Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------MSLQRGIYQHYKGNLYQVFSVAKHSETEEELVVYQCLYG---DYSTWVRPLDMFT-ETVQMSDGSIVPRFK-LIQST----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4EPQ Chain:A ((34-472)) DYQFPLPQKNSELWIIQKKTLQDLSSGKQKLDSFQSLESILEILRDSKNQNDEKYFNLKAVFEQLDKEEQTYFLEQFIPKICQLVLKIKKKQLKNQIPKESKIYEAAFSREEISYYVSCMFLCILKDQDRKIYKDFRLIYLKDLVQQINIRRQEKIKCFYEYLKQALDFSEKESKEVVIFQRINCGQLEDYENWVDKLKAIKLKNVQLTDDKLIEDFPGTLQVDFANCDIGGGILGNGLVQEEIRFCVCPEMLVSLLVFDQSMEANEVIIMKGIKQYSDYQGYSNSFRFVKMGNSKIQKQKRTNPQTILAIDALCFNSSDNQFSEVNVSRELNKSYMGFKQEDQLKTISTGKWGCGAFLGVFDLKFAIQWIASSRSNKKMIICTFQDEQTTKQIQQVFDLYKQKNASIFLKLVMDYPNSKYMEDYTLLEYLIELGKEKA

General information: TITO was launched using: RESULT: Template: 4EPQ.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 : 123 5844 47.51 81.17 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 47.51 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.55 QMean score : -0.014

(partial model without unconserved sides chains): PDB file : Tito_4EPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EPQ-query.scw PDB file : Tito_Scwrl_4EPQ.pdb: