Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKGFLVSLEGPEGAGKTSVLEALLPILEEKGVEVLTTREPGGVLIGEKIREVILDPSHTQMDAKTELLLYIASRRQHLVEKVLPALEAGKLVIMDRFIDSSVAYQGFGRGLDIEAIDWLNQFATDGLKPDLTLYFDIEVEEGLARIAANSDREVNRLDLEGLDLHKKVRQGYLSLLDKEGNRIVKIDASLPLEQVVETTNAVLFDGMGLAK 3UWK Chain:A ((23-213)) ---GLFVTLEGPEGAGKSTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLARAAAR-----DRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEV----------------

General information: TITO was launched using: RESULT: Template: 3UWK.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 : 843 -63678 -75.54 -338.71 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -75.54 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_3UWK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UWK-query.scw PDB file : Tito_Scwrl_3UWK.pdb: