Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASYALLEQARHLQALVLDVDGILSDGFVTLTNTGDEIKSFDIRDGLGMKLAQQAGMKVIIITGRKSNIVEKRMSDLGVDLVFQGREDKGSALREACAQFNILPSDCLYMGDDWPDLSAFAIAGMSVTVPNGHEEVRRRADLVTQAMGGRGAVREVCDMLLIAKGIYQELLEKYLAVPH 4UM5 Chain:A ((24-192)) -----IYQKAKHIKLFAMDVDGILSDGQIIYNSEGTETKAFYVQDGLGLQALKQSGIILAIITGRSSAMVDRRAKELGISHIIQGQDDKLTALVGLTKKLGIELSHCAYIGDDLPDLKAVREAGFGISVPNGCEQTRAVSDYITTKTGGNGAVREVCELILKAQNNFDAFIATF-----

General information: TITO was launched using: RESULT: Template: 4UM5.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 : 917 -89197 -97.27 -527.79 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -97.27 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.608

(partial model without unconserved sides chains): PDB file : Tito_4UM5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UM5-query.scw PDB file : Tito_Scwrl_4UM5.pdb: