Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALSALRKRVAYFYDPDIGSYYYGPGHPMKPQRIRMAHALVLSYDLYKHMEVYRPHKSIEPELCLFHSSDYISFLSSVSPENYKEFSLQLKNFNVGEATDCPVFDGLFTFQQACAGASIDAAKKLNHHQADICVNWSGGLHHAKRSEASGFCYINDIVLGILELLKYHARVMYIDIDIHHGDGVEEAFYVSHRVMTVSFHKFG-DFFPGTGDVTDVGASQGKYYAVNVPLNDGMDDDSFVALFKPVITKCVDVYRPGAIVLQCGADSLTGDRLGKFNLTIKGHAACVAFVKSLDIPLLVLGGGGYTIRNVARCWAYETGVVLDRHREMSPHVPLNDYYDYYAPDFQLHLTPSSIPNSNSPEHLEKIKTRVLSNLSYLEHAPGVQFAYVPPDFFGEDNDDEDEFMQNQVDNEGGGRAAGATAHTAANAPYRIRRKDYANDFEDMADRDQKVPI 3F07 Chain:A ((35-376)) ------------------------------PKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHP---DSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILG--KTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHV---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3F07.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 : 2016 -135246 -67.09 -396.61 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -67.09 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_3F07.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3F07-query.scw PDB file : Tito_Scwrl_3F07.pdb: