Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLP--LPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMED-DEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIKIK 5IQB Chain:D ((19-298)) ------------IEHYFDNFKVDSIEIIG----SVAYLVNNEYIFKTKFS----KGYAKEKAIYNFLNTNLETNVKIPNIEYSYISDE---LSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDI-SECTIDNKQNVLEEYILLRETIYNDLTDIEKDYIESF-MERLNATTVFEGKKCLCHNDFSCNHLLLDG-NNRLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIGTNFGEDILRMYGNIDIEKAKEYQDIVEEYYPIETIVYGIKNIKQEFIENGRKEI------

General information: TITO was launched using: RESULT: Template: 5IQB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1222 21832 17.87 81.16 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : 17.87 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_5IQB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqb-query.scw PDB file : Tito_Scwrl_5IQB.pdb: