Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEIDMNTMDTFHQMDKSHQGYITEFNDKSEFEQRINTAWRRAEPEAVEELLQAAAVSDDLDHKIYDLAFNLAHNLRERKTSSGKAGIVQGLLQEFSLSSQEGVALMCLAEALLRIPDTATRDLLIRDKINQGNWKEHVGQSSLMFVNAAAWGLMLTGKLMETPKQTSLSSVLTGLLARSGRGIIRKAVDVAMRMMGEQFVTGETIEEAVDHAKVLEDKGFRYSYDMLGEAALTDHDAERYFNDYTQAIHAIGKASNGKGVYDGPGISIKLSALHPRYQRAQIERVHKELYGKVFELARLAKQYNIGLNIDAEESERLEISLELLERLCFEPELANWKGIGFVIQAYQKRCFFVVDYIIDLAKRSQKRLMIRLVKGAYWDSEIKKAQIEGMDDYPVFTRKVHTDLSYIACAKKLLAAPEFIYPQFATHNAQTLATIYHLADPSKYYAGQYEFQCLHGMGEPLYEQVVGPRQQNKLGVPCRIYAPVGNHETLLAYLVRRLLENGANTSFVNRIADKTLKVEDLIQSPIYDIRNAAKLEGSVGLKHPSIPLPLDMYGTLRKNSKGYDLANDTPLAALDSTAQELRNRIWQSHPLLANTDSLEQGHSVAITNPAQNDEIVGYVQEADLKHVEIALTAAEQT---QSEWSNTPKDQCAQYLKRAADLMESRIQELMVLLCRESGKTYANA-IAEVREAVDFLRYYATQVENLPANTV-----------IQPLGTVLCISPWNFPLAIFSGQIAAALVSGNCVIAKPAEQTPLIAAQAVQILWEAGIPHGAVQLLPGRGETVGAQLSQDSRIDGIMFTGSTEVAKILQKTVAKRLSENGQSIPLIAETGGQNAMIVDSSALTEQVVLDVVSSAFDSAGQRCSALRILCVQEDSAATVIKMLKGAMQQLIVGNPAILKTDIGPVIDDEAKQTIDQHIQKMKSKGYPVHQLMFGATSQTELDKGTFVVPTAIELPNLDDL---QREVFGPVLHIITYKYGELEQLISRINAKGYGLTMGLHTR-IDETIQTVIQHAEVGNLYINRNIVGAVVGVQ-PFGGEGLSGTGPKAGGPLYMYRLMQHCSNKVLATPFAVKNEQTIFEGFNREVYQSLQNWAKQHLPQANREIEPFGVGKFYELQGPTGESNQYIILPRHRVLSIADTEQDQLHQLLAIFAVGSQAAVMQNSPLLAKHKQTLPKDVLDAITTIKNITTDDFDAVLHHGNRKEIFSLQQEIASRSGAIVGITHVEPNESIPLERLVIERAISVNTAAAGGNASLMTMSE 5AC0 Chain:B ((35-479)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GKKFPVFNPATEEKLC-EVEEGDKEDVDKAVKAARQAFQIGSPWRTMDASERGRLLNKLADLIERDRLLLATMEAMNGGKLFSNAYLMDLGGCIKTLRYCAGWADKIQGRTIPMDGNFFTYTRSEPVGVCGQIIPWNFPLLMFLWKIGPALSCGNTVVVKPAEQTPLTALHMGSLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDVDKVAFTGSTEVGKLIKEAAGK---SNLKRVSL--ELGGKSPCIVFADADLDNAVEFAHQGVFYHQGQCCIAASRLFVEESIYDEFVRRSVERAKKYVLGNPLTPGVSQGPQIDKEQYEKILDLIESGKKEG---AKLECGGGPWG--NKGYFIQPTVFS-DVTDDMRIAKEEIFGPVQQIMKFK--SLDDVIKRANNTFYGLSAGIFTNDIDKAI-TVSSALQSGTVWVN---CYSVVSAQCPFGGFKMSGNGRELG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5AC0.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 : 2464 24052 9.76 56.59 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : 9.76 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_5AC0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AC0-query.scw PDB file : Tito_Scwrl_5AC0.pdb: