Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPRPITAVIHRQALQNNLAVVRKAMPNSKVFAVVKANAYGHGIERVYEAFKAADGFALLDLEEAKRIRALGWTGPILLLEGVFSPQDLFDCVQYQLSFTIHSEAQIEWVEQHPYPAQFDVFLKMNSGMSRLGFKPQHYVQAWERLNNLANVAKITHMM-HFSDADGDRFGQQGIDYQITAFEEIVKDLPGERSVSNSAAILRYQDQLKSDYVRSGIMLYGSSPDYPTHSIADWGLQPTMSLRSEIISVQHLEPNESVGYGSNFVAEQPMTIGIVACGYADGYQRISPTGTPVLVDSVRTRTVGRVSMDMLAVDLTGIESAKVGSEVVLWGQSSTGVVLPIDDVAVSSGTVGYELMCAVTARVQFINQV 4XBJ Chain:B ((5-353)) -----TVVINRRALRHNLQRLRELAPASKMVAVVKANAYGHGLLETARTLPDADAFGVARLEEALRLRAGGITKPVLLLEGFFDARDLPTISAQHFHTAVHNEEQLAALEEASLDEPVTVWMKLDTGMHRLGVRPEQAEAFYHRLTQCKNVRQPVNIVSHFARADEPKCG--ATEKQLAIFNTFCEGKPGQRSIAASGGILLWP-QSHFDWVRPGIILYGVSPLEDRSTGADFGCQPVMSLTSSLIAVREHKAGEPVGYGGTWVSERDTRLGVVAMGFGDGYPRAAPSGTPVLVNGREVPIVGRVAMDMICVDLGPQAQDKAGDPVILWGEG-----LPVERIAEMTKVSAYELITRLTSRV------

General information: TITO was launched using: RESULT: Template: 4XBJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2024 -138430 -68.39 -397.79 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -68.39 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_4XBJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XBJ-query.scw PDB file : Tito_Scwrl_4XBJ.pdb: