Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQAQFEKVIEVLFPDIIIQEVTAYEKGWDNDIFIVNKEIVFRFPRSEEVASKVKDEIILLKHLAHKEPKLDIPRYKGIEMDGNLKCVKYNFM---KGKSLSEIKNSRLDLHS----AELLGDFLSRLHSIELSALKETNITSFHTDTYWENLYESAKTYVFPNITHSERAEIQQFYEDFSNNPIYSNVNKAVIHGDLTAANILYNKEEECVSGIIDFTDAQIADPAFDFAGLY---WAYGPEFTKKLLTYYDGKDKTGIFE--RVQSFYGLQPIFHELIYAVKENHDVDWGSALERFQYLNSHR 4DTA Chain:B ((8-287)) ----QVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLP-LPIPEVVFTGMPSETYQMSFAGMTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDN--KKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWS---FEKIIYG-KEYGYMDW--------------

General information: TITO was launched using: RESULT: Template: 4DTA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1203 -30602 -25.44 -114.18 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -25.44 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.403

(partial model without unconserved sides chains): PDB file : Tito_4DTA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dta-query.scw PDB file : Tito_Scwrl_4DTA.pdb: