Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVYTELSEQDVMHLLADYDLGVYVRHQGISAGVENTNYFVSTDQHELVLTVFEKHS--ADELPFFLQLGEHLHARHCKVPQPFRDRDGQFLQIVKGKPAVFIERLTGQ-HVQA--SPACALKIAQALADIHNATLSFQTDQRHSHN-RGWIERQASRVLPSLSAPDQQLMNAALAIIRAIPD--DLPEGVIHADLFHDNALFDG-NEVAGIIDWYFAGRDSYALDIAITMNDWCLDTQHQVDPEQCAAFIERYHQRRSLSSAERNALPKLQVQSALRFWISRLLAQAEHGESNDSITVKDPIPMREQCRQLLTRVREPGNEHR 4R78 Chain:A ((38-260)) ----------------------EVLSVEQL-GGMTNQNYLAKTTNKQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDIE---------AGIKVNEYIESAITLDSTSIKTKFDKIAPILQTIHTSAKELR-GEFAPFEEIKKYESLIEEQI---PYANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQGR-LYLIDWEYSSMNDPMWDLAALFLESE------FTSQEEETFLSHYESDQTPVSHEKI----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R78.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 : 851 14773 17.36 69.03 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 17.36 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.293

(partial model without unconserved sides chains): PDB file : Tito_4R78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r78-query.scw PDB file : Tito_Scwrl_4R78.pdb: