Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARCDVLVSADWAESNLHAPKVVFVEVD-EDTSAYDRDHIAGAIKLDWRTDLQDPVKRDFVDAQQFSKLLSERGIANEDTVILYGGNNNWFAAYAYWYFKLYGHEKVKLLDGGRKKWELDGRPLSSDPVSRPVTSYTASPPDNTIRAFRDEVLAAINVKNLIDVRSPDEFSGKILAPAHLPQEQSQRPGHIPGAINVPWSRAANEDGTFKSDEELAKLYADAGLDNSKETIAYCRIGERSSHTWFVLRELLGHQNVKNYDGSWTEYGSLVGAPIELGS
3AAY Chain:A ((1-276))
MARCDVLVSADWAESNLHAPKVVFVEVDED-TSAYDRDHIAGAIKLDWRTDLQDPVKRDFVDAQQFSKLLSERGIANEDTVILYGGNNNWFAAYAYWYFKLYGHEKVKLLDGGRKKWELDGRPLSSDPVSRPVTSYTASPPDNTIRAFRDEVLAAINVKNLIDVRSPDEFSGKILA-----QEQSQRPGHIPGAINVPWSRAANEDGTFKSDEELAKLYADAGLDNSKETIAYCRIGERSSHTWFVLRELLGHQNVKNYDGSWTEYGSLVGAPIELG-
General information:
TITO was launched using:
RESULT:
Template:
3AAY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107694 for 2253 contacts (-47.8/contact) +
2D Compatibility (PS) -29287 + (NN) -17793 + (LL) -20
1D Compatibility (HY) -34400 + (ID) 13400
Total energy: -202594.0 ( -89.92 by residue)
QMean score : 0.463
(partial model without unconserved sides chains):
PDB file :
Tito_3AAY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AAY-query.scw
PDB file :
Tito_Scwrl_3AAY.pdb
: