Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMKRFSTAYLLLGILCSAAVFLIGAPSRALGAEVEHYEPLQVHVQLEKVYLDGDVSIEHKHEKVFSMDDFWAAYAGWTLVEQKKGYVLFRKQMDDISPLSKVNGYIGVSDNGVISTFHGRPEPASEPIQSFFQIDLERLESHMQKNLLKGIPFRTKAEFEDVIEHMKTYSG
2BW2 Chain:A ((1-140))------------------------------AEVEHYEPLQVHVQLEKVYLDGDVSIEHKHEKVFSMDDFWAAYAGWTLVEQKKGYVLFRKQMDDISPLSKVNGYIGVSDNGVISTFHGRPEPASEPIQSFFQIDLERLESHMQKNLLKGIPFRTKAEFEDVIEHMKTYSG


General information:
TITO was launched using:
RESULT:

Template: 2BW2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 587 -33128 -56.44 -236.63
target 2D structure prediction score : 0.61
Monomeric hydrophicity matching model chain A : 0.88

3D Compatibility (PKB) : -56.44
2D Compatibility (Sec. Struct. Predict.) : 0.61
1D Compatibility (Hydrophobicity) : 0.88
QMean score : 0.493

(partial model without unconserved sides chains):
PDB file : Tito_2BW2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2BW2-query.scw
PDB file : Tito_Scwrl_2BW2.pdb: