Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVRRLVPFNLYAKKGRF-----VMASEALATQYVSENTTIPVPRVLDVIALPS-GKGKFLLMTGVKGKEYGPTGVTL-YKMAENQRAVFTETLRGWFDQLRCLRPPDDHTISGFMVTGVSSYIIRHPETVDPFASQDEFHAQRFCQPWEPYDDALRAAL----EKRAKMRYKICFTHGDITPHNILVDDN-LRPCALVDWECAGWMPEYWEYTRALYIRERYLGWKKVFTDIFPNYEAELTIYGSIITHDMPWYYSLNVVS 3N4U Chain:A ((40-255)) ------NRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLT---PLLLNNLPKQSQNQAAKDLARFLSELHSINISG-----FKSNLVLDFREKI----NE---DNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDE--EYGMEFVSKILNHYKHK----------------------

General information: TITO was launched using: RESULT: Template: 3N4U.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 : 763 17880 23.43 87.65 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 23.43 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.283

(partial model without unconserved sides chains): PDB file : Tito_3N4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3n4u-query.scw PDB file : Tito_Scwrl_3N4U.pdb: