Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQNKLHYTTMIMTQFPDISIQSVESLGEGFRNYAILVNGDWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRSDGN--PFVGYRKVQGQILGEDGMAVFPDDAKDRLALQLAEFMNELSAFPVETAISAGV----PVTNLKNKIL--LLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLED---CGELFTRQVMAYRGEVDLDTHIRKVSLFVTFDQVSYLLEGLRARDQDWISEGLELLEEDKANNFGANSA 5C4K Chain:A ((37-312)) ---------------YPDFTINTIQISGKGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDIL--------ENEIYFKYYPCLIHNDFSSDHIL--FDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGL----------------

General information: TITO was launched using: RESULT: Template: 5C4K.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 : 1133 938 0.83 3.54 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 0.83 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_5C4K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5c4k-query.scw PDB file : Tito_Scwrl_5C4K.pdb: