Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLIFPLLNDLSRKIIHIDMDAFFAAVEIKDNPKLRGKPVIIGSDPRQTGGRGVVSTCSYEARAFGVHSAMSSKEAYERCPQAVFISGNYEKYKAVGLQIRAIFKRYTDLIEPMSIDEAYLDVTENKLGIKSAVKIARLIQKDIWQELHLTASAGISYNKFLAKMASDYQKPHGLTVILPEQAEDFLKQMDISKFHGVGKKTVERLHQMGVFTGADLLEVPEVTLIDRFGRLGYD-LYRKARGIHNSPVKSNRIRKSIGKEKTYGKILRAEEDIKKELTLLSEKVALNLHQQ-EKAGKIVILKIRYEDFSTLTKRKSIAQKTQDASQISQIALQLYEELSEKERGVRLLGITMTGF 2JEJ Chain:A ((9-346)) -------------VLFVDFDYFYAQVEEVLNPSLKGKPVVVCVFSGRFEDSGAVATANYEARKFGVKAGIPIVEAKKILPNAVYLPMRKEVYQQVSSRIMNLLREYSEKIEIASIDEAYLDISDKVRDYREAYNLGLEIKNKILEKEKITVTVGISKNKVFAKIAADMAKPNGIKVIDDEEVKRLIRELDIADVPGIGNITAEKLKKLGINKLVDTLSIEFDKLKGMIGEAKAKYLISLARDEYNEPIRT-RVRKSIGRIVTMKRNSRNLEEIKPYLFRAIEESYYKLDKRIPKAIHVVAVT---EDLDIVSRGRTFPHGISKETAYSESVKLLQKILEEDERKIRRIGVRFSKF

General information: TITO was launched using: RESULT: Template: 2JEJ.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 : 1619 -131785 -81.40 -392.22 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -81.40 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_2JEJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JEJ-query.scw PDB file : Tito_Scwrl_2JEJ.pdb: