pepwheel |
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Function
Draw a helical wheel diagram for a protein sequenceDescription
pepwheel draws a helical wheel diagram for a protein sequence. This displays the sequence in a helical representation as if looking down the axis of the helix. It is useful for highlighting amphipathicity and other properties of residues around a helix. By default, aliphatic residues are marked with squares, hydrophilic residues are marked with diamonds, and positively charged residues with octagons, although this can be changed.
Usage
Here is a sample session with pepwheel
% pepwheel tsw:hbb_human -send 30 Draw a helical wheel diagram for a protein sequence 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
Draw a helical wheel diagram for a protein sequence Version: EMBOSS:6.4.0.0 Standard (Mandatory) qualifiers: [-sequence] sequence Protein sequence filename and optional format, or reference (input USA) -graph graph [$EMBOSS_GRAPHICS value, or x11] Graph type (ps, hpgl, hp7470, hp7580, meta, cps, x11, tek, tekt, none, data, xterm, png, gif, pdf, svg) Additional (Optional) qualifiers (* if not always prompted): -steps integer [18] The number of residues plotted per turn is this value divided by the 'turns' value. (Integer from 2 to 100) -turns integer [5] The number of residues plotted per turn is the 'steps' value divided by this value. (Integer from 1 to 100) * -squares string [ILVM] By default the aliphatic residues ILVM are marked with squares. (Any string) * -diamonds string [DENQST] By default the residues DENQST are marked with diamonds. (Any string) * -octags string [HKR] By default the positively charged residues HKR are marked with octagons. (Any string) Advanced (Unprompted) qualifiers: -[no]wheel boolean [Y] Plot the wheel -amphipathic toggle 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'. Associated qualifiers: "-sequence" associated qualifiers -sbegin1 integer Start of the sequence to be used -send1 integer End of the 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 -gdesc string Graph description -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 first file to standard output -filter boolean Read first file from standard input, write first file to 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 and exit. 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 dying program messages -version boolean Report version number and exit |
Qualifier | Type | Description | Allowed values | Default |
---|---|---|---|---|
Standard (Mandatory) qualifiers | ||||
[-sequence] (Parameter 1) |
sequence | Protein sequence filename and optional format, or reference (input USA) | Readable sequence | Required |
-graph | graph | Graph type | EMBOSS has a list of known devices, including ps, hpgl, hp7470, hp7580, meta, cps, x11, tek, tekt, none, data, xterm, png, gif, pdf, svg | EMBOSS_GRAPHICS value, or x11 |
Additional (Optional) qualifiers | ||||
-steps | integer | The number of residues plotted per turn is this value divided by the 'turns' value. | Integer from 2 to 100 | 18 |
-turns | integer | The number of residues plotted per turn is the 'steps' value divided by this value. | Integer from 1 to 100 | 5 |
-squares | string | By default the aliphatic residues ILVM are marked with squares. | Any string | ILVM |
-diamonds | string | By default the residues DENQST are marked with diamonds. | Any string | DENQST |
-octags | string | By default the positively charged residues HKR are marked with octagons. | Any string | HKR |
Advanced (Unprompted) qualifiers | ||||
-[no]wheel | boolean | Plot the wheel | Boolean value Yes/No | Yes |
-amphipathic | toggle | 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'. | Toggle value Yes/No | No |
Associated qualifiers | ||||
"-sequence" associated sequence qualifiers | ||||
-sbegin1 -sbegin_sequence |
integer | Start of the sequence to be used | Any integer value | 0 |
-send1 -send_sequence |
integer | End of the sequence to be used | Any integer value | 0 |
-sreverse1 -sreverse_sequence |
boolean | Reverse (if DNA) | Boolean value Yes/No | N |
-sask1 -sask_sequence |
boolean | Ask for begin/end/reverse | Boolean value Yes/No | N |
-snucleotide1 -snucleotide_sequence |
boolean | Sequence is nucleotide | Boolean value Yes/No | N |
-sprotein1 -sprotein_sequence |
boolean | Sequence is protein | Boolean value Yes/No | N |
-slower1 -slower_sequence |
boolean | Make lower case | Boolean value Yes/No | N |
-supper1 -supper_sequence |
boolean | Make upper case | Boolean value Yes/No | N |
-sformat1 -sformat_sequence |
string | Input sequence format | Any string | |
-sdbname1 -sdbname_sequence |
string | Database name | Any string | |
-sid1 -sid_sequence |
string | Entryname | Any string | |
-ufo1 -ufo_sequence |
string | UFO features | Any string | |
-fformat1 -fformat_sequence |
string | Features format | Any string | |
-fopenfile1 -fopenfile_sequence |
string | Features file name | Any string | |
"-graph" associated graph qualifiers | ||||
-gprompt | boolean | Graph prompting | Boolean value Yes/No | N |
-gdesc | string | Graph description | Any string | Helical wheel |
-gtitle | string | Graph title | Any string | |
-gsubtitle | string | Graph subtitle | Any string | |
-gxtitle | string | Graph x axis title | Any string | $(sequence.name) |
-gytitle | string | Graph y axis title | Any string | |
-goutfile | string | Output file for non interactive displays | Any string | |
-gdirectory | string | Output directory | Any string | |
General qualifiers | ||||
-auto | boolean | Turn off prompts | Boolean value Yes/No | N |
-stdout | boolean | Write first file to standard output | Boolean value Yes/No | N |
-filter | boolean | Read first file from standard input, write first file to standard output | Boolean value Yes/No | N |
-options | boolean | Prompt for standard and additional values | Boolean value Yes/No | N |
-debug | boolean | Write debug output to program.dbg | Boolean value Yes/No | N |
-verbose | boolean | Report some/full command line options | Boolean value Yes/No | Y |
-help | boolean | Report command line options and exit. More information on associated and general qualifiers can be found with -help -verbose | Boolean value Yes/No | N |
-warning | boolean | Report warnings | Boolean value Yes/No | Y |
-error | boolean | Report errors | Boolean value Yes/No | Y |
-fatal | boolean | Report fatal errors | Boolean value Yes/No | Y |
-die | boolean | Report dying program messages | Boolean value Yes/No | Y |
-version | boolean | Report version number and exit | Boolean value Yes/No | N |
Input file format
pepwheel reads a single protein sequence.
The input is a standard EMBOSS sequence query (also known as a 'USA').
Major sequence database sources defined as standard in EMBOSS installations include srs:embl, srs:uniprot and ensembl
Data can also be read from sequence output in any supported format written by an EMBOSS or third-party application.
The input format can be specified by using the command-line qualifier -sformat xxx, where 'xxx' is replaced by the name of the required format. The available format names are: gff (gff3), gff2, embl (em), genbank (gb, refseq), ddbj, refseqp, pir (nbrf), swissprot (swiss, sw), dasgff and debug.
See: http://emboss.sf.net/docs/themes/SequenceFormats.html for further information on sequence formats.
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 Reviewed; 147 AA. AC P68871; A4GX73; B2ZUE0; P02023; Q13852; Q14481; Q14510; Q45KT0; AC Q549N7; Q6FI08; Q6R7N2; Q8IZI1; Q9BX96; Q9UCD6; Q9UCP8; Q9UCP9; DT 21-JUL-1986, integrated into UniProtKB/Swiss-Prot. DT 23-JAN-2007, sequence version 2. DT 15-JUN-2010, entry version 88. DE RecName: Full=Hemoglobin subunit beta; DE AltName: Full=Hemoglobin beta chain; DE AltName: Full=Beta-globin; DE Contains: DE RecName: Full=LVV-hemorphin-7; GN Name=HBB; OS Homo sapiens (Human). OC Eukaryota; Metazoa; Chordata; Craniata; Vertebrata; Euteleostomi; OC Mammalia; Eutheria; Euarchontoglires; Primates; Haplorrhini; OC Catarrhini; Hominidae; Homo. OX NCBI_TaxID=9606; RN [1] RP NUCLEOTIDE SEQUENCE [GENOMIC DNA]. RX MEDLINE=77126403; PubMed=1019344; RA Marotta C., Forget B., Cohen-Solal M., Weissman S.M.; RT "Nucleotide sequence analysis of coding and noncoding regions of human RT beta-globin mRNA."; RL Prog. Nucleic Acid Res. Mol. Biol. 19:165-175(1976). RN [2] RP NUCLEOTIDE SEQUENCE [GENOMIC DNA]. RX MEDLINE=81064667; PubMed=6254664; DOI=10.1016/0092-8674(80)90428-6; 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 NUCLEOTIDE SEQUENCE [GENOMIC DNA], AND VARIANT LYS-7. RX PubMed=16175509; DOI=10.1086/491748; RA Wood E.T., Stover D.A., Slatkin M., Nachman M.W., Hammer M.F.; RT "The beta-globin recombinational hotspot reduces the effects of strong RT selection around HbC, a recently arisen mutation providing resistance RT to malaria."; RL Am. J. Hum. Genet. 77:637-642(2005). RN [4] RP NUCLEOTIDE SEQUENCE [GENOMIC DNA]. RA Lu L., Hu Z.H., Du C.S., Fu Y.S.; RT "DNA sequence of the human beta-globin gene isolated from a healthy RT Chinese."; RL Submitted (JUN-1997) to the EMBL/GenBank/DDBJ databases. RN [5] RP NUCLEOTIDE SEQUENCE [GENOMIC DNA], AND VARIANT ARG-113. RA Cabeda J.M., Correia C., Estevinho A., Cardoso C., Amorim M.L., RA Cleto E., Vale L., Coimbra E., Pinho L., Justica B.; RT "Unexpected patterns of globin mutations in thalassemia patients from RT north of Portugal."; [Part of this file has been deleted for brevity] FT VARIANT 141 141 A -> V (in Puttelange; polycythemia; O(2) FT affinity up). FT /FTId=VAR_003082. FT VARIANT 142 142 L -> R (in Olmsted; unstable). FT /FTId=VAR_003083. FT VARIANT 143 143 A -> D (in Ohio; O(2) affinity up). FT /FTId=VAR_003084. FT VARIANT 144 144 H -> D (in Rancho Mirage). FT /FTId=VAR_003085. FT VARIANT 144 144 H -> P (in Syracuse; O(2) affinity up). FT /FTId=VAR_003087. FT VARIANT 144 144 H -> Q (in Little Rock; O(2) affinity FT up). FT /FTId=VAR_003086. FT VARIANT 144 144 H -> R (in Abruzzo; O(2) affinity up). FT /FTId=VAR_003088. FT VARIANT 145 145 K -> E (in Mito; O(2) affinity up). FT /FTId=VAR_003089. FT VARIANT 146 146 Y -> C (in Rainier; O(2) affinity up). FT /FTId=VAR_003090. FT VARIANT 146 146 Y -> H (in Bethesda; O(2) affinity up). FT /FTId=VAR_003091. FT VARIANT 147 147 H -> D (in Hiroshima; O(2) affinity up). FT /FTId=VAR_003092. FT VARIANT 147 147 H -> L (in Cowtown; O(2) affinity up). FT /FTId=VAR_003093. FT VARIANT 147 147 H -> P (in York; O(2) affinity up). FT /FTId=VAR_003094. FT VARIANT 147 147 H -> Q (in Kodaira; O(2) affinity up). FT /FTId=VAR_003095. FT CONFLICT 26 26 Missing (in Ref. 15; ACD39349). FT CONFLICT 42 42 F -> L (in Ref. 13; AAR96398). FT HELIX 6 16 FT TURN 21 23 FT HELIX 24 35 FT HELIX 37 42 FT HELIX 44 46 FT HELIX 52 57 FT HELIX 59 77 FT TURN 78 80 FT HELIX 82 94 FT TURN 95 97 FT HELIX 102 119 FT HELIX 120 122 FT HELIX 125 142 FT HELIX 144 146 SQ SEQUENCE 147 AA; 15998 MW; A31F6D621C6556A1 CRC64; MVHLTPEEKS AVTALWGKVN VDEVGGEALG RLLVVYPWTQ RFFESFGDLS TPDAVMGNPK VKAHGKKVLG AFSDGLAHLD NLKGTFATLS ELHCDKLHVD PENFRLLGNV LVCVLAHHFG KEFTPPVQAA YQKVVAGVAN ALAHKYH // |
Output file format
The output is to the specified graphics device.
The results can be output in one of several formats by using the command-line qualifier -graph xxx, where 'xxx' is replaced by the name of the required device. Support depends on the availability of third-party software packages.
The device names that output to a file are: ps (postscript), cps (colourps), png, gif, pdf, svg, hpgl, hp7470, hp7580, das, data.
The other available device names are: meta, x11 (xwindows), tek (tek4107t), tekt (tektronix), xterm, text.
Output can be turned off by specifying none (null).
See: http://emboss.sf.net/docs/themes/GraphicsDevices.html for further information on supported devices.
Output files for usage example
Graphics File: pepwheel.ps
Data files
None.Notes
The number of residues plotted per turn is the specified "steps" value (-steps) divided by the specified "turns" value (-turns).
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.
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.
References
- Rachamandran and Sasisekharan, Adv. Protein Chem. 23:283-437, 1968
- 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 | Display the trace in an ABI sequencer file |
cirdna | Draws circular maps of DNA constructs |
garnier | Predicts protein secondary structure using GOR method |
helixturnhelix | Identify nucleic acid-binding motifs in protein sequences |
iep | Calculate the isoelectric point of proteins |
lindna | Draws linear maps of DNA constructs |
pepcoil | Predicts coiled coil regions in protein sequences |
pepinfo | Plot amino acid properties of a protein sequence in parallel |
pepnet | Draw a helical net for a protein sequence |
plotorf | Plot potential open reading frames in a nucleotide sequence |
prettyplot | Draw a sequence alignment with pretty formatting |
prettyseq | Write a nucleotide sequence and its translation to file |
remap | Display restriction enzyme binding sites in a nucleotide sequence |
showfeat | Display features of a sequence in pretty format |
showpep | Displays protein sequences with features in pretty format |
sixpack | Display a DNA sequence with 6-frame translation and ORFs |
Author(s)
Alan BleasbyEuropean Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
Please report all bugs to the EMBOSS bug team (emboss-bug © emboss.open-bio.org) not to the original author.