Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARCDVLVSADWAESNLHAPKVVFVEVDEDTSAYDRDHIAGAIKLDWRTDLQDPVKRDFVDAQQFSKLLSERGIANEDTVILYGGNNNWFAAYAYWYFKLYGHEKVKLLDGGRKKWELDGRPLSSDPVSRPVTSYTASPPDNTIRAFRDEVLAAINVKNLIDVRSPDEFSGKILAPAHLPQEQSQRPGHIPGAINVPWSRAANEDGTFKSDEELAKLYADAGLDNSKETIAYCRIGERSSHTWFVLRELLGHQNVKNYDGSWTEYGSLVGAPIELGS
3HWI Chain:A ((3-277))
--RCDVLVSADWAESNLHAPKVVFVEVDEDTSAYDRDHIAGAIKLDWRTDLQDPVKRDFVDAQQFSKLLSERGIANEDTVILYGGNNNWFAAYAYWYFKLYGHEKVKLLDGGRKKWELDGRPLSSDPVSRPVTSYTASPPDNTIRAFRDEVLAAINVKNLIDVRSPDEFSGKILAP--------QRPGHIPGAINVPWSRAANEDGTFKSDEELAKLYADAGLDNSKETIAYCRIGERSSHTWFVLRELLGHQNVKNYDGSWTEYGSLVGAPIELGS
General information:
TITO was launched using:
RESULT:
Template:
3HWI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103536 for 2233 contacts (-46.4/contact) +
2D Compatibility (PS) -29413 + (NN) -19567 + (LL) 892
1D Compatibility (HY) -34000 + (ID) 13350
Total energy: -198974.0 ( -89.11 by residue)
QMean score : 0.497
(partial model without unconserved sides chains):
PDB file :
Tito_3HWI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HWI-query.scw
PDB file :
Tito_Scwrl_3HWI.pdb
: