Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRIAINGFGRIGRNVLRAWFESPKQFHFEIVAINDIADVNTLVHLFKYDSTHGRFNGKVDITIENEKIYLNIQSNQRLLKVEVLQQKQPELLPWASLKIDVVLECTGLFRSHADATRHLEAGAKRVIIGAAPFDHVDAAIVYGVNHADVKATDQIISSVSCTTQALVPLVKIIDDAFGIETALMTEIHAVTADQSVLDHAHRDLRRARASGQNIIPTTSSALGALKRVMPKMENRIDGYSIRVPTINVAAIDLTFIAQSPITVHHINELLIKASQTDYAEIMAVTDEPLVSSDFNHSPYSLIVDSTQTMVVGHQAKVFAWYDNEWGYANRLLDLCDSF 3GNQ Chain:F ((12-335)) --RVAINGYGRIGRNTLRAFYENGKKHDLEIVAINDLGDAKTNAHLTQYDTAHGKFPGEVSV----DGDYLVVNGD----RIRVLANRNPAELPWGELGVDVVMECTGFFTSKEKASAHLKGGAKKVIISAPGGKDVDATIVYGVNHDVLKAEHTVISNASCTTNCLAPLVKPLNDKIGLETGLMTTIHAYTNDQVLTDVYHEDLRRARSATHSQIPTKTGAAAAVGLVLPELNGKLDGYAIRVPTINVSIVDLSFIAKRDTTAAEVNAIMKEASEGALKGILGYNEAPLVSIDFNHNPASSTFDATLTKVSGRLVKVSSWYDNEWGFSNRMLD-----

General information: TITO was launched using: RESULT: Template: 3GNQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1900 -207940 -109.44 -641.79 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain F : 0.86 3D Compatibility (PKB) : -109.44 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_3GNQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GNQ-query.scw PDB file : Tito_Scwrl_3GNQ.pdb: