Difference between revisions of "Homology modeling fallback data"

From "A B C"
Jump to navigation Jump to search
m
Line 34: Line 34:
 
Explanation of the output is found [http://swissmodel.expasy.org/workspace/index.php?func=special_help '''in the SwissModel Help page'''].
 
Explanation of the output is found [http://swissmodel.expasy.org/workspace/index.php?func=special_help '''in the SwissModel Help page'''].
  
[[Image:Modelled_range.png|frame|none|Graphical comparison of template and target sequence to emphasize which regions have been modelled.]]
+
[[Image:ModelledRange.png|frame|none|Graphical comparison of template and target sequence to emphasize which regions have been modelled.]]
  
  
[[Image:Model_icon.png|frame|none|Icon of the model]]
+
 
 +
[[Image:QMeanScore.png|frame|none|Model QMean score vs. expected QMean scores of protein structures, as a function of domain size.]]
 +
 
 +
 
 +
 
 +
[[Image:ColoringByScore.jpg|frame|none|Cartoon view of the model, colored by ANOLEA scores]]
 +
 
  
  
 
The target-template alignment:
 
The target-template alignment:
  
  TARGET    1                             HVMRRRE DNWINATHIL KAAGFDKPAR
+
  TARGET    1                       IK -GVSVMRRRR DSWLNATQIL KVADFDKPQR
  1mb1_     3    nqiysarysg vdvyefihst g--simkrkk ddwvnathil kaanfakakr  
+
  1mb1A     3    nqiysarysg vdvyef--ih stgsimkrkk ddwvnathil kaanfakakr
                                                                     
+
                                                                     
 
  TARGET                                              ssshhhh hh    hhhh
 
  TARGET                                              ssshhhh hh    hhhh
  1mb1_           sssssss  ssssssss   s  ssssss     ssshhhh hh    hhhh
+
  1mb1A           sssssss  ssssss  ss   sssssss     ssshhhh hh    hhhh
 
 
   
 
   
TARGET    28    TRILERDVQK DVHEKIQGGY GKYQGTWIPL EQGRALAQRN NIYDRLRPIF
 
1mb1_    51    trilekevlk ethekvqggf gkyqgtwvpl niakqlaekf svydqlkplf
 
                                                                     
 
TARGET          hhhhhhhhh    sss        ssss h hhhhhhhhh    hh  hhh
 
1mb1_          hhhhh        sss        ssss h hhhhhhhhh    hh  hh
 
 
   
 
   
 +
TARGET    32    TRVLERQVQI GAHEKVQGGY GKYQGTWVPF QRGVDLATK  ----------
 +
1mb1A    51    trilekevlk ethekvqggf gkyqgtwvpl niakqlaekf svydqlkplf
 +
                                                                     
 +
TARGET          hhhhhhhhh    sss        ssss h hhhhhhhhh           
 +
1mb1A          hhhhh        sss        ssss h hhhhhhhhh    hh  hh
 
   
 
   
TARGET                                                               
 
1mb1_          -                                                   
 
                                                                     
 
 
[[Image:Anolea_output.png|frame|none|'''Anolea''' non-local-environment graphical output]]
 
 
 
 
[[Image:Gromos_output.png|frame|none|'''Gromos''' forcefield graphical output]]
 
 
 
  
[[Image:Verify_3D_output.png|frame|none|'''Verify3D''' 3D-profile output]]
+
[[Image:ModelQualityEstimation.png|frame|none|Local quality estimation: '''ANOLEA''' and QMean''' scores as graphical output]]
  
 
==Model coordinates==
 
==Model coordinates==
  
 
* [http://biochemistry.utoronto.ca/undergraduates/courses/BCH441H/2007/MBP1_CHAGL.txt MBP1_CHAGL.pdb]
 
* [http://biochemistry.utoronto.ca/undergraduates/courses/BCH441H/2007/MBP1_CHAGL.txt MBP1_CHAGL.pdb]

Revision as of 03:19, 30 November 2011

 

Please remember: if you use information from this page as a fallback for technical problems with the assignment, you must document this in your submission. State what you tried, what didn't work and only then use the data from here.

   


Target sequence

This is just one of the reference species' sequences - I chose Mbp1_SCHPO because it is the most distantly related to saccharomyces cerevisiae.

>MBP1_SCHPO NP_593032 23..96
IKGVSVMRRRRDSWLNATQILKVADFDKPQRTRVLERQVQIGAHEKVQGGYGKYQGTWVPFQRGVDLATK
YKV


FASTA formatted target-template alignment

This uses the 1MB1 PDB file as template, the sequence was extracted from coordinates using the WhatIf server.

>1MB1_A 3..100
NQIYSARYSGVDVYEFIHSTGSIMKRKKDDWVNATHILKAANFAKAKRTRILEKEVLKET
HEKVQGGFGKYQGTWVPLNIAKQLAEKFSVYDQLKPLF                    
>MBP1_SCHPO NP_593032 23..96
----------------IKGV-SVMRRRRDSWLNATQILKVADFDKPQRTRVLERQVQIGA
HEKVQGGYGKYQGTWVPFQRGVDLATK-----------


SwissModel response

Explanation of the output is found in the SwissModel Help page.

Graphical comparison of template and target sequence to emphasize which regions have been modelled.


Model QMean score vs. expected QMean scores of protein structures, as a function of domain size.


Cartoon view of the model, colored by ANOLEA scores


The target-template alignment:

TARGET    1                        IK -GVSVMRRRR DSWLNATQIL KVADFDKPQR
1mb1A     3     nqiysarysg vdvyef--ih stgsimkrkk ddwvnathil kaanfakakr
                                                                     
TARGET                                              ssshhhh hh    hhhh
1mb1A            sssssss   ssssss  ss   sssssss     ssshhhh hh    hhhh


TARGET    32    TRVLERQVQI GAHEKVQGGY GKYQGTWVPF QRGVDLATK  ----------
1mb1A     51    trilekevlk ethekvqggf gkyqgtwvpl niakqlaekf svydqlkplf
                                                                     
TARGET          hhhhhhhhh     sss         ssss h hhhhhhhhh            
1mb1A           hhhhh         sss         ssss h hhhhhhhhh    hh   hh 

Local quality estimation: ANOLEA and QMean scores as graphical output

Model coordinates