Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASYALLEQARHLQALVLDVDGILSDGFVTLTNTGDEIKSFDIRDGLGMKLAQQAGMKVIIITGRKSNIVEKRMSDLGVDLVFQGREDKGSALREACAQFNILPSDCLYMGDDWPDLSAFAIAGMSVTVPNGHEEVRRRADLVTQAMGGRGAVREVCDMLLIAKGIYQELLEKYLAVPH 4UMF Chain:B ((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 B - contact count / total energy / energy per contact / energy per residue : 941 -90752 -96.44 -536.99 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -96.44 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.622

(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: