Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVEKLGGKTMTAKISVIMGSTSDWETMKEACQILDEFGVSYEKKVVSAHRTPDLMFEYAQNARKKGIKIIIAGAGGAAHLPGMVASKTTLPVIGVPVQSRTLNGLDSLLSIVQMPGGVPVATTAIGKAGAINAGLLAIQMLSMYDLELEAKLAERRSMLAKTVIESSDQLG 4AY4 Chain:A ((22-177)) -----------KSLVGVIMGSTSDWETMKYACDILDELNIPYEKKVVSAHRTPDYMFEYAETARERGLKVIIAGAGGAAHLPGMVAAKTNLPVIGVPVQSKALNGLDSLLSIVQMPGGVPVATVAIGKAGSTNAGLLAAQILGSFHDDIHDALELRREAIEKDVREG-----

General information: TITO was launched using: RESULT: Template: 4AY4.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 : 815 -113861 -139.71 -729.88 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -139.71 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.640

(partial model without unconserved sides chains): PDB file : Tito_4AY4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AY4-query.scw PDB file : Tito_Scwrl_4AY4.pdb: