Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRILIVTGQSGSGKSSALQVLEDLGYYCIDNLPLALLPEIVAKLDHENNLEQLALGVDVRSTRADMQEFDHVFEQLQKHGTVDVIYLTTQDQDLIARFSASRRPHPLANRFKSLLQCIHEEKQLLIPIQFCATVHIDTTDKSVHDLKHILLSKLGQSDNLIVILQSFGYKHGIPLDADYVFDVRHLPNPHWDLELRRFSGLDEPVKQFLEASPQANEMFEDILHFLKKWLPAFAEGHRHYMTISIGCTGGQHRSVYMVDRLKQALEAEWSVQVLHREMKHWS 1JJV Chain:A ((1-205)) MTYIVGLTGGIGSGKTTIANLFTDLGVPLVD--------------------ADVVAREVVAKDSPLLSKIVEHF-----------------GAQILNRAALRERVFNHDEDKLWLNNLLHPAIRERMKQKLA-----------------------EQTAPYTLFVVPLLIENKLTALCDRILVVD----VSPQTQLARSANFEQIQRIMNSQVS--------------------QQERLKWADDVINNDAELAQNLPHLQQKVLELHQFYLQQAENKN-----

General information: TITO was launched using: RESULT: Template: 1JJV.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 : 821 -103310 -125.83 -532.53 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -125.83 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.346

(partial model without unconserved sides chains): PDB file : Tito_1JJV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JJV-query.scw PDB file : Tito_Scwrl_1JJV.pdb: