Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKQKVLALPDDVHELSTHRSKSIVNYII----TLLAFAKKQGLTHQDIVSWIHEQYEERGYYDEWRHINSQQPVGSFVELFIKGRRLLYDKIELFETEDKYVVNTHTWYEKEPSEAFFYFEIDPEEFSAYASILAIENAKRLGIKIDIVKETDVETAYIYKHQ 2JTD Chain:A ((1-122)) EEEMKRLLALSQEHKFPTVPTKSELAVEILEKGQVRFWMQAEKLSSNAKVSYIFNEKEIFEGPKYKMHIDRNT---GIIEMFMEKLQ-------------------------DEDEGTYTFQIQDGKATGHSTLVLIG---------DVYKKLQKEAEF-----

General information: TITO was launched using: RESULT: Template: 2JTD.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 : 486 30101 61.94 255.09 target 2D structure prediction score : 0.24 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 61.94 2D Compatibility (Sec. Struct. Predict.) : 0.24 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_2JTD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JTD-query.scw PDB file : Tito_Scwrl_2JTD.pdb: