Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNFVIDQNLKELTEHRTVELPVACYKTTINQNINGYIPLHWHDEIQFVLILKGIALFQINEEKIEVHEGDGLFINSGYLHMAEEKEGSDCTYICLNVSPHFVLSQELYSSYVQPYMFSTNLPYLFLAGNQQWAKNILDAVKKINQLIQQKTSLYEIDITMQLTLMWKNLVVNGFQLEYDQSEMIKSHRMKQMLNWIHLHYVEKITLEDIAKAGQLSRSECCRYFKRMLNKTPLRYVMDYRIQKSLLLLQHPESNVTEVSYQVGFNSTSYFISKFQQAMNMTPLSYKKMNS 1D5Y Chain:A ((3-108)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GIIRDLLIWLEGHLDQPLSLDNVAAKAGYSKWHLQRMFKDVTGHAIGAYIRARRLSKSAVALRLTARPILDIALQYRFDSQQTFTRAFKKQFAQTPALYRRS--

General information: TITO was launched using: RESULT: Template: 1D5Y.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 : 326 -43724 -134.12 -428.67 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -134.12 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_1D5Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1D5Y-query.scw PDB file : Tito_Scwrl_1D5Y.pdb: