Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLSDRDLRAEISSGRLGIDPFDDT-LVQPSSIDVRLDCLFRVFNNTRYTHIDPAKQQDELTSLVQPV--------DGEPFVLHPGEFVLGSTLELFTLPDNLAGRLEGKSSLGRLGLLTHSTAGFIDPGFSGHITLELSNVANLPITLWPGMKIGQLCMLRLTSPSEHPYGSSRAGSKYQGQRGPTPSRSYQNFIRST
1XS1 Chain:A ((1-189))
MRLCDRDIEAWLDEGRLSINPRPPVERINGATVDVRLGNKFRTFRGHTAAFIDLSGPKDEVSAALDRVMSDEIVLDEGEAFYLHPGELALAVTLESVTLPADLVGWLDGRSSLARLGLMVHVTAHRIDPGWSGCIVLEFYNSGKLPLALRPGMLIGALSFEPLSGPAVRPY-NRREDAKYRNQQGAVASR---------
General information:
TITO was launched using:
RESULT:
Template:
1XS1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76421 for 1293 contacts (-59.1/contact) +
2D Compatibility (PS) -19346 + (NN) -10459 + (LL) 392
1D Compatibility (HY) -12000 + (ID) 4100
Total energy: -121934.0 ( -94.30 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_1XS1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XS1-query.scw
PDB file :
Tito_Scwrl_1XS1.pdb
: