Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKGFLVSLEGPEGAGKTSVLEALLPILEEKGVEVLTTREPGGVLIGEKIREVILDPSHTQMDAKTELLLYIASRRQHLVEKVLPALEAGKLVIMDRFIDSSVAYQGFGRGLDIEAIDWLNQFATDGLKPDLTLYFDIEVEEGLARIAANSDREVNRLDLEGLDLHKKVRQGYLSLLDKEGNRIVKIDASLPLEQVVETTNAVLFDGMGLAK 4MQB Chain:B ((5-206)) ---SAFITFEGPEGSGKTTVINEVYHRLVK-DYDVIMTREPGGVPTGEEIRKIVLEGN--DMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKNS-RDQNRLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLE---

General information: TITO was launched using: RESULT: Template: 4MQB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 943 -98218 -104.15 -486.23 target 2D structure prediction score : 0.81 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -104.15 2D Compatibility (Sec. Struct. Predict.) : 0.81 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.614

(partial model without unconserved sides chains): PDB file : Tito_4MQB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MQB-query.scw PDB file : Tito_Scwrl_4MQB.pdb: