Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFFQIQYKSSTRDGGNNVNGLFITIEGPDGAGKTSILNELYPLLKEVAKTEIIQTREPGGIPIAEEIRAVILDPKNDRMDERTEALLYAAARRQHLVEKVLPALAKGKIVLCDRFVDSSLAYQGAGRRIGVTEIARLNEFATEGTTPDFTLYLDVDSDTGLRRIKKNRQNQIDRLDSEGLEFHQRVRHAYLKLAEENPERIHKVDARKSFEEVLQTSYHTIIEQYPQFFEN 4DWJ Chain:H ((25-224)) ------------------MSAFITFEGPEGSGKTTVINEVYHRL--VKDYDVIMTREPGGVPTGEEIRKIVLE-GND-MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIK--------LDQEDLKFHEKVIEGYQEIIH----RFKSVNADQPLENVVEDTYQTIIK--------

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 H - contact count / total energy / energy per contact / energy per residue : 905 -82367 -91.01 -435.80 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain H : 0.85 3D Compatibility (PKB) : -91.01 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.584

(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: