Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQQVKDDIQRVFQLQKKQQKALRASTAEQRREKLQRFLDSVIAHEEEIIEAIRKDVRKPYHEVKKAEIEGTKKAIRDNMNNLEQWMAPKEVGSS-LSPDANGILMYEPKGVTLILGPWNYPFMLTMAPLAASLAAGNSAIVKLSDFTMNTSNIAAKVIRDAFDEKEVAIFEGEVEVATELLDQPFDHIFFTGSTNVGKIVMTAAAKHLASVTLELGGKSPTIIDSEYDLMDAAKKIAVGKFVNAGQTCIAPDYLFIKKDVQDRFAGILQTVVNAGFMEDDHTPDRSKFTQIVNDRNFNRVKDLFDDAIERGAEVVFGGVFDASDRTISPTVLKNVTPDMKIMQEEIFASILPMMNYEDIDEVIDYVNDRDKPLALYVFSKNQDLIDNVLQHTTSGNAAINDVVVHFSDVNLPFGGVNTSGIGSYHGVYGFKEFSHEKGVFIQAAE 3SZA Chain:A ((18-448)) ------SKISEAVKRARAAFSSGRTRPLQFRIQQLEALQRLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAADEPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNAVVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHILYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAWGKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEF-YGED-AKKSRDYGRIISARHFQRVMGLIE-----GQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEEIFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSGGVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRP--

General information: TITO was launched using: RESULT: Template: 3SZA.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 : 2473 -58193 -23.53 -135.33 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -23.53 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_3SZA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SZA-query.scw PDB file : Tito_Scwrl_3SZA.pdb: