Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKQKLSVKNSITDYIEWLAQYGASADGGVTRLLYTKEWMDAQLAVKTEMSSFGLETRFDDVGNVFGRLSGTQ-SPDEVIVTGSHIDTVINGGKYDGAYGVLAAMLALKQLKETYGAPK-KTLEAVSLCEEEGSRFPMTYWGSGNMTGVFSEQDAKEPRDESGVSLQTAMHESGFGKGV--FQ-SAYRTDISAFVELHIEQGKTLEMSGRDLGIVTSIAGQRRYLVTLEGECNHAGTTSMKWRKDPLAASSRIIHELLLRSDEL---PDELRLTCGKITAEPNVANVIPGRVQFSIDIRHQHQHVLEQFHQDMVALINGICLQKGIRAVIDEYMRIEPVPMDERLKAAAFETALENGFSCEEMVSGAGHDAQMIGRRYPACMLFVPSRGGVSHSPKEYTSARQLEIGVRALTDLLYKLAY 3N5F Chain:A ((3-406)) -------QGERLWQRLMELGEVGKQPSGGVTRLSFTAEERRAKDLVASYMREAGLFVYEDAAGNLIGRKEGTNPDA-TVVLVGSHLDSVYNGGCFDGPLGVLAGVEVVQTMNEH-GVVTHHPIEVVAFTDEEGARFRFGMIGSRAMAGTLP-PEALECRDAEGISLAEAMKQAG-LDPDRLPQAARKPGTVKAYVELHIEQGRVLEETGLPVGIVTGIAGLIWVKFTIEGKAEHAGATPMSLRRDPMAAAAQIIIVI----EEEARRTGTTVGTVGQLHVYPGGINVIPERVEFVLDLRDLKAEVRDQVWKAIAVRAETIAKERNVRVTTERLQEMPPVLCSDEVKRAAEAACQKLGYPSFWLPSGAAHDSVQLAPICPIGMIFVRSQDGVSHSPAEWSTKEDCAAGAEVLYHTVWQLA-

General information: TITO was launched using: RESULT: Template: 3N5F.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 : 2256 -6012 -2.66 -15.18 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -2.66 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_3N5F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N5F-query.scw PDB file : Tito_Scwrl_3N5F.pdb: