Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALSALRKRVAYFYDPDIGSYYYGPGHPMKPQRIRMAHALVLSYDLYKHMEVYRPHKSIEPELCLFHSSDYISFLSSVSPENYKEFSLQLKNFNVGEATDCPVFDGLFTFQQACAGASIDAAKKLNHHQADICVNWSGGLHHAKRSEASGFCYINDIVLGILELLKYHARVMYIDIDIHHGDGVEEAFYVSHRVMTVSFHKFG-DFFPGTGDVTDVGASQGKYYAVNVPLNDGMDDDSFVALFKPVITKCVDVYRPGAIVLQCGADSLTGDRLGKFNLTIKGHAACVAFVKSLDIPLLVLGGGGYTIRNVARCWAYETGVVLDRHREMSPHVPLNDYYDYYAPDFQLHLTPSSIPNSNSPEHLEKIKTRVLSNLSYLEHAPGVQFAYVPPDFFGEDNDDEDEFMQNQVDNEGGGRAAGATAHTAANAPYRIRRKDYANDFEDMADRDQKVPI 3EZT Chain:A ((35-376)) ------------------------------PKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQ----------DSIEYGLGYECPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILG--KTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHV---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3EZT.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 : 1971 -137860 -69.94 -412.75 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -69.94 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.497

(partial model without unconserved sides chains): PDB file : Tito_3EZT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EZT-query.scw PDB file : Tito_Scwrl_3EZT.pdb: