Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKGKTILVTGGTGSIGSEIVRQLLKYEPKAIRIYSRGEEKQFYMQQELSNHTNLRFLIGDIRDSQRIDYACRDV--DIIFHAAAMKHVPASEYNPMEAVKTNVMGTQNVIDAAIKN-----NVKHFVGISTDKVVSPTNTMGATKLLSEKLIIAANQYKGKTETIFSCVRFGNVMGSSGSVIPLFSKQIKNNKDITLTDVDMTRFMMSIPDAARLVLSAAMNSKFGETYVLKMPAINILTLAQSLIKIYNDTHDEKYRGEIKVVGIRPGEKLYEELMTTDEIERSYENDKMYIIPPHYH---ATDELYKDYEKIKITAYSSDATELMSGQEFIRIAKENNVVTW 4TQG Chain:A ((6-300)) ----KTIMIFGGSGSLGNRLIETYIN--NNIIVNYSRDESKHWSMELKYKSDK-LKNIIGDIRDFEKVQQSIMRINPDIIIIAAALKHIDRCEYEINECLDTNIKGLQNVLKVTEINRSNLSNLKAVCFVSTDKACSPVNSYGMSKAICETLVVEKSKYIKDIK--YVCVRYGNVLN------------------FTLTHTSMTRFIMTLDDSVKLIEYAIINGNSGEIVIPKLNSMYI----KDMIELFAD----KY--PIVITGLRSGERMYESLINDTQSMKTVPKGDYYHILPTYDPTIVTEEFYE-----------------------------------

General information: TITO was launched using: RESULT: Template: 4TQG.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 : 1376 -47831 -34.76 -181.87 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -34.76 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.403

(partial model without unconserved sides chains): PDB file : Tito_4TQG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TQG-query.scw PDB file : Tito_Scwrl_4TQG.pdb: