Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASYALLEQARHLQALVLDVDGILSDGFVTLTNTGDEIKSFDIRDGLGMKLAQQAGMKVIIITGRKSNIVEKRMSDLGVDLVFQGREDKGSALREACAQFNILPSDCLYMGDDWPDLSAFAIAGMSVTVPNGHEEVRRRADLVTQAMGGRGAVREVCDMLLIAKGIYQELLEKYLAVPH 4UMF Chain:A ((24-192)) -----IYQKAKHIKLFAMDVDGILSDGQIIYNSEGTETKAFYVQDGLGLQALKQSGIILAIITGRSSAMVDRRAKELGISHIIQGQDDKLTALVGLTKKLGIELSHCAYIGDDLPDLKAVREAGFGISVPNGCEQTRAVSDYITTKTGGNGAVREVCELILKAQNNFDAFIATF-----

General information: TITO was launched using: RESULT: Template: 4UMF.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 : 940 -98312 -104.59 -581.73 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -104.59 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.588

(partial model without unconserved sides chains): PDB file : Tito_4UMF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UMF-query.scw PDB file : Tito_Scwrl_4UMF.pdb: