Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHDEREGYLEILSRITTEEEFFSLVLEICGNYGFEFFSFGARAPFPLTAPKYHFLSNYPGEWKSRYISEDYTSIDPIVRHGLLEYTPLIWNGEDFQENRFFWEEALHHGIRHGWSIPVRGKYGLISMLSLVRSSESIAATEILEKESFLLWITSMLQATFGDLLAPRIVPESNVRLTARETEMLKWTAVGKTYGEIGLILSIDQRTVKFHIVNAMRKLNSSNKAEATMKAYAIGLLN
3SZT Chain:B ((6-237))
-----EGYLEILSRITTEEEFFSLVLEICGNYGFEFFSFGARAPFPLTAPKYHFLSNYPGEWKSRYISEDYTSIDPIVRHGLLEYTPLIW--------RFFWEEALHHGIRHGWSIPVRGKYGLISMLSLVRSS-SIAATEILEKESFLLWITSMLQATFGDLLAPRIVPESNVRLTARETEMLKWTAVGKTYGEIGLILSIDQRTVKFHIVNAMRKLNSSNKAEATMKAYAIGLLN
General information:
TITO was launched using:
RESULT:
Template:
3SZT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146690 for 1694 contacts (-86.6/contact) +
2D Compatibility (PS) -23760 + (NN) -11426 + (LL) 536
1D Compatibility (HY) -35600 + (ID) 11150
Total energy: -228090.0 ( -134.65 by residue)
QMean score : 0.401
(partial model without unconserved sides chains):
PDB file :
Tito_3SZT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SZT-query.scw
PDB file :
Tito_Scwrl_3SZT.pdb
: