Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPGRSCVALVLLAAAVSCAVAQHAPPWTEDCRKSTYPPSGPTYRGAVPWYTINLDLPPYKRWHELMLDKAPVLKVIVNSLKNMINTFVPSGKIMQVVDEKLPGLLGNFPGPFEEEMKGIAAVTDIPLGEIISFNIFYELFTICTSIVAEDKKGHLIHGRNMDFGVFLGWNINNDTWVITEQLKPLTVNLDFQRNNK-------------TVFKASSF--AGYVGMLTGFKPGLFSLTLNERFSINGGYLGILEWILGKKDVMWIGFLTRTVLENSTSYEEAKNLLTKTKIL----------APAYFILGGNQSGEGCVITRDRKESLDVYELDAKQGRWYVVQTNYD----R------WKH----------------------------P--FFLDDRRTPAKMCLNRTS---QENISFETMYDVLSTK----PVL------NKLTVYTTLIDVTKGQFETYLRDCPDPCIGW 5HKE Chain:A ((3-295)) -----------------------------------------------------------------------------------------------------------------------------------------------TAITLNG--NSNYFGRNLDLDFSY---------------GEE---VIITPAEYEFKFRKEKAIKNHKSLIGVGIVANDYPLYFDAINEDGLGMAGLNFPGN-AYY---SDALENDKDNITPFEFIPWILGQCSDVNEARNLVEKINLINLSFSEQLPLAGLHWLIA-DREK-SIVVEVTKSGV-HIYD------NPIGILTNNPEFNYQMYNLNKYRNLSISTPQNTFSDSVDLKVDGTGFGGIGLPGDVSPESRFVRATFSKLNSSKGMTVEEDITQFFHILGTVEQIKGVNKTESGKEEYTVYSNCYDLDNKTLYYTTY---------

General information: TITO was launched using: RESULT: Template: 5HKE.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 : 967 22440 23.21 106.86 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 23.21 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_5HKE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HKE-query.scw PDB file : Tito_Scwrl_5HKE.pdb: