Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKVEQNEGLVEKLVAVDRVAKVVKGGRIFSFTALTVVGDGNGRVGFGRGKAREVPAAISKALEAARRNMITVDLAGTTLQHPVNARHGASRVYMQPASEGTGVIAGGAMRAVLEAAGVHNVLAKCYGSTNAANVVNATFKGLRDMTSPEKVA-AKRGKSVEEIQG 4AQY Chain:E ((7-153)) -----------EKMILIRRTARMQAGGRRFRFGALVVVGDRQGRVGLGFGKAPEVPLAVQKAGYYARRNMVEVPLQNGTIPHEIEVEFGASKIVLKPAAPGTGVIAGAVPRAILELAGVTDILTKELGSRNPINIAYATMEALRQLRTKADVERLRKG--------

General information: TITO was launched using: RESULT: Template: 4AQY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 732 -81938 -111.94 -561.22 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain E : 0.82 3D Compatibility (PKB) : -111.94 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_4AQY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AQY-query.scw PDB file : Tito_Scwrl_4AQY.pdb: