Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELYTLPIIIKTEKMLKDLKQYY--PLSAYEKKKLFHFLAINLLAEQADSLD-IASNQ-SL----FFSDIGFYHL-KGVLGEKSVIFINKTLSWLYLHDKLDQKY-L-R-K---NEDETIEWLNERFIESFENQFNLLREETSQLIRRELTKIHFKLLHYTIN-K-AD----EFPLDVSFFRENYPAFYCYLIEYINDLTSKRKE--LLQDKFFLFFSYLLLLINHI-PIQLISEPVKIIIDFSYGAAYNQFIKKNLSLYINLNTEVI--E--------AGKPEFPDVIITNRNNLYEESASQVVVWLDPPRAVDWGNLTKILLTIQEEKYKDSKIDKQIDDFPEEIIDRIE 5WAY Chain:B ((176-492)) ----------PLSQLLELVYKETSFPMNLSTHRMLKLLLVTNLYRIKFGHFMEV----LDFLMQAEGIEGVAQSFESEYNISLDEEVVCQLFVSYFQKMFFIDESLFMKCVKKDSYVEKSYHLLSDFIDQISVKYQIE-IENKDNLIWHLHNT---AHLYRQELFTEFILFDQKGNTIRNFQNIFPKFVSDVKKELSHYLETLEVCSSSMMVNHLSYTFITHTKHLVINLLQNQPKLKVLVMSNFDQYHAKFVAETLSYYCSNNFELEVWTELELSKESLEDSP-YDIIISNFIIPP-IENKRLIYSNNINTVSLIYLLNAMMFIRLD------------------------

General information: TITO was launched using: RESULT: Template: 5WAY.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 : 978 -23561 -24.09 -85.99 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -24.09 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.341

(partial model without unconserved sides chains): PDB file : Tito_5WAY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5WAY-query.scw PDB file : Tito_Scwrl_5WAY.pdb: