Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQTREPGGIPIAEEIRAVILDPKNDRMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIKKNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN 4DWJ Chain:F ((26-224)) -------------------SAFITFEGPEGSGKTTVINEVYHRL--VKDYDVIMTREPGGVPTGEEIRKIVLE-GND-MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKNSRDQ-NRLDQEDLKFHEKVIEGYQEIIH--SQRFKSVNADQPLENVVEDTYQTIIK--------

General information: TITO was launched using: RESULT: Template: 4DWJ.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 : 939 -78616 -83.72 -399.06 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain F : 0.85 3D Compatibility (PKB) : -83.72 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.577

(partial model without unconserved sides chains): PDB file : Tito_4DWJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DWJ-query.scw PDB file : Tito_Scwrl_4DWJ.pdb: