Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELYTLPIIIKTEKMLK--DLKQYYPLSAYEKKKL-----FHFLAINLLAEQADSLDIASNQSLFFSDIGFYHLKGVLGEKSVIFINKTLSWLYLHDKLDQKYLRKNEDETIEWLNERF-I-ESFENQ---FNLLREETSQLIRRELTKIHFKLLHY-T--------INKADEFPLDVS-FFRENYPAFYCYLIEYINDL--TSKRKELLQDKFFLFFSYLLLLINHIPIQLISEPVKIIIDFS-YGAAYNQFIKKNLSLYINLNTEVIEAGKPEFPDVIITNRNNLYEESASQVVVWLDPPRAVDWGNLTKILLTIQEEKYKDSKIDKQIDDFPEEIIDRIE 5TQB Chain:B ((1-335)) -SINPKELLDRATTLLEEGDIETAAKVARTAYEHIGENGRHAGAALTLLGQIHVELGDIDAARNYYAAAVKVDEDGSLPEELGGGPEKFLWLAQLSEEGGHDSVAWFERGATVLRAQIQSLMDSLEQRPLSRGQVEAAIADKRRRLAETLCAVVEVYMTDLSWEDDAEQRCEALITEATMIAPE-WPETWQTVANVRISQERTEEAREALRRSLGLWTHLPPEDPGVPPFPSRVSLVRLLIEVDME----EEALEVTERLIAEDDLSVEVWYLGGYARYRLGEKEREASGQASEPEAWKDTWRSSR-KWLRQCLKVFEAEEYEDERLGEHAKELIASIIGEL-

General information: TITO was launched using: RESULT: Template: 5TQB.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 : 1319 22191 16.82 71.58 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 16.82 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.234

(partial model without unconserved sides chains): PDB file : Tito_5TQB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5TQB-query.scw PDB file : Tito_Scwrl_5TQB.pdb: