Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELYTLPIIIKTEKMLKDLKQYYPLSAYEKKKLFHFLAINLLAEQADSLDIASNQSLFFSDIGFYHLKGVLGEKSVIFINKTLSWLYLHDKLDQKYLRKNEDETIEWLNERFIESFENQFNLLREETSQLIRRELTKIHFKLLHYTIN-KADEFP--LDVSFFRENYPAFYCYLIEYINDLTSKRKE--LLQDKFFLFFSYLLLLINHIPIQLISEPVKIIIDFSYGAAYNQFIKKNLSLYINLNTEVIEAGKPEFPDVIITNRNNLYEESASQVVVWLDPPRAVDWGNLTKILLTIQEEKYKDSKIDKQIDDFPEEIIDRIE 3UFE Chain:B ((12-107)) --------------------------------------------------------------------------------------------------------HSQLMAQLVEVIEDSFQMK-VNKESVNYLRLI-RHIRFTIERIKKEEPTKEPEKLMLLLKNEYPLCYNTAWKLIKILQQTLKKPVHEAEAVYLTLHLI-------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3UFE.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 : 163 -28564 -175.24 -313.88 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.54 3D Compatibility (PKB) : -175.24 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.418

(partial model without unconserved sides chains): PDB file : Tito_3UFE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UFE-query.scw PDB file : Tito_Scwrl_3UFE.pdb: