Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALSALRKRVAYFYDPDIGSYYYGPGHPMKPQRIRMAHALVLSYDLYKHMEVYRPHKSIEPELCLFHSSDYISFLSSVSPENYKEFSLQLKNFNVGEATDCPVFDGLFTFQQACAGASIDAAKKLNHHQADICVNWSGGLHHAKRSEASGFCYINDIVLGILELLKYHARVMYIDIDIHHGDGVEEAFYVSHRVMTVSFHKFGDFFPGTGDVTDVGASQGKYYAVNVPLNDGMDDDSFVALFKPVITKCVDVYRPGAIVLQCGADSLTGDRLGKFNLTIKGHAACVAFVKSLDIPLLVLGGGGYTIRNVARCWAYETGVVLDRHREMSPHVPLNDYYDYYAPDFQLHLTPSSIPNSNSPEHLEKIKTRVLSNLSYLEHAPGVQFAYVPPDFFGEDNDDEDEFMQNQVDNEGGGRAAGATAHTAANAPYRIRRKDYANDFEDMADRDQKVPI 5IWG Chain:B ((3-367)) -------KKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGE--DCPVFDGLFEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIRNVARCWTYETAVALD--CEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTPEYMEKIKQRLFENLRML---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IWG.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 : 2283 -274153 -120.08 -751.10 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -120.08 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.559

(partial model without unconserved sides chains): PDB file : Tito_5IWG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IWG-query.scw PDB file : Tito_Scwrl_5IWG.pdb: