Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEIDMNTMDTFHQMDKSHQGYITEFNDKSEFEQRINTAWRRAEPEAVEELLQAAAVSDDLDHKIYDLAFNLAHNLRERKTSSGKAGIVQGLLQEFSLSSQEGVALMCLAEALLRIPDTATRDLLIRDKINQGNWKEHVGQSSLMFVNAAAWGLMLTGKLMETPKQTSLSSVLTGLLARSGRGIIRKAVDVAMRMMGEQFVTGETIEEAVDHAKVLEDKGFRYSYDMLGEAALTDHDAERYFNDYTQAIHAIGKASNGKGVYDGPGISIKLSALHPRYQRAQIERVHKELYGKVFELARLAKQYNIGLNIDAEESERLEISLELLERLCFEPELANWKGIGFVIQAYQKRCFFVVDYIIDLAKRSQKRLMIRLVKGAYWDSEIKKAQIEGMDDYPVFTRKVHTDLSYIACAKKLLAAPEFIYPQFATHNAQTLATIYHLADPSKYYAGQYEFQCLHGMGEPLYEQVVGPRQQNKLGVPCRIYAPVGNHETLLAYLVRRLLENGANTSFVNRIADKTLKVEDLIQSPIYDIRNAAKLEGSVGLKHPSIPLPLDMYGTLRKNSKGYDLANDTPLAALDSTAQELRNRIWQSHPLLANTDSLEQGHSVAITNPAQNDEIVGYVQEADLKHVEIALTAAEQTQSEWSNTPKDQCAQYLKRAADLMESRIQELMVLLCRESGKTYANAIAEVREAVDFLRYYA--------TQVENLPA-----NTVIQPLGTVLCISPWNFPLAIFSGQIAAALVSGNCVIAKPAEQTPLIAAQAVQILWEAGIPHGAVQLLPGRGETVGAQLSQDSRIDGIMFTGSTEVA-KILQKTVAKRLSENGQSIPLIA--ETGGQNAMIVDSSALTEQVVLDVVSSAFDSAGQRCSALRILCVQEDSAATVIKMLKGAMQQLIVGNPAILKTDIGPVIDDEAKQTIDQHIQKMKSKGYPVHQLMFGATSQTELDKGTFVVPTAI-ELPNLDDL-QREVFGPVLHIITYKYGELEQLISRINAKGYGLTMGLHTRIDETIQTVIQHAEVGNLYINRNIVGAVVGVQPFGGEGLSGTGPKAGGPLYMYRLMQHCSNKVLATPFAVKNEQTIFEGFNREVYQSLQNWAKQHLPQANREIEPFGVGKFYELQGPTGESNQYIILPRHRVLSIADTEQDQLHQLLAIFAVGSQAAVMQNSPLLAKHKQTLPKDVLDAITTIKNITTDDFDAVLHHGNRKEIFSLQQEIASRSGAIVGITHVEPNESIPLERLVIERAISVNTAAAGGNASLMTMSE 2BHQ Chain:B ((22-508)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AMREALRRVREEFGRHYPLYIGGEWVDTKERMVSLNPSAPSEVVGTTAKAGKAEAEAALEAAWKAFKTWKDWPQEDRSRLLLKAAALMRRRKRELEATLVYEVGKNWVEASADVAEAIDFIEYYARAALRYRYPAVEVVPYPGEDNESFYVPLGAGVVIAPWNFPVAIFTGMIVGPVAVGNTVIAKPAEDAVVVGAKVFEIFHEAGFPPGVVNFLPGVGEEVGAYLVEHPRIRFINFTGSLEVGLKIYE--AAGRLAP-GQTWFKRAYVETGGKDAIIVDETADFDLAAEGVVVSAYGFQGQKCSAASRLILTQGAYEPVLERVLKRAERLSVG-PAEENPDLGPVVSAEQERKVLSYIEIGKNEG----QLVLGGKRLE--GEGYFIAPTVFTEVPPKARIAQEEIFGPVLSVIRVK--DFAEALEVANDTPYGLTGGVYSRKREHLEWARREFHVGNLYFNRKITGALVGVQPFGGFKLSGTNAKTGALDYLRLFLE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BHQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2908 -24383 -8.38 -51.99 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -8.38 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.510

(partial model without unconserved sides chains): PDB file : Tito_2BHQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BHQ-query.scw PDB file : Tito_Scwrl_2BHQ.pdb: