Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSELLDALTILEKEKGISKEIIIEAIEAALISAYKRNFNQAQNVRVDLNRETGSIRVFARKDVVDEVYDQRLEISIEEAQGIHPEYMVGDVVEIEVTPKDFGRIAAQTAKQVVTQRVREAERGVIYSEFIDREEDIMTGIVQRLDN----KFIYVSLG----KIEALLPVNEQMPNESYKPHDRIKVYITKVEKTTKGPQIYVSRTHPGLLKRLFEIEVPEIYDGTVELKSVAREAGDRSKISVRTDDPDVDPVGSCVGPKGQRVQAIVNELKGEKIDIVNWSSDPVEFVANALSPSKVLDVIVNE-EEKATTVIVPDYQLSLAIGKRGQNARLAAKLTGWKIDIKSETDARELGIYPRELEEDDEPLFTEPETAESDE 2ASB Chain:A ((4-229)) ----------------------------------------------------------------------------------------------------------------------------------STREGEIVAGVIQRDSRANARGLVVVRIGTETKASEGVIPAAEQVPGESYEHGNRLRCYVVGVTRGAREPLITLSRTHPNLVRKLFSLEVPEIADGSVEIVAVAREAGHRSKIAVRSNVAGLNAKGACIGPMGQRVRNVMSELSGEKIDIIDYDDDPARFVANALSPAKVVSVSVIDQTARAARVVVPDFQLSLAIGKEGQNARLAARLTGWRIDIRGDAPPPPPG------------------------

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 : 1079 -94709 -87.77 -436.44 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -87.77 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.488

(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: