Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MIFDKDDFKAYDADLWNAIAKEEERQQNNIELIASENVVSKAVMAAQGSILTNKYAEGYPGRRYYGGTDVVDVVETLAIERAKEIFGAK----FANVQPHSGSQANCAAYMSLIEPGDTVMGMDLAAGGHLTHG-----APVSFSGQTYNFLSYSVDPETELLDFDAILKQAQEVKPKLIVAGASAYSQIIDFSKFREIADAVGAKLMVDMAHIAGLVAAGLHPSPVPYAHITTTTTHKTLRGPRGGLILT-----------NDEE---LAKKINSAIFPGIQGGPLEHVVAAKAVSFKEVLDPAFKEYAANVIKNSKAMADVFLQDPDFRIISGGTENHLFLVDVTKVVENGKVAQNLLDEVNITLNKNSIPYETLSPFKTSGIRIGAAAITARGFGEEESRKVAELIIKTLK-----------------------NSENEAVLEEVRSAVKELTDAFPLYED 1BJ4 Chain:A ((1-470)) DADLWSSHDAMLAQPLKDSDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELETLCQKRALQAYKLDPQCWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPKLIIAGTSCYSRNLEYARLRKIADENGAYLMADMAHISGLVAAGVVPSPFEHCHVVTTTTHKTLRGCRAGMIFYRKGVKSVDPATGKEILYNLESLINSAVFPGLQGGPHNHAIAGVAVALKQAMTLEFKVYQHQVVANCRALSEALTE-LGYKIVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDR-SALRPSGLRLGTPALTSRGLLEKDFQKVAHFIHRGIELTLQIQSDTGVAATLKEFKERLAGDKYQAAVQALREEVESFASLFPLPGL

General information: TITO was launched using: RESULT: Template: 1BJ4.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 : 2321 14832 6.39 35.65 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 6.39 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_1BJ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BJ4-query.scw PDB file : Tito_Scwrl_1BJ4.pdb: