Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKGFLVSLEGPEGAGKTSVLEALLPILEEKGVEVLTTREPGGVLIGEKIREVILDPSHTQMDAKTELLLYIASRRQHLVEKVLPALEAGKLVIMDRFIDSSVAYQGFGRGLDIEAIDWLNQFATDGLKPDLTLYFDIEVEEGLARIAANSDREVNRLDLEGLDLHKKVRQGYLSLLDKEGNRIVKIDASLPLEQVVETTNAVLFDGMGLAK 4HEJ Chain:A ((4-194)) -----FITFEGPEGSGKTTVINEVYHRLV-KDYDVIMTREPGGVPTGEEIRKIVLEGN--DMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN-----NRLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDT------------

General information: TITO was launched using: RESULT: Template: 4HEJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 869 -74591 -85.83 -398.88 target 2D structure prediction score : 0.80 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -85.83 2D Compatibility (Sec. Struct. Predict.) : 0.80 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_4HEJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HEJ-query.scw PDB file : Tito_Scwrl_4HEJ.pdb: