Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWCFKNGQPVE----TIPLLDRAFHYGDGCFTTIRVFQNKIELKARHWERLKLACQKLSLV--ADFELIEQSLQRLQNQNLVLNGTLKIVISRGEGDRGYS-LPKHAADIYI---WFYPKALEQFQPDFIQCGVLNQALGLTMPSLVGLKSLNRLEQVLLKKEADQQGWVEALVTDVQGYIVEGVSSNCFIRLNDRWITPELRYNGVHGVMRAEILVRMQHYGIACEVRIIELDEVPQIQSLFFCNALHPMRVVTQISEQILESQACLNLFHTLNLNQIH 3DAA Chain:A ((1-259)) GYTLWNDQIVKDEEVKIDKEDRGYQFGDGVYEVVKVYNGEMFTVNEHIDRLYASAEKIRITIPYTKDKFHQLLHELVEKNELNTGHIYFQVTRGTSPRAHQFPENTVKPVIIGYTKENPRP-LENLEKGVKATFVEDI----RWLRCDIKSLNLLGAVLAKQEAHEKGCYEAIL-HRNNTVTEGSSSNVFGIKDGILYTHPANNMILKGITRDVVIACANEINMPVKEIPFTTHEALKMDELFVTSTTSEITPVIEIDGKLIRDG---------------

General information: TITO was launched using: RESULT: Template: 3DAA.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 : 1212 15180 12.52 60.96 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 12.52 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_3DAA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DAA-query.scw PDB file : Tito_Scwrl_3DAA.pdb: