Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLGDNELTLTPIPGKSGKAYMGSYPDGKRIFVKMNTSP------------ILPGLAREQI-APQLLWSRRLADGRDMCAQEWLTGK-ILTPY--DMNRKQIVNILTRLHRSRPLMTQLSRLGYAMETPVDLLQSWQETAPDALR--KNHFISEVMADLRQTIPGFREDHATIVHGDVRHSNWIETDSGLIYLVDWDSVRLTDRMFDVAHMLCHY-ISEHQWKEWLTYYGYKYNQTVLSKLYWYGQLSYLSQISKYYMNQDLENVNREIHGLRHFRDKYGKRR 4R78 Chain:A ((38-280)) -----EVLSVEQLGGMTNQNYLAKTT-NKQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDI----EAGIKVNEYIESAITLDSTSIKTKFDKIAPILQTIHTSAKELRGE-------FAPFEEIKKYESLIEEQIPYANYESVRNAVFSLEKRLAD-LGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEFTSQEEETFLSHYESDQTPVSHEKIAIYKILQDTIWSLWTVYKEE----------------------

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 : 932 6623 7.11 29.56 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 7.11 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.425

(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: