Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNMAEIKKDVAVIMGSESDYSTMIHAVDMLTELGILHDVFIISAHRTPERLFNFAQSAQEKGFRVIIAGAGGAAHLPGMVASLTCLPVIGVPVHSKQLNGLDSLLSIVQMPKGVPVATMSIGESGAYNAAIAAASVLSISNSEIADRLKKWRKEQTEVVKEKPASQ
4AY3 Chain:C ((21-176))
------MKSLVGVIMGSTSDWETMKYACDILDELNIPYEKKVVSAHRTPDYMFEYAETARERGLKVIIAGAGGAAHLPGMVAAKTNLPVIGVPVQSKALNGLDSLLSIVQMPGGVPVATVAIGKAGSTNAGLLAAQILGSFHDDIHDALELRREAIEKDVREGS---
General information:
TITO was launched using:
RESULT:
Template:
4AY3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152362 for 1311 contacts (-116.2/contact) +
2D Compatibility (PS) -17044 + (NN) -5467 + (LL) 828
1D Compatibility (HY) -14400 + (ID) 4500
Total energy: -192945.0 ( -147.17 by residue)
QMean score : 0.707
(partial model without unconserved sides chains):
PDB file :
Tito_4AY3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AY3-query.scw
PDB file :
Tito_Scwrl_4AY3.pdb
: