Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQAQFEKVIEVLFPDIIIQEVTAYEKGWDNDIFIVNKEIVFRFPRSEEVASKVKDEIILLKHLAHKEPKLDIPRYKGIEMDGNLKCVKY-NFMKGKSLSEIKNSRLDL------HSAELLGDFLSRLHSIELSALKETNITSFHTDTYWENLYESAKTYVFPNITHSERAEIQQFYEDFSNNPIYSNVNKAVIHGDLTAANILYNKEEECVSGIIDFTDAQIADPAFDFAGLY---WAYGPEFTKKLLTYYDGKDKTGIFE--RVQSFYGLQPIFHELIYAVKENHDVDWGSALERFQYLNSHR 3SG9 Chain:A ((8-287)) ----QVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLP-LPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDN--KKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWS---FEKIIYG-KEYGYMDW--------------

General information: TITO was launched using: RESULT: Template: 3SG9.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 : 1191 -29502 -24.77 -110.08 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -24.77 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.392

(partial model without unconserved sides chains): PDB file : Tito_3SG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3sg9-query.scw PDB file : Tito_Scwrl_3SG9.pdb: