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



Input alignment information:
Query sequenceMAENQEVYDVTIIGGGPIGLFTAFYCGMRELKTKVIEFLPKLGGKVSLFFPEKIIRDIGGIPGIAGKQLIEQLKEQAATFDPDIVLNQRVTGFERLDDGTIVLTGSEGKKHYTRTVILACGMGTLEVNEFDS-EDAARYAGKNLHYGVEKLDAFKGKRVVISGGGDTAVDWANELEPIAASVTVVHRREEFGGMESSVTKMKQSSVRVLTPYRLE-QLNGDEEGIKSVTVCHTES--GQRKDIEIDELIINHGFKIDLGPMMEWGLEIEEGRVKADRHMRTNLPGVFVAGDAAFYESKLRLIAGGFTEGPTAVNSAKAYLDPKAENMAMYSTHHKKLVHK
3AB1 Chain:A ((13-330))-----DMRDLTIIGGGPTGIFAAFQCGMNNISCRIIESMPQLGGQLAALYPEKHIYDVAGFPEVPAIDLVESLWAQAERYNPDVVLNETVTKYTKLDDGTFETRTNTGNVYRSRAVLIAAGLGAFEPRKLPQLGNIDHLTGSSVYYAVKSVEDFKGKRVVIVGGGDSALDWTVGLIKNAASVTLVHRGHEFQGHGKTAHEVERARANGTIDVYLETEVASIEESNGVLTRVHLRSSDGSKWTVEADRLLILIGFKSNLGPLARWDLELYENALVVDSHMKTSVDGLYAAGDIAYYPGKLKIIQTGLSEATMAVRHSLSYIKPG-----------------


General information:
TITO was launched using:
RESULT:

Template: 3AB1.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 : 1738 -189795 -109.20 -604.44
target 2D structure prediction score : 0.47
Monomeric hydrophicity matching model chain A : 0.80

3D Compatibility (PKB) : -109.20
2D Compatibility (Sec. Struct. Predict.) : 0.47
1D Compatibility (Hydrophobicity) : 0.80
QMean score : 0.536

(partial model without unconserved sides chains):
PDB file : Tito_3AB1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3AB1-query.scw
PDB file : Tito_Scwrl_3AB1.pdb: