Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSLTSTYRLSNGYEIPVVGFGTWQTPDGDVAVSSVKEALAAGYRHIDTAQGYKNEESVGQAIKESGIPREEIFLTTKLWNANHSYELVMSSFEESLKKLQTDYLDLFLIHWPNPVAFRDNWEQANADTWRAFEELYEAGKIKAIGVSNFLPHHLDTLAKTAKIMPMVNQVFLAPGELQTTVVEYAKKHDMILEAYSPLGTGKIFDVPEMKQIAEAHDKTIAQVALRWSLQHEFLPLPKSVTPSRIKENTELFDFELTEEEMKQIDQLDGVVGKAKDPDTTQF 3O0K Chain:B ((25-282)) ---TVPTVKLNDGNHIPQLGYGVWQISN-DEAVSAVSEALKAGYRHIDTATIYGNEEGVGKAINGSGIARADIFLTTKLWNSDQGYESTLKAFDTSLKKLGTDYVDLYLIHWPMPSK------DLFMETWRAFIKLKEEGRVKSIGVSNFRTADLERLIKESGVTPVLNQIELHPQFQQDELRLFHGKHDIATEAWSPLG---LLEDPTLKSIAEKHAKSVAQIILRWHIETGNIVIPKSITPARIKENFDIFDFTLNGTDHDAITKL---------------

General information: TITO was launched using: RESULT: Template: 3O0K.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 : 1428 -122063 -85.48 -478.68 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -85.48 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.589

(partial model without unconserved sides chains): PDB file : Tito_3O0K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3O0K-query.scw PDB file : Tito_Scwrl_3O0K.pdb: