Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQKGRGLEILINEKQDGQWLFSVLKTALKASKPVIQDWMSHQQIKVNHESVL-NNMIVKKGDRVFIDLQESEASSVIPEYGELDILFEDNHMLIINKPAGIATHPNEDGQTGTLANLIAYHYQINGETCKVRHVHRLDQDTSGAIVFAKHRLAHAILDQQLEKKTLKRTYTAIAEGKLRTKKGTINSPIGRDRSHPTRRRVSPGGQTAVTHFKVMASNAKERLSLVELELETGRTHQIRVHLASLGHPLTGDSLYGGGSKLLNRQALHANKVQAVHPITDELIVAEAPFPADMKNLCRTYFS 1VIO Chain:A ((2-209)) -----------------SLRLDKFIAENVGLTRSQATKAIRQSAVKINGEIVKSGSVQISQEDEIYFEDE-------------LLTWIEEGQYFMLNKPQGCVCSNDD---YPTIYQFFDYPLA-----GKLHSAGRLDVDTTGLVLLTDDGQWSHRITSP--KHHCEKTYLVTLADPVEENY-S--AACAEGI---LLRGEKEPTKPA--KLEILD------DYNVNLTISEGRYHQVKRMFAALGNKVVGLHRWKIGD-------------------------------------------

General information: TITO was launched using: RESULT: Template: 1VIO.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 : 966 -85395 -88.40 -416.56 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -88.40 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.246

(partial model without unconserved sides chains): PDB file : Tito_1VIO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VIO-query.scw PDB file : Tito_Scwrl_1VIO.pdb: