Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSELLDALTILEKEKGISKEIIIEAIEAALISAYKRNFNQAQNVRVDLNRETGSIRVFARKDVVDEVYDQRLEISIEEAQGIHPEYMVGDVVEIEVTPKDFGRIAAQTAKQVVTQRVREAERGVIYSEFIDREEDIMTGIVQRLDNKFIYVSLG---KIEALLPV-NEQMP------NESYKPHDRIKVYITKVEKTTKGPQIYVSRTHPGLLKRLFEIEVPEIYDGTVELKSVAREAGDRSKISVRTDDPDVDPVGSCVGPKGQRVQAIVNELKGEKIDIVNWSSDPVEFVANALSPSKVLDVIVNEEEKATTVIVPDYQLSLAIGKRGQNARLAAKLTGWKIDIKSETDARELGIYPRELEEDDEPLFTEPETAESDE 1JJG Chain:A ((31-100)) ------------------------------------------------------------------------------------------------------------------------------------SPGSVHEGIVY-FKDGIFKVRLLGYEGHECILLDYLNYRQDTLDRLKERL-VGRVIKTRVVRADG---L-YVDLRR-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1JJG.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 : 233 -32411 -139.10 -540.18 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -139.10 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.643

(partial model without unconserved sides chains): PDB file : Tito_1JJG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JJG-query.scw PDB file : Tito_Scwrl_1JJG.pdb: