Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHFKNYQISHDILRALEGLGYTEPTKVQQSVIPAALE--RKDLVVKSQTGSGKTASFGIPLCELANWD----ENKPQALILTPTRELAVQVKEDITNIGRFK----RIKATAVFGKSSFDKQKAEL-KQKSHIVVGTPGRVLDHIEKG-TLPLDRLSYLVIDEADEMLNMGFIEQVEAIIKHLP-------TERTTMLFSATLPQDIEKLSRQYMQNPEHIEVKAAGL----TTRNIEHAVIQVR-EENK----FSLLKDVLM-TENPDSCIIFCRTKEHVNQLTDELDDL---GYPCDKIHGGMIQEDRFDVMNEFKRGEYRYLVATDVAARGIDIENISLVINYDLPLEKESYVHRTGRTGRAGNKGKAISFVTAFEKRFLADIEEYIGFEIQKIEAPSQEEVARKKPEFLAKLNDRPESKKDKSEELNKDIMKLYFNGGKKKKIRAVDFVGTIAKIDGVSADDIGIITIMDNASYVEILNGKGPHVLKVMKNTTVKGKQLKVNKANK 3SQW Chain:A ((27-408)) -------VLDKEIHKAITRMEFPGLTPVQQKTIKPILSSEDHDVIARAKTGTGKTFAFLIPIFQHLINTKFDSQYMVKAVIVAPTRDLALQIEAEVKKIHDMNYGLKKYACVSLVGGTDFRAAMNKMNKLRPNIVIATPGRLIDVLEKYSNKFFRFVDYKVLDEADRLLEIGFRDDLETISGILNEKNSKSADNIKTLLFSATLDDKVQKLANNIMNKKECLFLDTVDKNEPEAHERIDQSVVISEKFANSIFAAVEHIKKQIKERDSNYKAIIFAPTVKFTSFLCSILKNEFKKDLPILEFHGKITQNKRTSLVKRFKKDESGILVCTDVGARGMDFPNVHEVLQIGVPSELANYIHRIGRTARSGKEGSSVLFICKDELPFVRELED--------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3SQW.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 : 1800 25607 14.23 73.16 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 14.23 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3SQW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SQW-query.scw PDB file : Tito_Scwrl_3SQW.pdb: