Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MEMSFIAQDFEKL------DIITVLEGRTQAIIRNHFLRY----------DRVVRCRVKIITMDMFSPYYDLARQLFPCAKIVLDRFH--IVQHLSRAMSRVRVQIMNQLDRKSHEYKAIKRYWKLIQQDSRKLSDKHFYRPTFRMHLTNKEILDKLLSYSQDLKHHYQLY-------QLLLFHFQNKEPEKFFGLIEDNLKQVHPLFQTVFKTFLKDKEKIVNALQLPYSNAKLEAT---NNLIKLIKRNAFGFRNFENFKKRIFIALNIKKERTKFVLSRA-- 5LJ5 Chain:O ((12-590)) VWTNVEDQILKAAVQKYGTHQWSKVASLLQKKTARQSELRWNEYLNPKLNFTEFSKEEDAQLLDLARELPNQWRTIADMMARPAQVCVERYNRLLEDEEKEMLAEARARLLNTQGK-----KATRKIRERMLEESKRIAELQKRRE-LKQAGINVAIKKPKKKYGTDIDYNEDIVYEQAPMPGIYDTSTEDRQIKKKFEQFERKTEVLLESIQSKVESIEQLQRKLQHVQPLEQQNNEMCSTLCHHSLPALIEGQRKYYADYYAYRQEIRSLEGRRKRLQAMLNSSSSI

General information: TITO was launched using: RESULT: Template: 5LJ5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain O - contact count / total energy / energy per contact / energy per residue : 426 17591 41.29 70.64 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain O : 0.67 3D Compatibility (PKB) : 41.29 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.180

(partial model without unconserved sides chains): PDB file : Tito_5LJ5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LJ5-query.scw PDB file : Tito_Scwrl_5LJ5.pdb: