Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQMGDTVFMFFCALLVWLMT-PGLALFYGGMVKSKNVLSTAMHSFSSIAIVSIVWVLFGYTLAFAPGNSIIGGLEWAGLKGVGFDPGDYSDTIPHSLFMMFQMTFAVLTTAIISGAFAERMRFGAFLLFSVLWASLVYTPVAHWVWGGGWIGQLGALDFAGGNVVHISSGVAGLVLAIVLGKRKDGTASSPHNLIYTFLGGALIWFGWFGFNVGSALTLDGVAMYAFINTNTAAAAGIAGWILVEWIINKKPTMLGAVSGAIAGLVAITPAAGFVTPFASIIIGIIGGAVCFWGVFSLKKKFGYDDALDAFGLHGIGGTWGGIATGLFATTSVNSAG-ADGLFYGDASLIWKQIVAIAATYVFVFIVTFVIIKIVSLFLPLRATEEEESLGLDLTMHGEKAYQDSM 1XQE Chain:A ((9-386)) ----DNAFMMICTALVLFMTIPGIALFYGGLIRGKNVLSMLTQVTVTFALVCILWVVYGYSLAFGEGNNFFGNINWLMLKNIELTA--VMGSIYQYIHVAFQGSFACITVGLIVGALAERIRFSAVLIFVVVWLTLSYIPIAHMVWGGGLLASHGALDFAGGTVVHINAAIAGLVGAYLIG---------PHNLPMVFTGTAILYIGWFGFNAGSAGTANEIAALAFVNTVVATAAAILGWIFGEWALRGKPSLLGACSGAIAGLVGVTPACGYIGVGGALIIGVVAGLAGLWGVTM-------DDPCDVFGVHGVCGIVGCIMTGIFAASSLGGVGFAEGVTMGHQLLV--QLESIAITIVWSGVVAFIGYKLADLTVGLRVP----------------------

General information: TITO was launched using: RESULT: Template: 1XQE.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 : 2208 -373877 -169.33 -1044.35 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -169.33 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_1XQE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XQE-query.scw PDB file : Tito_Scwrl_1XQE.pdb: