Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKGFLVSLEGPEGAGKTSVLEALLPILEEKGVEVLTTREPGGVLIGEKIREVILDPSHTQMDAKTELLLYIASRRQHLVEKVLPALEAGKLVIMDRFIDSSVAYQGFGRGLDIEAIDWLNQFATDGLKPDLTLYFDIEVEEGLARIAANSDREVNRLDLEGLDLHKKVRQGYLSLLDKEGNRIVKIDASLPLEQVVETTNAVLFDGMGLAK 5XB3 Chain:A ((2-181)) -----LIAFEGIDGSGKTTQAKKLYEYLKQKGYFVSLYREPGGTKVGEVLREILL---TEELDERTELLLFEASRSKLIEEKIIPDLKRDKVVILDRFVLSTIAYQGYGKGLDVEFIKNLNEFATRGVKPDITLLLDIPVDIALRRL-----KEKNR--FENKEFLEKVRKGFLELAKEEEN-VVVIDASGEEEEV----------------

General information: TITO was launched using: RESULT: Template: 5XB3.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 : 860 -67247 -78.19 -373.59 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -78.19 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.559

(partial model without unconserved sides chains): PDB file : Tito_5XB3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5XB3-query.scw PDB file : Tito_Scwrl_5XB3.pdb: