Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKLDLQPSEKLFIPFITAGDPVPEVSIELAKSLQKAGATALELGVAYSDPLADGPVIQRASKRALDQGMNIVKAIELGGEMKKNGVNIPIILFTYYNPVLQLNKEYFFALLRENHIDGLLVPDLPLEESNSLQEECKSHEVTYISLVAPT-SESRLKTIIEQAEGFVYCVSSLGVTGVRNEFNSSVYPFIRTVKNLSTVPVAVGFGISNREQVIKMNEI-SDGVVVGSALVRKIEELKDRLISAETRNQALQEFEDYAMAFSGLYSLK 1TJR Chain:A ((19-253)) ------------FIPYITAGDPDLATTAEALRLLDGCGADVIELGVPCSDPYIDGPIIQASVARALASGTTMDAVLEMLREVTPE-LSCPVVLLSYYKPIMSRS----LAEMKEAGVHGLIVPDLPYVAAHSLWSEAKNNNLELVLLTTPAIPEDRMKEITKASEGFVYLVSVNGVTGPRANVNPRVESLIQEVKKVTNKPVAVGFGISKPEHVKQIAQWGADGVIIGSAMVRQLGE-------AASPKQGLRRLEEYA----------

General information: TITO was launched using: RESULT: Template: 1TJR.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 : 1285 -106723 -83.05 -458.04 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -83.05 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.639

(partial model without unconserved sides chains): PDB file : Tito_1TJR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1TJR-query.scw PDB file : Tito_Scwrl_1TJR.pdb: