Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKLDLQPTEKLFIPFITAGDPVPEVSIELAKSLQKAGATALELGVAYSDPLADGPVIQRASKRALDQGMNIVKAIELGGEMKKNGVNIPIILFTYYNPVLQLNKEYFFALLQENHIDGLLVPDLPLEESNSLQEECKSHEVTYISLVAPTS-ESRLKTIIEQAEGFVYCVSSLGVTGVRNEFNSSVYPFIRTVKNLSTVPVAVGFGISNREQVIKMNEISDGVVVGSALVRKIEELKDRLISAETRNQALQEFEDYAMAFSGLYSLK 1WXJ Chain:A ((18-257)) ------------LIPYLTAGFPSREGFLQAVEEVLPY-ADLLEIGLPYS-----GPVIQRASELALRKGMSVQGALELVREVRAL-TEKPLFLMTYLNPVLAWGPERFFGLFKQAGATGVILPDLPPDEDPGLVRLAQEIGLETVFLLAPTSTDARIATVVRHATGFVYAVS-------------EVKDLVRRIKARTALPVAVGFGVSGK-ATAAQAAVADGVVVGSALVRALEEGRSLAPLLQEIRQGLQRLE-------------

General information: TITO was launched using: RESULT: Template: 1WXJ.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 : 1204 -196674 -163.35 -889.93 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -163.35 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_1WXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WXJ-query.scw PDB file : Tito_Scwrl_1WXJ.pdb: