Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKGFLVSLEGPEGAGKTSVLEALLPILEEKGVEVLTTREPGGVLIGEKIREVILDPSHTQMDAKTELLLYIASRRQHLVEKVLPALEAGKLVIMDRFIDSSVAYQGFGRGLDIEAIDWLNQFATDGLKPDLTLYFDIEVEEGLARIAANSDREVNRLDLEGLDLHKKVRQGYLSLLDKEGNRIVKIDASLPLEQVVETTNAVLFDGMGLAK 5H5K Chain:B ((2-181)) -----LIAFEGIDGSGKTTQAKKLYEYLKQKGYFVSLYREPGGTKVGEVLREILL---TEELDERTELLLFEASRSKLIEEKIIPDLKRDKVVILDRFVLSTIAYQGYGKGLDVEFIKNLNEFATRGVKPDITLLLDIPVDIALRRL-----KEKNR--FENKEFLEKVRKGFLELAKEEEN-VVVIDASGEEEEV----------------

General information: TITO was launched using: RESULT: Template: 5H5K.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 : 849 -65451 -77.09 -363.61 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -77.09 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_5H5K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5H5K-query.scw PDB file : Tito_Scwrl_5H5K.pdb: