Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDYVITTELPSAEEFVQLRVDAGLSFRAIEASRKALLKSVYFVGLRSKENGKLIGMGRLVGDGIMFIVSD------IAVFPSFQGKGFGKVIMTHIKDYIEANLDKTACVTLLADVPAH-----GLYKQFGFRESAPASIGMIYQVGN
2CNT Chain:B ((42-123))
-------------------------------------------------NLKLTADDRMAAFAITQVVLDEATLFNIAVDPDFQRRGLGRMLLEHLIDELETR----GVVTLWLEVRASNAAAIALYESLGFNEA-------------
General information:
TITO was launched using:
RESULT:
Template:
2CNT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -42105 for 405 contacts (-104.0/contact) +
2D Compatibility (PS) -7607 + (NN) -968 + (LL) 5424
1D Compatibility (HY) -6400 + (ID) 1400
Total energy: -53056.0 ( -131.00 by residue)
QMean score : 0.429
(partial model without unconserved sides chains):
PDB file :
Tito_2CNT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CNT-query.scw
PDB file :
Tito_Scwrl_2CNT.pdb
: