Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAYDADLELFRDNFKRFMNEHIAPHYDQWEREGIMPRSVWSQLGENGFLCVDVPEEYGGYGVPTYYSLMLVEESARAGFCALSTAISCHSEIAAPYILHIGTEEQKQYWLPKMVTGEVVGAIGMTEPGAGSDLQSMRTSAILQDDHYLLNGSKTFISNGQHADLVVLAVKTDPQARAKGVSLLLVDTYLEGFKKGTNLDKIGLHSQDTSELFFDNVKVPKNQLLGQAGQGFAYLMQELPRERTAIASTAVGAIRGAIDLATAYVKERYAFGQPISQFQNTRFVLAQAKIDELATTAFYERNVALYQEGKLDVETAAALKSFSTDMQMKVADNLLQLFGGYGYMTEYPISRFFVDARIQRIYGGTNEIMKEIVARGLIGKA 4KTO Chain:C ((31-408)) -FALGEEIDALRASVRRFASERIAPLADDADRSNAFPMSLWREMGELGLLGITADEAHGGAGLGYLAHCVAMEEISRASASVGL-SYGAHSNLCVNQINRNGKPAQKSRYLPKLISGEHVGALAMSEPGAGSDVVSMKLKADKRGDRYVLNGSKMWITNGPDADVLVVYAKTDP-----GITAFLVEKAFPGFSAGQKLDKLGMRGSNTSELIFTDCEVPEENVLGGVGEGVKVLMSGLDYERVVLSAGPLGIMAACLDVVVPYLHER--------EFQLMQGKLADMYVTMNAARAYVYAVAAACDRGETARKDAAGCILYAAEKATAMALEAIQALGGNGYTNDYPAGRLLRDAKLYEIGAGTSEIRRMLIGRELFAE-

General information: TITO was launched using: RESULT: Template: 4KTO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2162 -190876 -88.29 -522.95 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain C : 0.79 3D Compatibility (PKB) : -88.29 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_4KTO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KTO-query.scw PDB file : Tito_Scwrl_4KTO.pdb: