Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQKKSVLFQQLLPVIKQYQQSGFTHEKIVELLKDQHDLNLVTVKTFKSYLYRYAKVNPAMSKNTATLQSMPTSREIKKSSKLEHVCYDIRGPVLRAANEMEEQGH---------KIIKLNIGNPAPFGFEA--------------------------PQEIINDVALNLP-----NAIGYVDSKGIFPARKAICQYYQQKGILNMHVNDVYIGNGVSELIVMAMQGLL-DDGDEMLIPMPDYPLWTAAVNLSGGTAIHYKCDEENSWYPDIADIESKIT------SNTRGIVIINPNNPTGSVYPRHVLEQIVALAKKHDLILFADEIYDKIVYDGI-EHVAVASLA-------GDQLCISFNGLSKAY-RIAGFRSGWMAITG-DKSRAADYIEGLDMLASMRLCANVQAQYAIQTALGGY--------QSINDLIRPGGRLYEQRNIAWEMLNEIPGVSCVKPEGAMYCFPRLDPNIY--------PIEDDEKLMLDLLRAEKVLLVQGTGFNWP-TPDHFRVVFLPAENELREAIGRLGRFLANRR 3TCM Chain:A ((27-494)) -----------------------------------------------------------------------------NLNPKVLKCEYAVRGEIVIHAQRLQEQLKTQPGSLPFDEILYCNIGNPQSLGQQPVTFFREVLALCDHPDLLQREEIKTLFSADSISRAKQILAMIPGRATGAYSHSQGIHGLRDAIASGIASRDGFPANADDIFLTDGASPGVHLMMQLLIRNEKDGILVPIPQYPLYSASIALHGGALVPYYLNESTGWGLETSDVKKQLEDARSRGINVRALVVINPGNPTGQVLAEENQYDIVKFCKNEGLVLLADEVYQENIYVDNKKFHSFKKIVRSLGYGEEDLPLVSYQSVSKGYYGECGKRGGYFEITGFSAPVREQIY----KIASVNLCSNITGQILASLVMNPPKASDESYASYKAEKDGILASLARRAKALEHAFNKLEGITCNEAEGAMYVFPQICLPQKAIEAAKAANKAPDAFYALRLLESTGIVVVPGSGFGQVPGTWHFRCTILPQEDKIPAVISRFTVFHEAF-

General information: TITO was launched using: RESULT: Template: 3TCM.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 : 2000 20588 10.29 52.25 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 10.29 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_3TCM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TCM-query.scw PDB file : Tito_Scwrl_3TCM.pdb: