Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKKLSIAIDGPAAAGKSTVAKIVAEKKSYIYIDTGAMYRAITYAALQENVDLTDEEKLAELLKRTDIELITTKDGQKVFVNGTDVTEAIRTDEISNQVSIAAKHRSVREEMVKRQQQLGEK-GGVVMDGRDIGTHVLPNAEVKIFLLASVEERAKRRYEENVKKGFDVNYETLIEEIARRDKLDSEREVSPLRKAEDALEIDTTSLSIQEVADKILEAVEQKSR 4DIE Chain:B ((4-223)) ---SMVVAVDGPSGTGKSSVAKELARQLGASYLDTGAMYRIVTLWVLRAGVDLTDPAAIAAATDQVPMSVSSDPDAQTALLAGEDVSVPIRGNEVTGAVSAVSAVPAVRERLVRQQRELAESSGAVVVEGRDIGTVVLPDADVKIYLTASAQARAQRRN-------------------QRRDHLDSTRAVSPLRPAEDALEVDTSDMTQEQVVAHLLDLVRTR--

General information: TITO was launched using: RESULT: Template: 4DIE.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 : 971 -51941 -53.49 -259.71 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -53.49 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.603

(partial model without unconserved sides chains): PDB file : Tito_4DIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DIE-query.scw PDB file : Tito_Scwrl_4DIE.pdb: