Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MTTENQNPLVLDKNEEISQQKADDIRLQL---RQEPEVKRLAQQIDVKNQMELLE--YGKEPAVEISKFSDRILGMMKTTSVTDSGTMLTQLG---------KIMDRFDKNDFDEPKGLMAKIFKRGGSMIEKIFKKYQTLGGEIEKIHVEISKYKDEMTKTNYTLDEM-YENNIKYYMELEKYVVAGQMKLEEMQSILPSYEEKAASGNQLAQMQLDTLRNGIQALEERVYDLDMARMVAL-QTAPQIRLLQRGNAKLIGKINSAFIITIPIFKNGIIQAVTVKRQKLVADSMSELDRRTNEMLKRNAENISSQSVEIARMAGRPSIDIETIESSWNTIVSGMQETKQIEEENKRLREDGARRIAQLQDNIKKAALQQ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3JBL Chain:A ((93-1024)) VTEEDLNVLAQNLKDLYNSPAFLNFYPLGEDIDIIFNLEKTFTEPIMWKKDHRHHRVEQLTLGSLLEALKSPCLIEGESGKGKSTLLQRIAMLWASGGCRALKGFRLVFFIHLRSARGGLFETLYDQLLNIPDFISKPTFKALLLKLHKEVLFLLDGYNEFHPQNCPEIEALIKENHRFKNMVIVTTTTECLRHIRHVGALTAEVGDMTEDSAKDLIEAVLVPDQVERLWAQIQESRCLRNLMKTPLFVVITCAIQMGRQEFQAHTQTMLFQTFYDLLIQKNSHRYRGGASGDFARSLDYCGDLALEGVFAHKFDFEPEHGSSMNEDVLVTIGLLCKYTAQRLKPTYKFFHKSFQEYTAGRRLSSLLTSKEPEEVSKGNSYLNKMVSISDITSLYGNLLLYTCGSSTEATRAVMRHLAMVYQHGSLQGLSVTKRPLWRQEIQSLRNTTEQDVLKAINVNSFVECGINLFSESMSKSDLSQEFEAFFQGKSLYINSENIPDYLFDFFEYLPNCASALDFVKLDFYERATPPRAVSLFFNWKQ-----------EFKTLEVTLRDINK-LNKQDIKYLGKIFSSATNLRLHIKRCAAMAGRLSSVLR--------------TCKNMHTLMVEASPLTTDDEQYITSVT-GLQNLSIHRLHTQQLPGGLIDSL--------GNLKNLERLILDDIRMNEEDAKNLAEGLRSLKKMRLLHLTHLSDIGEGMDYIVKSLSEESCDLQEMKLVACCLTANSVKVLAQNLHNLIKLSILDISENYLEKDGNEALQELIGRLGVLGELTTLMLPWCWDVHTSLPKLLKQLEGTPGLAKLGLKNWRLRDEEIKSLGEFLEMNPLRDLQQLDLAGHCVSSDGWLYFMNVFENLKQLVFFDFSTEEFLPDAALVRKLSQVLSKLTLLQEVKLTGWEFDDYDISAIKGTFKLVTA

General information: TITO was launched using: RESULT: Template: 3JBL.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 : 1566 47646 30.42 145.26 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 30.42 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.051

(partial model without unconserved sides chains): PDB file : Tito_3JBL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JBL-query.scw PDB file : Tito_Scwrl_3JBL.pdb: