|
|
(18 intermediate revisions by the same user not shown) |
Line 1: |
Line 1: |
| ==ConSurf Prototype== | | ==Notes on mini- and microproteins== |
|
| |
|
| {{STRUCTURE_2hhd| PDB=2hhd | SCENE= }}
| | ===Micro=== |
|
| |
|
| ===Scenes===
| | *2018: Microproteins are "translated from protein-coding small open reading frames (smORFs, less than 100–150 codons in length)." "to reduce false positives... most genome annotation pipelines required ORFs to be at least 300 nucleotides long (i.e. 100 amino acids) resulting in most smORFs being missed." <ref>PMID: 30415582</ref> |
| Opening the proposed <i>Evolutionary Conservation</i> section below the molecule would automatically color all chains by ConSurf, and spacefill them. Checkboxes in this section, one per chain, would be checked when the section is first opened. Unchecking a given chain would render it as a gray backbone (as in ConSurf). Ligands will be ball and stick, with dot surfaces, colored by element (as in ConSurf; oops, forgot to do the sulfates in some scenes). Here, for demonstration purposes, are 5 of the 16 possible scenes that 4-chain-checkboxes could generate:
| |
| *<scene name='User:Eric_Martz/Sandbox_3/Consurf/1'>ConSurf color all 4 chains</scene> (2 alphas, A and C, and 2 betas, B and D, in 2HHD).
| |
| *<scene name='User:Eric_Martz/Sandbox_3/Consurf/2'>ConSurf color only chains A and B</scene> (one alpha, one beta)
| |
| *<scene name='User:Eric_Martz/Sandbox_3/Consurf/3'>ConSurf color only chains A and C</scene> (both alphas)
| |
| *<scene name='User:Eric_Martz/Sandbox_3/Consurf/4'>ConSurf color only chain A</scene>
| |
| *<scene name='User:Eric_Martz/Sandbox_3/Consurf/5'>All chains unchecked</scene>
| |
|
| |
|
| ===Button Tests===
| | *2015: "MicroProteins (miPs) are short, usually single-domain proteins that, in analogy to miRNAs, heterodimerize with their targets and exert a dominant-negative effect." They "disrupt the formation of homodimeric, heterodimeric, or multimeric complexes". "The term ‘microProtein’ was coined due to their small size and negative regulatory similarity to miRNAs" <ref>PMID: 26115780</ref> |
|
| |
|
| <!-- UNNECESSARY WITH REVISED IF LOGIC
| |
| <jmol>
| |
| <jmolButton>
| |
| <script> ~A = 1;~B = 1;</script>
| |
| <text>set A, B</text>
| |
| </jmolButton>
| |
| </jmol>
| |
| -->
| |
|
| |
|
| <jmol> | | *2011 review <ref>PMID: 21151039</ref> |
| <jmolButton>
| |
| <script>if (consurf_A!=0); select:A; spacefill off;color translucent -1; consurf_A = 0;javascript "document.getElementById('jmb_A').value='A [ ]'"; else; select:A; spacefill on; color opaque;consurf_A = 1;javascript "document.getElementById('jmb_A').value='A [x]';"; endif;</script>
| |
| <text>A [ ]</text>
| |
| <name>jmb_A</name>
| |
| </jmolButton>
| |
| </jmol> Lower case x so it doesn't look like chain X. Two spaces in empty [ ]. Uses document.getElementById('jmb_A').value='...'. Works in | |
|
| |
|
| *Internet Explorer 7/Windows XP
| | ===Mini=== |
| *Internet Explorer 6/Windows 98
| |
| *Firefox2/Windows 98/Windows XP
| |
| *Firefox2/OSX
| |
| *Safari/OSX (mouse movement needed to get the text change, else button label is always one step behind).
| |
|
| |
|
| <!-- | | *2017: Miniproteins are "polypeptide chains <40 amino acids in length that adopt defined and stable 3D structures". They are often designed, or screened from designed libraries. <ref>PMID: 28832117</ref> |
| Checkmark is ✓
| |
| <jmol>
| |
| <jmolButton>
| |
| <script>if (~B==1); select:B; spacefill off;color translucent -1; ~B = 0;javascript "bB.value='B[ ]'"; else; select:B; spacefill on; color opaque;~B = 1;javascript "bB.value='B[x]'"; endif;</script>
| |
| <text>\B\[✓\]</text>
| |
| <name>bB</name>
| |
| </jmolButton>
| |
| </jmol> The checkmark causes the previous characters to disappear. ??
| |
| -->
| |
|
| |
|
| <jmol>
| | *2017: De novo designed: <ref>PMID: 28953867</ref> |
| <jmolButton>
| |
| <script>if (~B!=0); select:B; spacefill off;color translucent -1; ~B = 0;javascript "bB.value='B [ ]'"; else; select:B; spacefill on; color opaque;~B = 1;javascript "bB.value='B [x]'"; endif;</script>
| |
| <text>B [ ]</text>
| |
| <name>bB</name>
| |
| </jmolButton>
| |
| </jmol> Uses bB.value='...'. Firefox: javascript error, bB is not defined, so no button text change in Firefox. Firefox every second click ignored unless mouseout between clicks. Works in Safari/OSX and Internet Explorer 6/7/Windows.
| |
|
| |
|
| Checkmark: ✓ but if it is used in the button text label, the previous characters don't appear. Could maybe use a button label ✓A instead of A[✓], but haven't tested it. And in Internet Explorer 7, this "checkmark" appears as two horizontal bars. Not worth pursuing, I think. (Similarly, I often see problems with greek letters, so it is better to spell them out in English than to try to show the actual greek letter.)
| | *2015: Viruses have hydrophobic, membrane-spanning miniproteins. <ref>PMID: 26057606</ref> <ref>PMID: 24742054</ref> |
|
| |
|
| ===User Interface & Color Key===
| | *2011: Cysteine knot miniproteins are a subset of miniproteins that can be natural or engineered. <ref>PMID: 22204431</ref> |
|
| |
|
| To keep the user interface simple in Proteopedia, at least to start with, I propose that the only controls will be one checkbox per chain to ConSurf-color+spacefill each chain or not. The color key will not be interactive (unlike in ConSurf). Clicking the link <i>Complete results at ConSurf</i> will provide a path to the display in <i>FirstGlance in Jmol</i> with many more options.
| | ==In Proteopedia== |
| | *There are about 60 entries found with a search for "miniprotein" (but no such category). |
| | *[[:Category:Microprotein]] has 3 entries, and [[:Category:Hybrid microprotein]] has 1. |
|
| |
|
| Below are non-interactive mockups just to suggest the look for a user interface that would be an additional expandable block beneath the molecule.
| |
| *Links do not work.
| |
| *When a chain is "checked" [x], it will be colored by conservation, and spacefill it. When unchecked, that chain will become a gray backbone trace.
| |
| *The link to ''Explanation'' would go to a Proteopedia page of explanation. It might be a revised version of [[Conservation, Evolutionary]].
| |
|
| |
|
| | | ==References== |
| <b>Before expanding this section, it could look like this:</b>
| | <references /> |
| | |
| <table border="0" cellspacing="0" cellpadding="2" width="330">
| |
| <tr>
| |
| <td align="left" colspan="2" bgcolor="#bac9f7">
| |
| <font color="#2020e0"><b>Evolutionary Conservation:</b></font>
| |
|
| |
|
| |
|
| |
| [<font color="#1010ff">show</font>]
| |
| </td></tr>
| |
| </table>
| |
| | |
| <br>
| |
| | |
| <b>After expanding, it could look like this (using buttons):</b>
| |
| <table class="collapsible collapsed" border="0" cellspacing="0" width="330">
| |
| <tr>
| |
| <td align="left" colspan="2" bgcolor="#bac9f7">
| |
| <font color="#2020e0"><b>Evolutionary Conservation:</b></font>
| |
|
| |
|
| |
|
| |
| [<font color="#1010ff">hide</font>]
| |
| </td></tr>
| |
| <tr><td colspan="2" style="background-color:#bac9f7;color:#040d44;vertical-align:top;text-align:left;"></td></tr>
| |
| <!-- <tr><td colspan='2' style="background-color:#bac9f7;"> -->
| |
| <tr><td colspan='2' style="background-color:#bac9f7;">
| |
| [[Image:Consurf_key_small.gif|center]]
| |
| </td></tr>
| |
| | |
| <tr><td style="background-color:#bac9f7;color:#040d44;vertical-align:top;text-align:left;">
| |
| <b>Toggle Conservation Colors:</b>
| |
| </td><td align="left" style="background-color:#ace3ac;border-top:2px solid #dddddd; border-right:2px solid #dddddd" width="230"> Rows = identical sequences:<br>
| |
| <jmol>
| |
| <jmolButton>
| |
| <script>if (consurf_A!=0); select:A; spacefill off;color translucent -1; consurf_A = 0;javascript "document.getElementById('jmb_AA').value='A [ ]'"; else; select:A; spacefill on; color opaque;consurf_A = 1;javascript "document.getElementById('jmb_AA').value='A [x]';"; endif;</script>
| |
| <text>A [ ]</text>
| |
| <name>jmb_AA</name>
| |
| </jmolButton>
| |
| </jmol>
| |
| <jmol>
| |
| <jmolButton>
| |
| <script>if (consurf_C!=0); select:C; spacefill off;color translucent -1; consurf_C = 0;javascript "document.getElementById('jmb_C').value='C [ ]'"; else; select:C; spacefill on; color opaque;consurf_C = 1;javascript "document.getElementById('jmb_C').value='C [x]';"; endif;</script>
| |
| <text>C [ ]</text>
| |
| <name>jmb_C</name>
| |
| </jmolButton>
| |
| </jmol>
| |
| <hr noshade>
| |
| <jmol>
| |
| <jmolButton>
| |
| <script>javascript "alert('Not implemented in mockup.')"</script>
| |
| <text>B [ ]</text>
| |
| <name>jmb_BB</name>
| |
| </jmolButton>
| |
| </jmol>
| |
| <jmol>
| |
| <jmolButton>
| |
| <script>javascript "alert('Not implemented in mockup.')"</script>
| |
| <text>D [ ]</text>
| |
| <name>jmb_D</name>
| |
| </jmolButton>
| |
| </jmol>
| |
| </td></tr>
| |
| | |
| <tr><td style="background-color:#bac9f7;color:#040d44;vertical-align:top;text-align:left;"> <b>Further Information:</b>
| |
| </td><td align="left" style="background-color:#ace3ac;border-top:2px solid #dddddd; border-right:2px solid #dddddd" width="230">
| |
| <font color="#2020e0">Explanation
| |
| <br><br>
| |
| Complete results at ConSurf</font>
| |
| </td></tr>
| |
| | |
| </table>
| |
| | |
| <!--
| |
| <br>
| |
| <b>After expanding, it could look like this (using green links):</b>
| |
| <table class="collapsible collapsed" border="0" cellspacing="0" width="330">
| |
| <tr>
| |
| <td align="left" colspan="2" bgcolor="#bac9f7">
| |
| <font color="#2020e0"><b>Evolutionary Conservation:</b></font>
| |
|
| |
|
| |
|
| |
| [<font color="#1010ff">hide</font>]
| |
| </td></tr>
| |
| <tr><td colspan="2" style="background-color:#bac9f7;color:#040d44;vertical-align:top;text-align:left;"></td></tr>
| |
| <tr><td colspan='2' style="background-color:#bac9f7;">
| |
| [[Image:Consurf_key_small.gif|center]]
| |
| </td></tr>
| |
| | |
| <tr><td style="background-color:#bac9f7;color:#040d44;vertical-align:top;text-align:left;">
| |
| </td><td align="left" style="background-color:#ace3ac;border-top:2px solid #dddddd; border-right:2px solid #dddddd" width="230">
| |
| <font color="#009000"><b>Hide all conservation colors.</b></font>
| |
| </td></tr><tr><td style="background-color:#bac9f7;color:#040d44;vertical-align:top;text-align:left;">
| |
| <b>Click Chain(s) to Show Conservation:</b>
| |
| </td><td align="left" style="background-color:#ace3ac;border-top:2px solid #dddddd; border-right:2px solid #dddddd" width="230"> Rows = identical sequences:<br>
| |
| <font color="#009000"><b>A C<br>B D</b></font>
| |
| </td></tr>
| |
| | |
| <tr><td style="background-color:#bac9f7;color:#040d44;vertical-align:top;text-align:left;"> <b>Further Information:</b>
| |
| </td><td align="left" style="background-color:#ace3ac;border-top:2px solid #dddddd; border-right:2px solid #dddddd" width="230">
| |
| <font color="#2020e0">Explanation
| |
| <br><br>
| |
| Complete results at ConSurf</font>
| |
| </td></tr>
| |
| | |
| </table>
| |
| -->
| |
| | |
| ==Scripts==
| |
| When the <i>Evolutionary Conservation</i> block is expanded, a master script is run that colors and spacefills all chains.
| |
| <!--
| |
| Importantly, it also defines 10 groups of residues, to be colored as <i>insufficient data</i> (~con10), and grades 1-9 (conserved - variable, ~con1, ~con2, ..., ~con9). These terms greatly simplify the script needed when a checkbox is changed.
| |
| -->
| |
| | |
| The scripts below are designed to work both for single-model X-ray files, and for [[NMR Ensembles of Models]]. In the latter, the scripts show only model 1 for ConSurf scenes (frame 1.1).
| |
| | |
| ===Changing a Checkbox===
| |
| After a chain checkbox (in the expanded Evolutionary Conservation block) is changed, the currently checked chains are put into this script:
| |
| | |
| <tt><pre>select protein
| |
| spacefill off
| |
| select (:a,:c) # LIST OF CHECKED CHAINS
| |
| spacefill
| |
| </pre></tt>
| |
| | |
| The gray backbones for all chains are always rendered, but are hidden within spacefilled atoms, when a chain is spacefilled. Once set, the colors never change. Although the backbones are gray, the atoms are ConSurf-colored. All a checkbox needs to do is spacefill the appropriate set of chains. The colors remain.
| |
| | |
| ===Design Goals for ConSurf Scripts===
| |
| | |
| [http://consurfdb.tau.ac.il ConSurfDB] generates one script per chain. Proteopedia will generate, from these, a single consolidated script for each PDB entry. The initial view, shown automatically when the ''Evolutionary Conservation'' block is expanded, will be produced by the consolidated script, and will apply ConSurf colors to all chains concurrently. An example is the ''ConSurf color all 4 chains'' green linked scene above. The ConSurf team does not show such an all-chain view for hetero-oligomers because the conservation level colors are relative, and do not have the same quantitative conservation level meanings in sequence-different chains. Proteopedia will explain this, but will provide an all-chain view as the initial view. Individual chains can then be de-colored with the checkboxes.
| |
| | |
| In order to have to generate just a single ConSurf script per PDB file, that single consolidated script must serve two purposes. It must generate the desired initial view when the ''Evolutionary Conservation'' block is expanded, and it must serve the SAT Colors dialog, enabling the user to apply ConSurf colors to any selected protein moiety.
| |
| | |
| Note that (possibly) in contrast to the scripts at ConSurfDB, the defined Jmol variables ~con1, ~con2, ... ~con10 now each begin with a tilde (~). This is the recommended practice for such variables in Jmol, to avoid possible conflicts. Once these are defined, the scripts avoid re-defining them when called again, to save execution time.
| |
| | |
| ===Top Level ConSurf Script===
| |
| | |
| This is the script sent to Jmol when the ''Evolutionary Conservation'' block is expanded.
| |
| | |
| <tt><pre>
| |
| select protein
| |
| define ~consurf_to_do selected
| |
| consurf_initial_scene = true
| |
| script "/wiki/ConSurf/hh/2hhd_consurf.spt";
| |
| </pre></tt>
| |
| | |
| ===consurf_color_levels.spt===
| |
| | |
| This script is called by the [PDB code]_consurf.spt. The purpose of this script is to color all, or any subset, of protein atoms according to ConSurf.
| |
| | |
| This script is "constant": the same for all PDB entries.
| |
| | |
| A big advantage of this script is that it sets the ConSurf color RGB values. If any ever need to be changed, only this one script needs changing.
| |
| | |
| This script requires that the atom subset term <b>~consurf_to_color</b> be defined beforehand. It also requires that the consurf level terms ~con## have been defined beforehand.
| |
| | |
| <tt><pre>
| |
| # Any protein atoms not assigned a consurf level, e.g. short peptides not processed by consurf,
| |
| # will remain the following color. Example: chain P in 2VAA.
| |
| select ~consurf_to_color
| |
| color yellow
| |
| | |
| # Each consurf level is now colored with the standard consurf colors.
| |
| select ~consurf_to_color and ~con10
| |
| color [255,255,150]
| |
| select ~consurf_to_color and ~con9
| |
| color [160,37,96]
| |
| select ~consurf_to_color and ~con8
| |
| color [240,125,171]
| |
| select ~consurf_to_color and ~con7
| |
| color [250,201,222]
| |
| select ~consurf_to_color and ~con6
| |
| color [252,237,244]
| |
| select ~consurf_to_color and ~con5
| |
| color [255,255,255]
| |
| select ~consurf_to_color and ~con4
| |
| color [234,255,255]
| |
| select ~consurf_to_color and ~con3
| |
| color [215,255,255]
| |
| select ~consurf_to_color and ~con2
| |
| color [140,255,255]
| |
| select ~consurf_to_color and ~con1
| |
| color [16,200,209]
| |
| </pre></tt>
| |
| | |
| ===consurf_prescript.spt===
| |
| This script is constant. That is, it is the same for all PDB files. It is required by [PDB code]_consurf.spt.
| |
| | |
| <tt><pre>
| |
| if (consurf_initial_scene)
| |
| | |
| # Hide molecule
| |
| script "/wiki/scripts/allRenderingsOff.spt";
| |
| | |
| # Render ligands
| |
| select hetero and not water
| |
| spacefill 0.5
| |
| wireframe 0.3
| |
| color cpk
| |
| dots
| |
| | |
| endif
| |
| </pre></tt>
| |
| | |
| ===consurf_postscript.spt===
| |
| This script is constant. That is, it is the same for all PDB files. It is required by [PDB code]_consurf.spt.
| |
| | |
| <tt><pre>
| |
| if (consurf_initial_scene)
| |
| | |
| # Spacefill all protein.
| |
| select protein
| |
| define ~consurf_to_color selected # color all protein
| |
| spacefill
| |
| | |
| # Give all protein a carbon-colored backbone.
| |
| backbone 0.4
| |
| color backbone [xc8c8c8]
| |
| | |
| # Show nucleic as phosphorus-colored cartoon.
| |
| select nucleic
| |
| cartoon
| |
| color cpk
| |
| | |
| endif
| |
| | |
| # Unconditionally color the ~consurf_to_color atoms.
| |
| script "/wiki/scripts/consurf_color_levels.spt";
| |
| | |
| </pre></tt>
| |
| | |
| ===2hhd_consurf.spt===
| |
| | |
| # This script defines ~con1, ~con2, ... ~con10, the atoms in each consurf level, unless they have already been defined in a previous execution of this script (see <b>consurf_levels_defined</b>). The amino acids per color grade are combined into each ~con## term for all chains as shown in the example script below. These terms, ~con##, are used in consurf_color_levels.spt.
| |
| # This script applies ConSurf colors to the protein atoms included in <b>~consurf_to_color</b> (which must therefore be defined before calling this script).
| |
| # This script produces the ''Evolutionary Conservation'' initial scene only if <b>consurf_initial_scene</b> is true. Therefore, <b>consurf_initial_scene</b> must be set before calling this script.
| |
| # Wherever possible, this script calls other scripts to separate commands that are not PDB-ID specific, so they can be maintained separately.
| |
| | |
| <tt><pre>
| |
| script "/wiki/scripts/consurf_prescript.spt";
| |
| | |
| # If consurf_levels_defined is undefined, it is false.
| |
| if (!consurf_levels_defined)
| |
| define ~con10 none
| |
| select PHE71, PHE85, PHE118
| |
| select selected and :B
| |
| select selected or ~con10
| |
| define ~con10 selected
| |
| select PHE71, PHE85, PHE118
| |
| select selected and :D
| |
| select selected or ~con10
| |
| define ~con10 selected
| |
| | |
| define ~con9 none
| |
| select LYS7, LYS16, GLU27, ARG31, PHE33, PRO37, THR39, LYS40, THR41, PHE43
| |
| select selected or SER52, HIS58, GLY59, LYS61, VAL62, ALA65, ALA69, LEU83, SER84
| |
| select selected or HIS87, ALA88, LEU91, ARG92, VAL93, ASP94, PRO95, ASN97, PHE98
| |
| select selected or LEU101, HIS122, SER124, ASP126, LYS127, VAL132, LEU136
| |
| select selected or LYS139, TYR140, ARG141
| |
| select selected and :A
| |
| select selected or ~con9
| |
| define ~con9 selected
| |
| select VAL1, GLU7, LYS8, TRP15, GLY24, ARG30, LEU32, VAL34, TYR35, PRO36, TRP37
| |
| select selected or THR38, ARG40, PHE42, PHE45, GLY46, SER49, ALA53, ASN57, VAL60
| |
| select selected or ALA62, HIS63, GLY64, LYS66, VAL67, ASP79, LEU81, LYS82, LEU88
| |
| select selected or SER89, GLU90, HIS92, LEU96, VAL98, PRO100, ASN102, PHE103
| |
| select selected or LEU106, PHE122, GLN127, LYS132, VAL137, ALA140, TYR145
| |
| select selected or HIS146
| |
| select selected and :B
| |
| select selected or ~con9
| |
| define ~con9 selected
| |
| select LYS7, LYS16, GLU27, ARG31, PHE33, PRO37, THR39, LYS40, THR41, PHE43
| |
| select selected or SER52, HIS58, GLY59, LYS61, VAL62, ALA65, ALA69, LEU83, SER84
| |
| select selected or HIS87, ALA88, LEU91, ARG92, VAL93, ASP94, PRO95, ASN97, PHE98
| |
| select selected or LEU101, HIS122, SER124, ASP126, LYS127, VAL132, LEU136
| |
| select selected or LYS139, TYR140, ARG141
| |
| select selected and :C
| |
| select selected or ~con9
| |
| define ~con9 selected
| |
| select VAL1, GLU7, LYS8, TRP15, GLY24, ARG30, LEU32, VAL34, TYR35, PRO36, TRP37
| |
| select selected or THR38, ARG40, PHE42, PHE45, GLY46, SER49, ALA53, ASN57, VAL60
| |
| select selected or ALA62, HIS63, GLY64, LYS66, VAL67, ASP79, LEU81, LYS82, LEU88
| |
| select selected or SER89, GLU90, HIS92, LEU96, VAL98, PRO100, ASN102, PHE103
| |
| select selected or LEU106, PHE122, GLN127, LYS132, VAL137, ALA140, TYR145
| |
| select selected or HIS146
| |
| select selected and :D
| |
| select selected or ~con9
| |
| define ~con9 selected
| |
| | |
| define ~con8 none
| |
| select VAL1, LEU2, SER3, ASP6, GLY25, LEU29, TYR42, HIS45, PHE46, ASP47, GLY51
| |
| select selected or GLN54, ASP74, ASP85, LEU86, VAL96, LYS99, HIS112, THR118
| |
| select selected or PRO119, ALA123, PHE128, VAL135
| |
| select selected and :A
| |
| select selected or ~con8
| |
| define ~con8 selected
| |
| select VAL18, LEU28, GLN39, PHE41, ASP47, LEU48, LEU91, CYS93, ASP94, HIS97
| |
| select selected or ASP99, GLU101, LEU105, GLY107, ASN108, ALA115, ALA129, ALA138
| |
| select selected or LEU141
| |
| select selected and :B
| |
| select selected or ~con8
| |
| define ~con8 selected
| |
| select VAL1, LEU2, SER3, ASP6, GLY25, LEU29, TYR42, HIS45, PHE46, ASP47, GLY51
| |
| select selected or GLN54, ASP74, ASP85, LEU86, VAL96, LYS99, HIS112, THR118
| |
| select selected or PRO119, ALA123, PHE128, VAL135
| |
| select selected and :C
| |
| select selected or ~con8
| |
| define ~con8 selected
| |
| select VAL18, LEU28, GLN39, PHE41, ASP47, LEU48, LEU91, CYS93, ASP94, HIS97
| |
| select selected or ASP99, GLU101, LEU105, GLY107, ASN108, ALA115, ALA129, ALA138
| |
| select selected or LEU141
| |
| select selected and :D
| |
| select selected or ~con8
| |
| define ~con8 selected
| |
| | |
| define ~con7 none
| |
| select MET32, LEU66, ASP75, ALA79, LEU80, HIS103, VAL107, THR108, ALA110, PHE117
| |
| select selected or THR137, SER138
| |
| select selected and :A
| |
| select selected or ~con7
| |
| define ~con7 selected
| |
| select VAL11, LYS17, GLU26, ALA27, GLY29, LEU31, THR84, LYS95, GLN131, VAL134
| |
| select selected and :B
| |
| select selected or ~con7
| |
| define ~con7 selected
| |
| select MET32, LEU66, ASP75, ALA79, LEU80, HIS103, VAL107, THR108, ALA110, PHE117
| |
| select selected or THR137, SER138
| |
| select selected and :C
| |
| select selected or ~con7
| |
| define ~con7 selected
| |
| select VAL11, LYS17, GLU26, ALA27, GLY29, LEU31, THR84, LYS95, GLN131, VAL134
| |
| select selected and :D
| |
| select selected or ~con7
| |
| define ~con7 selected
| |
| | |
| define ~con6 none
| |
| select TRP14, ALA28, PRO44, LYS60, HIS72, SER81, LYS90, SER102, CYS104, SER133
| |
| select selected and :A
| |
| select selected or ~con6
| |
| define ~con6 selected
| |
| select HIS2, LEU3, VAL33, ALA70, GLY74, HIS77, ALA86, VAL113, LEU114, THR123
| |
| select selected or PRO124, LYS144
| |
| select selected and :B
| |
| select selected or ~con6
| |
| define ~con6 selected
| |
| select TRP14, ALA28, PRO44, LYS60, HIS72, SER81, LYS90, SER102, CYS104, SER133
| |
| select selected and :C
| |
| select selected or ~con6
| |
| define ~con6 selected
| |
| select HIS2, LEU3, VAL33, ALA70, GLY74, HIS77, ALA86, VAL113, LEU114, THR123
| |
| select selected or PRO124, LYS144
| |
| select selected and :D
| |
| select selected or ~con6
| |
| define ~con6 selected
| |
| | |
| define ~con5 none
| |
| select VAL17, ALA26, PHE36, LYS56, VAL70, LEU100, LEU106, VAL121
| |
| select selected and :A
| |
| select selected or ~con5
| |
| define ~con5 selected
| |
| select THR4, ASN19, LYS65, ASN80, VAL111, ALA128, VAL133, GLY136, HIS143
| |
| select selected and :B
| |
| select selected or ~con5
| |
| define ~con5 selected
| |
| select VAL17, ALA26, PHE36, LYS56, VAL70, LEU100, LEU106, VAL121
| |
| select selected and :C
| |
| select selected or ~con5
| |
| define ~con5 selected
| |
| select THR4, ASN19, LYS65, ASN80, VAL111, ALA128, VAL133, GLY136, HIS143
| |
| select selected and :D
| |
| select selected or ~con5
| |
| define ~con5 selected
| |
| | |
| define ~con4 none
| |
| select HIS20, ALA21, LEU48, SER49, MET76, PRO77, LEU109, ALA120
| |
| select selected and :A
| |
| select selected or ~con4
| |
| define ~con4 selected
| |
| select GLU6, THR50, VAL54, LYS59, LEU68, SER72, HIS117
| |
| select selected and :B
| |
| select selected or ~con4
| |
| define ~con4 selected
| |
| select HIS20, ALA21, LEU48, SER49, MET76, PRO77, LEU109, ALA120
| |
| select selected and :C
| |
| select selected or ~con4
| |
| define ~con4 selected
| |
| select GLU6, THR50, VAL54, LYS59, LEU68, SER72, HIS117
| |
| select selected and :D
| |
| select selected or ~con4
| |
| define ~con4 selected
| |
| | |
| define ~con3 none
| |
| select ASN9, VAL10, LYS11, SER35, THR38, HIS50, VAL55, HIS89, LEU125, ALA130
| |
| select selected or THR134
| |
| select selected and :A
| |
| select selected or ~con3
| |
| define ~con3 selected
| |
| select VAL20, MET55, LYS61, VAL109, ALA142
| |
| select selected and :B
| |
| select selected or ~con3
| |
| define ~con3 selected
| |
| select ASN9, VAL10, LYS11, SER35, THR38, HIS50, VAL55, HIS89, LEU125, ALA130
| |
| select selected or THR134
| |
| select selected and :C
| |
| select selected or ~con3
| |
| define ~con3 selected
| |
| select VAL20, MET55, LYS61, VAL109, ALA142
| |
| select selected and :D
| |
| select selected or ~con3
| |
| define ~con3 selected
| |
| | |
| define ~con2 none
| |
| select GLU30, ALA53, THR67, ALA71, ALA82, LEU105, PRO114, LEU129
| |
| select selected and :A
| |
| select selected or ~con2
| |
| define ~con2 selected
| |
| select GLY25, LEU75, ALA76, LYS120, GLU121
| |
| select selected and :B
| |
| select selected or ~con2
| |
| define ~con2 selected
| |
| select GLU30, ALA53, THR67, ALA71, ALA82, LEU105, PRO114, LEU129
| |
| select selected and :C
| |
| select selected or ~con2
| |
| define ~con2 selected
| |
| select GLY25, LEU75, ALA76, LYS120, GLU121
| |
| select selected and :D
| |
| select selected or ~con2
| |
| define ~con2 selected
| |
| | |
| define ~con1 none
| |
| select PRO4, ALA5, THR8, ALA12, ALA13, GLY15, GLY18, ALA19, GLY22, GLU23, TYR24
| |
| select selected or LEU34, GLY57, ALA63, ASP64, ASN68, VAL73, ASN78, ALA111
| |
| select selected or LEU113, ALA115, GLU116, SER131
| |
| select selected and :A
| |
| select selected or ~con1
| |
| define ~con1 selected
| |
| select PRO5, SER9, ALA10, THR12, ALA13, LEU14, GLY16, ASP21, GLU22, VAL23, GLU43
| |
| select selected or SER44, PRO51, ASP52, GLY56, PRO58, GLY69, ASP73, LEU78, GLY83
| |
| select selected or THR87, ARG104, LEU110, CYS112, HIS116, GLY119, PRO125, VAL126
| |
| select selected or TYR130, ALA135, ASN139
| |
| select selected and :B
| |
| select selected or ~con1
| |
| define ~con1 selected
| |
| select PRO4, ALA5, THR8, ALA12, ALA13, GLY15, GLY18, ALA19, GLY22, GLU23, TYR24
| |
| select selected or LEU34, GLY57, ALA63, ASP64, ASN68, VAL73, ASN78, ALA111
| |
| select selected or LEU113, ALA115, GLU116, SER131
| |
| select selected and :C
| |
| select selected or ~con1
| |
| define ~con1 selected
| |
| select PRO5, SER9, ALA10, THR12, ALA13, LEU14, GLY16, ASP21, GLU22, VAL23, GLU43
| |
| select selected or SER44, PRO51, ASP52, GLY56, PRO58, GLY69, ASP73, LEU78, GLY83
| |
| select selected or THR87, ARG104, LEU110, CYS112, HIS116, GLY119, PRO125, VAL126
| |
| select selected or TYR130, ALA135, ASN139
| |
| select selected and :D
| |
| select selected or ~con1
| |
| define ~con1 selected
| |
| | |
| consurf_levels_defined = true
| |
| | |
| endif # if (!consurf_levels_defined)
| |
| | |
| script "/wiki/scripts/consurf_postscript.spt";
| |
| | |
| </pre></tt>
| |
| | |
| ===SAT Color by Conservation Script===
| |
| | |
| It is proposed that the Color dialog in the SAT will include a new option to color by Evolutionary Conservation. Here is the script proposed to accomplish this.
| |
| | |
| The script below works regardless of whether the conservation levels (~con##) have been previously defined; that is, it works regardless of whether the ''Evolutionary Conservation'' block has previously been opened.
| |
| | |
| This script is not "constant". It must be generated per PDB code (see last line of script below).
| |
| | |
| <tt><pre>
| |
| # This script applies conservation colors to the previously selected (currently selected) atoms.
| |
| | |
| # In case the user selected some non-protein atoms:
| |
| select selected and protein
| |
| | |
| define ~consurf_to_color selected
| |
| | |
| consurf_initial_scene = false
| |
| | |
| script "/wiki/ConSurf/hh/2hhd_consurf.spt";
| |
| </pre></tt>
| |