Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKEMLEAFRILEEDKRIKKEDIIDAVVESLRSAYRRRYGQSDSVAIDFNEKTGDFTVYTVREVVDEAFDSRLEISLKDALAINSAYELGDKIKFEEAPAEFGRVAAQSAKQTIMEKMRKQTRAITYNTYKEHEQEIMSGTVERFDNR-----FIYVNLGS----IEAQLSKQDQIPGEVFASHDRIEVYVYKVEDNPRGVNVFVSRSHPEMIKRLMEQEIPEVYDGTVEIMSVAREAGDRTKVAVRSHNPNVDAIGTIVGRGGANIKKITSKFHPARYDAKNDRMVPIEENIDVIEWVADPAEFIYNAIAPAEVDQVIFDESDSKRALVVVPDNKLSLAIGRRGQNVRLAAHLTGYRIDIKSASEFEAMEDAASVELEVENDTVEE 2ASB Chain:A ((4-221)) ----------------------------------------------------------------------------------------------------------------------------------STREGEIVAGVIQR-DSRANARGLVVVRIGTETKASEGVIPAAEQVPGESYEHGNRLRCYVVGVTRGAREPLITLSRTHPNLVRKLFSLEVPEIADGSVEIVAVAREAGHRSKIAVRSNVAGLNAKGACIGPMGQRVRNVMSELS--------------GEKIDIIDYDDDPARFVANALSPAKVVSVSVIDQTARAARVVVPDFQLSLAIGKEGQNARLAARLTGWRIDIRG------------------------

General information: TITO was launched using: RESULT: Template: 2ASB.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 : 996 42640 42.81 204.02 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 42.81 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_2ASB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ASB-query.scw PDB file : Tito_Scwrl_2ASB.pdb: