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Re: Problems with modeling chimera



Hello Kim,

at first:

http://salilab.org/cgi-bin/lwgate/lwgate/MODELLER_USAGE/archives/modeller_usage.archive.99/date/article-47.html

but it is an old message about and an older version. If you use mod6v2
it will be checked  automatically: even if your templates are not
overlapping the modeling will be done , but I would like to call your
attention on our remark in the manual:

"If no additional information is available about the relative
orientation 
of the two domains the resulting model will probably have an incorrect 
relative orientation of the two domains when the overlap between
A and B is non-existing or short. To obtain satisfactory
relative orientation of modeled domains in such cases, orient
the two template structures appropriately before the modeling.
"
best regards
Andras

"Andersen, Kim Vilbour (KVA)" wrote:
> 
> Hi
> 
> I try to model a chimeric protein based on FAQ 4
> 
> To test the method I took a PDB file and cut it in two parts and then try to model the complete molecule again based on an FAQ 4
> 
> I get the error:
> 
> fit2xyz_E> number of equivalent positions < 3:     0
> recover__> ERROR_STATUS >=  STOP_ON_ERROR:   1  1
> 
> As I understand it there are not enough overlapping residues in the alignment. But that is exactly the point, I try to model a chimeric protein based on the independent fragments exactly as in FAQ 4.
> 
> What is wrong?
> 
> Does the templates have to be overlapping, and is FAQ 4 wrong?
> 
> All files are attached
> 
> Thanks in advance
> 
> Kim
> 
> ------------------------------------------------------------------------
> Kim Vilbour Andersen, PhD
> Senior Scientist
> Maxygen
> Agern Allé 1
> DK-2970 Hørsholm
> Denmark
>  <<model.top.gz>>  <<align.pir.gz>>  <<1GR3_A2.pdb.gz>>  <<1GR3_A1.pdb.gz>>
> Tel: +45 7020 5550
> Direct: +45 4517 8473
> Mobile: +45 2637 3727
> Fax: +45 7020 5530
> 
> E-mail: 
> http://www.maxygen.dk/
> ------------------------------------------------------------------------
> 
>   ------------------------------------------------------------------------
>                       Name: model.top.gz
>    model.top.gz       Type: application/x-gzip
>                   Encoding: base64
>                Description: model.top.gz
> 
>                       Name: align.pir.gz
>    align.pir.gz       Type: application/x-gzip
>                   Encoding: base64
>                Description: align.pir.gz
> 
>                         Name: 1GR3_A2.pdb.gz
>    1GR3_A2.pdb.gz       Type: chemical/x-pdb
>                     Encoding: base64
>                  Description: 1GR3_A2.pdb.gz
> 
>                         Name: 1GR3_A1.pdb.gz
>    1GR3_A1.pdb.gz       Type: chemical/x-pdb
>                     Encoding: base64
>                  Description: 1GR3_A1.pdb.gz

-- 
    ,
Andras Fiser, PhD            # phone: (212) 327 7216
The Rockefeller University   # fax:   (212) 327 7540 
Box 270, 1230 York Avenue    # e-mail:
New York, NY 10021-6399, USA # http://salilab.org/~andras