Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVEKLGGKTMTAKISVIMGSTSDWETMKEACQILDEFGVSYEKKVVSAHRTPDLMFEYAQNARKKGIKIIIAGAGGAAHLPGMVASKTTLPVIGVPVQSRTLNGLDSLLSIVQMPGGVPVATTAIGKAGAINAGLLAIQMLSMYDLELEAKLAERRSMLAKTVIESSDQLG 4AY3 Chain:A ((22-179)) -----------KSLVGVIMGSTSDWETMKYACDILDELNIPYEKKVVSAHRTPDYMFEYAETARERGLKVIIAGAGGAAHLPGMVAAKTNLPVIGVPVQSKALNGLDSLLSIVQMPGGVPVATVAIGKAGSTNAGLLAAQILGSFHDDIHDALELRREAIEKDVREGSE---

General information: TITO was launched using: RESULT: Template: 4AY3.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 : 812 -114563 -141.09 -725.08 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -141.09 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.633

(partial model without unconserved sides chains): PDB file : Tito_4AY3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AY3-query.scw PDB file : Tito_Scwrl_4AY3.pdb: