Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRIAINGFGRIGRNVLRAWFESPKQFHFEIVAINDIADVNTLVHLFKYDSTHGRFNGKVDITIENEKIYLNIQSNQRLLKVEVLQQKQPELLPWASLKIDVVLECTGLFRSHADATRHLEAGAKRVIIGAAPFDHVDAAIVYGVNHADV-KATDQIISSVSCTTQALVPLVKIIDDAFGIETALMTEIHAVTADQSVLDHAHRDLRRARASGQNIIPTTSSALGALKRVMPKMENRIDGYSIRVPTINVAAIDLTFIAQSPITVHHINELLIKASQTDYAEIMAVTDEPLVSSDFNHSPYSLIVDSTQTMVVGHQAKVFAWYDNEWGYANRLLDLCDSF 1VC2 Chain:A ((2-324)) --KVGINGFGRIGRQVFRILHER----GVEVALINDLTDNKTLAHLLKYDSTYGRFPGAVGYDEEN--LYVDGKA------IRATAIKDPREIPWKQAGVGVVVESTGVFTDGEKARAHLEAGAKKVII-TAPAKNEDITVVLGVNHEQYDPAKHHILSNASCTTNSLAPVMKVLEKAFGVEKALMTTVHSYTNDQRLLDLPHKDLRRARAAALNIIPTTTGAAKATALVLPSLKGRFDGMALRVPTPTGSISDITALLKREVTAEEVNAALKAAAEGPLKGILAYTEDEIVLRDIVMDPHSSIVDGKLTKAIGNLVKVFAWYDNEWGYANRVADLVE--

General information: TITO was launched using: RESULT: Template: 1VC2.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 : 1953 -133010 -68.11 -413.07 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -68.11 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_1VC2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VC2-query.scw PDB file : Tito_Scwrl_1VC2.pdb: