Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADKAFHTRLINMRRDLHEHPELSFQEVETTKKIRRWLEEEQIEILDVPQLKTGVIAEIKGREDGPVIAIRADIDALPIQEQTNLPFASKVDGTMHACGHDFHTASIIGTAMLLNQRRAELKGTVRFIFQPAEEIAAGARKVLEAGVLNGVSAIFGMHNKPDLPVGTIGVKEGPLMASVDRFEIVIKGKGGHAGIPNNSIDPIAAAGQIISGLQSVVSRNISSLQNAVVSITRVQAGTSWNVIPDQAEMEGTVRTFQKEARQAVPEHMRRVAEGIAAGYGAQAEFKWFPYLPSVQNDGTFLNAASEAAARLGYQTVHAEQSPGGEDFALYQEKIPGFFVWMGTNGTEEWHHPAFTLDEEALTVASQYFAELAVIVLETIK 1YSJ Chain:A ((26-403)) -ADKAFHTRLINMRRDLHEHPELSFQEVETTKKIRRWLEEEQIEILDVPQLKTGVIAEIKGREDGPVIAIRADIDALPIQEQTNLPFASKVDGTMHACGHDFHTASIIGTAMLLNQRRAELKGTVRFIFQPAEEIAAGARKVLEAGVLNGVSAIFGMHNKPDLPVGTIGVKEGPLMASVDRFEIVIKGK--------NSIDPIAAAGQIISG-----------LQNAVVSITRVQAGTSWNVIPDQAEMEGTVRTFQKEARQAVPEHMRRVAEGIAAGYGAQAEFKWFPYLPSVQNDGTFLNAASEAAARLGYQTVHAEQSPGGEDFALYQEKIPGFFVWMGTNGTEEWHHPAFTLDEEALTVASQYFAELAVIVLETI-

General information: TITO was launched using: RESULT: Template: 1YSJ.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 : 2089 -190150 -91.02 -529.67 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.97 3D Compatibility (PKB) : -91.02 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.97 QMean score : 0.630

(partial model without unconserved sides chains): PDB file : Tito_1YSJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YSJ-query.scw PDB file : Tito_Scwrl_1YSJ.pdb: