Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKGFLVSLEGPEGAGKTSVLEALLPILEEKGVEVLTTREPGGVLIGEKIREVILDPSHTQMDAKTELLLYIASRRQHLVEKVLPALEAGKLVIMDRFIDSSVAYQGFGRGLDIEAIDWLNQFATDGLKPDLTLYFDIEVEEGLARIAANSDREVNRLDLEGLDLHKKVRQGYLSLLDKEGNRIVKIDASLPLEQVVETTNAVLFDGMGLAK 4GMD Chain:A ((6-196)) ---GLFVTLEGPEGAGKSTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIG-----ARG--RLDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEV----------------

General information: TITO was launched using: RESULT: Template: 4GMD.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 : 817 -61689 -75.51 -331.66 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -75.51 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.594

(partial model without unconserved sides chains): PDB file : Tito_4GMD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GMD-query.scw PDB file : Tito_Scwrl_4GMD.pdb: