Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRKVRRLTLAVSALVALFPAVAG-CSDSGDNKPGATIPSTPANAEGRHGPFFPQCGGVSDQTVTELTRVTGLVNTAKNSVGCQWLAGGGILGPHFSFSWYRGSPIGRERKTEELSRASVEDINIDGHSGFIAIGNEPSLGDSLCEVGIQFSDDFIEWSVSFSQKPFPLPCDIAKELTRQSIANSK
1WIJ Chain:A ((162-288))
SQFVLQDLQ--DATLGSLLSSLMQHCDPPQRKYPLEKGTPPPWWPTGNE----------------------------------EWWVKLG--LPKSQSPPYRKPHDLKKMWKVGVLTAVINHMLPDIAKIKRHVRQSKCLQDKMTA------KESAIWLAVLNQEE---------SLIQQ------
General information:
TITO was launched using:
RESULT:
Template:
1WIJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) 10361 for 810 contacts (12.8/contact) +
2D Compatibility (PS) -13663 + (NN) -8405 + (LL) 3012
1D Compatibility (HY) -1600 + (ID) 1000
Total energy: -11295.0 ( -13.94 by residue)
QMean score : 0.081
(partial model without unconserved sides chains):
PDB file :
Tito_1WIJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WIJ-query.scw
PDB file :
Tito_Scwrl_1WIJ.pdb
: