Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRLLSTLLIGIMLLTFAPSAFAKQDGKRTSELAHEAKSAVLIERDTGKVLYNKNSNERLAPASMTKIMTMLLIMEALDKGKIKMSDKVRTSEHAASMG------GSQIFLEPGEEMTVKEMLKGIAIASGNDASVAMAEFISGSEEEFVKKMNKKAKELGLKNTSFKNPTGLTEEGHYSSAYDMAIMAKELLK-YESITKFTGTYEDYLRENTDKKFWLVNTNRLIKF-YPGVDGVKTGYTGEAKYCLTASAKKGNMRAIAVVFGASTPKERNAQVTKMLDFAFSQYETHPLYKRNQTVAKVKVKKGKQKFIELTTSEPISILTKKGEDMNDVKKEIKM-KDNISAPIQKGQELGTLVLKKDGEVLAESPVAAKEDMKKAGFITFLKRTMGDWTKFK 3ITA Chain:A ((6-352)) -----------------------------VEAPSVDARAWILMDYASGKVLAEGNADEKLDPASLTKIMTSYVVGQALKADKIKLTDMVTVGKDAWATGNPALRGSSVMFLKPGDQVSVADLNKGVIIQSGNDACIALADYVAGSQESFIGLMNGYAKKLGLTNTTFQTVHGLDAPGQFSTARDMALLGKALIHDVPEEYAIHKEKEFTFNK-----IRQPNRNRLLWSSNLNVDGMKTGTTAGAGYNLVASATQGDMRLISVVLGAKTDRIRFNESEKLLTWGFRFFETVTPIKPDATFVTQRVWFGDKSEVNLGAGEAGSVTIPRGQLKN-LKASYTLTEPQLTAPLKKGQVVGTIDFQLNGKSIEQRPLIVMENVEEGG----------------

General information: TITO was launched using: RESULT: Template: 3ITA.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 : 1953 79780 40.85 236.03 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 40.85 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_3ITA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ITA-query.scw PDB file : Tito_Scwrl_3ITA.pdb: