Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIFLTLLTVSLLGGVSTAVAQDFTIAAKHAIAVEANTGKILYEKDATQPVEIASITKLITVYLVYEALENGSITLSTPVDISDYPYQLTT--NSEASNIPMEA-RNYTVEELLEATLVSSANSAAIALAEKIAGSEKDFVDMMRAKLLEWGIQDATVVNTTGLNNETLGDNIYPGSKKDEENKLSAYDVAIVARNLIKKYPQVLEITKKPSSTFAGMTITSTNYMLEGMPAYRGGFDGLKTGTTDKAGESFVGTTVEKGMRVITVVLNADHQDNNPYARFTATSSLMDYISSTFTLRKIVQQGDAYQDSKAPVQDGKEDTVIAVAPEDIYLIERVGNQSSQSVQFTPDSKAIPAPLEAGTVVGHLTYEDKDLIGQGYITTER-PSFEMVADKKIEKAFFLKVWWNQFVRFVNEKL 3ITB Chain:B ((7-352)) ----------------------EAPSVDARAWILMDYASGKVLAEGNADEKLDPASLTKIMTSYVVGQALKADKIKLTDMVTVGKDAWATGNPALRGSSVMFLKPGDQVSVADLNKGVIIQSGNDACIALADYVAGSQESFIGLMNGYAKKLGLTNTTFQTVHGLDAPG--------------QFSTARDMALLGKALIHDVPEEYAIHKEKEFTFNKIRQPNRNRLLWS-S--NLNVDGMKTGTTAGAGYNLVASATQGDMRLISVVLGAKT----DRIRFNESEKLLTWGFRFFETVTPIKPDAT--FVTQRVWFGDKSEVNLGAGEAGSVTIPRGQLKNLKASYTLTEPQLTAPLKKGQVVGTIDFQLNG---------KSIEQRPLIVMENVEEGG-----------------

General information: TITO was launched using: RESULT: Template: 3ITB.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 : 2030 15646 7.71 45.75 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : 7.71 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_3ITB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ITB-query.scw PDB file : Tito_Scwrl_3ITB.pdb: