Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKGFLVSLEGPEGAGKTSVLEALLPILEEKGVEVLTTREPGGVLIGEKIREVILDPSHTQMDAKTELLLYIASRRQHLVEKVLPALEAGKLVIMDRFIDSSVAYQGFGRGLDIEAIDWLNQFATDGLKPDLTLYFDIEVEEGLARIAANSDREVNRLDLEGLDLHKKVRQGYLSLLDKEGNRIVKIDASLPLEQVVETTNAVLFDGMGLAK 3HJN Chain:B ((2-181)) -----FITFEGIDGSGKSTQIQLLAQYLEKRGKKVILKREPGGTETGEKIRKILLEEEVT---PKAELFLFLASR-NLLVTEIKQYLSEGYAVLLDRYTDSSVAYQGFGRNLGKEIVEELNDFATDGLIPDLTFYIDVDVETALKR---------NR--FEKREFLERVREGYLVLAREHPERIVVLDGKRSIEEI----------------

General information: TITO was launched using: RESULT: Template: 3HJN.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 : 860 -61032 -70.97 -346.77 target 2D structure prediction score : 0.82 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -70.97 2D Compatibility (Sec. Struct. Predict.) : 0.82 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_3HJN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HJN-query.scw PDB file : Tito_Scwrl_3HJN.pdb: