Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARCDVLVSADWAESNLHAPKVVFVEVDEDTSAYDRDHIAGAIKLDWRTDLQDPVKRDFVDAQQFSKLLSERGIANEDTVILYGGNNNWFAAYAYWYFKLYGHEKVKLLDGGRKKWELDGRPLSSDPVSRPVTSYTASPPDNTIRAFRDEVLAAINVKNLIDVRSPDEFSGKILAPAHLPQEQSQRPGHIPGAINVPWSRAANEDGTFKSDEELAKLYADAGLDNSKETIAYCRIGERSSHTWFVLRELLGHQNVKNYDGSWTEYGSLVGAPIELGS
3AAX Chain:A ((4-277))
---CDVLVSADWAESNLHAPKVVFVEVDEDTSAYDRDHIAGAIKLDWRTDLQDPVKRDFVDAQQFSKLLSERGIANEDTVILYGGNNNWFAAYAYWYFKLYGHEKVKLLDGGRKKWELDGRPLSSDPVSRPVTSYTASPPDNTIRAFRDEVLAAINVKNLIDVRSPDEFSGKILAPAHL--EQSQRPGHIPGAINVPWSRAANEDGTFKSDEELAKLYADAGLDNSKETIAYCRIGERSSHTWFVLRELLGHQNVKNYDGSWTEYGSLVGAPIELGS
General information:
TITO was launched using:
RESULT:
Template:
3AAX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109266 for 2280 contacts (-47.9/contact) +
2D Compatibility (PS) -29600 + (NN) -17596 + (LL) 432
1D Compatibility (HY) -34400 + (ID) 13600
Total energy: -204030.0 ( -89.49 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_3AAX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AAX-query.scw
PDB file :
Tito_Scwrl_3AAX.pdb
: