Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSRYERQEKIGEGTYGVVYKARDTSTAATVALKRIRLDSEEEGVPCTAIREISLLKELRHENIVKLLDVCHSEHRLTIVFEYLDLDLKKYLDRENGNLDAATVQHFMRDLLRGVAFCHQRSVLHRDLKPQNLLISREKELKLGDFGLGRSFAIPVRKFTNEVVTLWYRPPDVLLGSMQYGPPVDVWSVGCIFSEMATGTPLFAGKNDADQLMRIFRFLGTPNNRVWPSMNQYPNSNNMLSQPEFLQNFEPEWSNVLGSVPGYEKLGCAGVDLLEKLLRYEPSERITAADALNHPYFSLQF 4BGQ Chain:A ((11-301)) -MNKFEILGVVGEGAYGVVLKCRHKETHEIVAIKKFK-------VKETTLRELKMLRTLKQENIVELKEAFRRRGKLYLVFEYVEKNMLELLEEMPNGVPPEKVKSYIYQLIKAIHWCHKNDIVHRDIKPENLLISHNDVLKLCDFGFARNLSE----------TRWYRSPELLLGA-PYGKSVDMWSVGCILGELSDGQPLFPGESEIDQLFTIQKVLGPLPSEQMKLFYSNPRFHG-LRFPAV---NHPQSL----ERRYLGILNSVLLDLMKNLLKLDPADRYLTEQCLNHPTFQTQ-

General information: TITO was launched using: RESULT: Template: 4BGQ.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 : 1296 -140958 -108.76 -516.33 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -108.76 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_4BGQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BGQ-query.scw PDB file : Tito_Scwrl_4BGQ.pdb: