Display a sequence with restriction cut sites, translation etc
seealso | Finds programs sharing group names
showalign | Displays a multiple sequence alignment
showdb | Displays information on the currently available databases
showfeat | Show features of a sequence
showseq | Display a sequence with features, translation etc
sixpack | Display a DNA sequence with 6-frame translation and ORFs
textsearch | Search sequence documentation text. SRS and Entrez are faster!
tmap | Displays membrane spanning regions

## Author(s)

Alan Bleasby (ableasby © hgmp.mrc.ac.uk)
HGMP-RC, Genome Campus, Hinxton, Cambridge CB10 1SB, UK

## History

Written (March 1999) - Alan Bleasby

## Target users

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

## Comments