Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTETTIQGLAASLNPARAARKIIGFVPTMGNLHEGHLTLVREAKKL-CDVVVVSIFVNPTQFGPGEDFDNYPRTLEQDSRLLADVGCDIIFAPSVEQMYGTQPRLTNISVSQITDDLCGSSRPGHFDGVALVVTKLFNIVQPNYAFFGQKDYQQLAVIRQFVQDLNIPLEVIGVPIVRAEDGLALSSRNGYLTPEQRQVAPVIYQGLKQAEEQLHQGKDLQQVLADLKTLLTDNGFVVDYVEARQPNLLAASQFDRDIVLFVAAKLGGTRLIDNLQVAFTPQ 3IOB Chain:B ((32-286)) -------------------GRRVM-LVPTMGALHEGHLALVRAAKRVPGSVVVVSIFVNPMQ------------TPDDDLAQLRAEGVEIAFTPTTAAMYPDGLR-TTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYLDPAQRAAA-VALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYLELRDIG-LGPMPLNGSGRLLVAARLGTTRLLDNIAI-----

General information: TITO was launched using: RESULT: Template: 3IOB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1218 -62349 -51.19 -257.64 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -51.19 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_3IOB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IOB-query.scw PDB file : Tito_Scwrl_3IOB.pdb: