Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAYDADLELFRDNFKRFMNEHIAPHYDQWEREGIMPRSVWSQLGENGFLCVDVPEEYGGYGVPTYYSLMLVEESARAGFCALSTAISCHSEIAAPYILHIGTEEQKQYWLPKMVTGEVVGAIGMTEPGAGSDLQSMRTSAILQDDHYLLNGSKTFISNGQHADLVVLAVKTDPQARAKGVSLLLVDTYLEGFKKGTNLDKIGLHSQDTSELFFDNVKVPKNQLLGQAGQGFAYLMQELPRERTAIASTAVGAIRGAIDLATAYVKERYAFGQPISQFQNTRFVLA--QAKIDELATTAFYERNVALYQ---EGKLDVETAAALKSFSTDMQMKVADNLLQLFGGYGYMTEYPISRFFVDARIQRIYGGTNEIMKEIVARGLIGKA 3OIB Chain:A ((28-399)) -----AEREALRKTVRAFAEREVLPHAHEWERAGEIPRELHRKAAELGLLGAGFPEDAGGSGGDGADPVVICEEMHYAGSPGGVYASLFTCGIAVPHMIASGDQRLIDTYVRPTLRGEKIGALAITEPGGGSDVGHLRTRADLDGDHYVINGAKTYITSGVRADYVVTAARTGGPG-AGGVSLIVVDKGTPGFEVTRKLDKMGWRSSDTAELSYTDVRVPVANLVGSENTGFAQIAAAFVAERVGLATQAYAGAQRCLDLTVEWCRNRDTFGRPLISRQAVQNTLAGMARRID---VARVYTRHVVERQLAGETNLIAEVCFA-KNTAVEAGEWVANQAVQLFGGMGYMAESEVERQYRDMRILGIGGGTTEILTSLAAKTL----

General information: TITO was launched using: RESULT: Template: 3OIB.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 : 2096 -163146 -77.84 -444.54 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -77.84 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_3OIB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OIB-query.scw PDB file : Tito_Scwrl_3OIB.pdb: