Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPRPITAVIHRQALQNNLAVVRKAMPNSKVFAVVKANAYGHGIERVYEAFKAADGFALLDLEEAKRIRALGWTGPILLLEGVFSPQDLFDCVQYQLSFTIHSEAQIEWVEQHPYPAQFDVFLKMNSGMSRLGFKPQHYVQAWERLNNLANVAKITHMM-HFSDADGDRFGQQGIDYQITAFEEIVKDLPGERSVSNSAAILRYQDQLKSDYVRSGIMLYGSSPDYPTHSIADWGLQPTMSLRSEIISVQHLEPNESVGYGSNFVAEQPMTIGIVACGYADGYQRISPTGTPVLVDSVRTRTVGRVSMDMLAVDLTGIESAKVGSEVVLWGQSSTGVVLPIDDVAVSSGTVGYELMCAVTARVQFINQV 4WR3 Chain:C ((5-353)) -----TVVINRRALRHNLQRLRELAPASKMVAVVKANAYGHGLLETARTLPDADAFGVARLEEALRLRAGGITKPVLLLEGFFDARDLPTISAQHFHTAVHNEEQLAALEEASLDEPVTVWMKLDTGMHRLGVRPEQAEAFYHRLTQCKNVRQPVNIVSHFARADEPKCG--ATEKQLAIFNTFCEGKPGQRSIAASGGILLWP-QSHFDWVRPGIILYGVSPLEDRSTGADFGCQPVMSLTSSLIAVREHKAGEPVGYGGTWVSERDTRLGVVAMGFGDGYPRAAPSGTPVLVNGREVPIVGRVAMDMICVDLGPQAQDKAGDPVILWGEG-----LPVERIAEMTKVSAYELITRLTSRV------

General information: TITO was launched using: RESULT: Template: 4WR3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2014 -142412 -70.71 -409.23 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.82 3D Compatibility (PKB) : -70.71 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_4WR3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WR3-query.scw PDB file : Tito_Scwrl_4WR3.pdb: