Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKQKLSVKNSITDYIEWLAQYGASADGGVTRLLYTKEWMDAQLAVKTEMSSFGLETRFDDVGNVFGRLSGTQSPDEVIVTGSHIDTVINGGKYDGAYGVLAAMLALKQLKETYGAPKKTLEAVSLCEEEGSRFPMTYWGSGNMTGVFSEQDAKEPRDESGVSLQTAMHESGFGKGVFQSAYRTD--ISAFVELHIEQGKTLEMSGRDLGIVTSIAGQRRYLVTLEGECNHAGTTSMKWRKDPLAASSRIIHELLLRSDELPDELRLTCGKITAEPNVANVIPGRVQFSIDIRHQHQHVLEQFHQDMVALINGICLQKGIRAVIDEYMRIEPVPMDERLKAAAFETALENGFSCEEMVSGAGHDAQMIGRRYPACMLFVPSRGGVSHSPKEYTSARQLEIGVRALTDLLYKLAY 3N5F Chain:B ((14-406)) ------------------LGEVGKQPSGGVTRLSFTAEERRAKDLVASYMREAGLFVYEDAAGNLIGRKEGTNPDATVVLVGSHLDSVYNGGCFDGPLGVLAGVEVVQTMNEHGVVTHHPIEVVAFTDEEGARFRFGMIGSRAMAGTLP-PEALECRDAEGISLAEAMKQAGLDPDRLPQAARKPGTVKAYVELHIEQGRVLEETGLPVGIVTGIAGLIWVKFTIEGKAEHAGATPMSLRRDPMAAAAQIIIVIEEEARRTGTTVG-TVGQLHVYPGGINVIPERVEFVLDLRDLKAEVRDQVWKAIAVRAETIAKERNVRVTTERLQEMPPVLCSDEVKRAAEAACQKLGYPSFWLPSGAAHDSVQLAPICPIGMIFVRSQDGVSHSPAEWSTKEDCAAGAEVLYHTVWQLA-

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 B - contact count / total energy / energy per contact / energy per residue : 2288 -54481 -23.81 -139.34 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -23.81 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.459

(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: