Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKQKLSVKNSITDYIEWLAQYGASADGGVTRLLYTKEWMDAQLAVKTEMSSFGLETRFDDVGNVFGRLSGTQSPDEVIVTGSHIDTVINGGKYDGAYGVLAAMLALKQLKETYGAPKKTLEAVSLCEEEGSRFPMTYWGSGNMTGVFSEQDAKEPRDESGVSLQTAMHESGFGKGVFQSAYRTDISAFVELHIEQGKTLEMSGRDLGIVTSIAGQRRYLVTLEGECNHAGTTSMKWRKDPLAASSRIIHELLLRS--DELPDELRLTCGKITAEPNVANVIPGRVQFSIDIRHQHQHVLEQFHQDMVALINGICLQKGIRAVIDEYMRIEPVPMDERLKAAAFETALENGFSCEEMVSGAGHDAQMIGRRYPACMLFVPSRGGVSHSPKEYTSARQLEIGVRALTDLLYKLAY 5I4M Chain:B ((34-421)) -------------DSLMEVAKIGATPKGGVCRLALTDLDKAARDLIVGWAKAAGCTVTVDTMGNVFMRRAGRVADAAPVVTGSHADSQPTGGRFDGIYGVLGGLEVIRSLNDHGIETEHPVEVVIWTNEEGSRFAPAMVASGVFAGVFPLEYGLSRKDVDGKTIGEELARIGYA-GDAPCGGRKLHAAF-ELHIEQGPILEAE-KTIGVVTDAQGQRWYEITFTGQEAHAGPTPMPRRRDALLGASRVV-DLVNRIGLDHAPYGC-ATVGMMQVHPNSRNVIPGRVFFTVDFRHPDDAVLAKMDAALRDGVARIAADIGLDTALEQIFYYAPIAFDSACVAAVRAAADRFGYSHRDIVSGAGHDACYLAQVAPTSMVFVPCIDGISHNEIEDATPAWIEAGANVL---------

General information: TITO was launched using: RESULT: Template: 5I4M.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 -92645 -40.49 -240.64 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -40.49 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_5I4M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5I4M-query.scw PDB file : Tito_Scwrl_5I4M.pdb: