Hello Modellers,
I would like to restrain a loop that is repeated throughout my TARGET to have the same conformation as the first loop conformation where the alignment to the TEMPLATE is good. What is the easiest way to go about this? DEFINE_SYMMETRY?
Any help would be much appreciated,
Troy Wymore Biomedical Initiative Group Pittsburgh Supercomputing Center
I would suggest to play around with the alignment: misalign loop segments that you do not want to consider and use only the loop segment that you like, repeteadly.(see below). In fact you need at least a residue overlap on each side of the loops for proper orientation, unlike the simplified example shows below.
Andras
>P1;GoodL structureX;full.pdb:9::13::::: -------------------BBBB------------------------------* >P1;GoodL structureX;full.pdb:9::13::::: -----------------------------------BBBB--------------* >P1;GoodL structureX;full.pdb:1::45::::: AAAAAAAABBBBAAAAAAA----bbbbAAAAAAAA----bbbbAAAAAAAAAA* >P1;target sequence:target:::::::: CCCCCCCCCCCCCCCCCCCCCCC----CCCCCCCCCCCC----CCCCCCCCCC*
Troy Wymore wrote:
> Hello Modellers, > > I would like to restrain a loop that is repeated throughout my TARGET to > have the same conformation as the first loop conformation where the > alignment to the TEMPLATE is good. What is the easiest way to go about > this? DEFINE_SYMMETRY? > > Any help would be much appreciated, > > Troy Wymore > Biomedical Initiative Group > Pittsburgh Supercomputing Center
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fisera
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Troy Wymore