Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQAQFEKVIEVLFPDIIIQEVTAYEKGWDNDIFIVNKEIVFRFPRSEEVASKVKDEIILLKHLAHKEPKLDIPR--YKGIEMDG-NLKCVKYNFMKGKSLSEIKNSRLDLHS----AELLGDFLSRLHSIELSALKETNITSFHTDTYWENLYESAKTYVFPNITHSERAEIQQFYEDFSNNPIYSNVNKAVIHGDLTAANILYNKEEECVSGIIDFTDAQIADPAFDFAGL---YWAYGPEFTKKLLTYYDGKDKTGIFERVQSFYGLQPIFHELIYAVKENHDVDWGSALERFQYLNSHR 4DFU Chain:A ((29-286)) ----QVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLP-LPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDN--KKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYR--------------------------------------

General information: TITO was launched using: RESULT: Template: 4DFU.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 : 1088 -13597 -12.50 -54.82 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -12.50 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.411

(partial model without unconserved sides chains): PDB file : Tito_4DFU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dfu-query.scw PDB file : Tito_Scwrl_4DFU.pdb: