Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLWVFYQNNVQKLNLSNLPSSHPVTIGPDVKDSVTISTIPFNSGVISLKRKESGGQYEVFLGNDCLGTIETDISFTLQTDQQDIRLILTGSEPEKSVYFTGNRDEIVCSSEKTNADIYLNPQDFAFAEQSTFSLLRAGGSWSVRPESGTIFLNGEKINANTPLKPGDEIFWNFTQMRVTEQDLLE--IVHYAQFETALTETVKPSTEMQKKYPQYRRTPRMVYDLPDDRVSFSFPSQESDQTNRGLWLVILPPLVMLIVMGVVAIIQPRGIFILVSLAMFMMTLITSTVQYFRDKNQRKKREEKRERVYKLYLDNKRKELQALAEKQKQVLEFHFPSFEQMKYLTSEISDRIWEKSLESKDYLQLRLGTGTVPSSYEINMSGGDLANRDIDDLMEKSQHMQRVYKDIRNAPVTVDLA--EGPMGLVGKSQIVKNEIHQLIGQLSFFNSYHDLRFVFIFHEEEYKDWEWMKWLPQFQMPHIYAKGFIYNEQTRDQLLSSLYELIRERDLEDDKEKLQFKPHFVFVITNQQLISEHVILEYLEGQHEHLGISTIVAAETKESLSENITTLVRYINEHEGDILIQKKKAVRIPFRLDHHQREDNERFSRTLRTLNHQVGITNSIPETVSFLELFHAKEVKEIGIQQRWLTSESSKSLSVPIGYKGKDDIVYLNLHEKAHGPHGLLAGTTGSGKSEFLQTYILSLAV-----HFHPHEAAFLLIDYKGGGMAQPFRNIPHLLGTITNIEGSKNFSMRALASIKSELKKRQRLFDQYQVN---HINDYTKLYKQGKAEVAMPHLFLISDEFAELKSEEPDFIRELVSAARIGRSLGVHLILATQKPGGIIDDQIWSNSRFKVALKVQDATDSKEILKNSDAANITVTGRGYLQVGNNEVYELFQSAWSGAPYLEEVYGTEDEIAIVTDTGLIPLSEVDTEDNAKKDVQTEIEAVVDEIERIQDEMGIEKLPSPWLPPLAERIPRTLFPSNEKDHFHFAYVDEPDLQRQAPIAYKMMEDGNIGIFGSSGYGKSIAAATFLMSFADVYTPEELHVYIFDFGNGTLLPLAKLPHTADYFLMDQSRKIEKFMIRIKEEIDRRKRLFREKEISHIKMYNALSEEELPFIFITIDNFDIVKDEMHELESEFVQLSRDGQSLGIYFMLTATRVNAVRQSLLNNLKTKIVHYLMDQSEGYSIYGRPKFNLEPIPGRVIIQKEELYFAQMFLPVDADDDIGMFNELKSDVQKLQGRFASMEQPAPIPMLPESLSTRELSIRFKLERKPLSV----PIGLHEETVSPVYFDLGKHKHC-----LILGQTQRGKTNVLKVMLEHLIDDETEMIGLFDSIDRGLSHYAKESDVSYLETKEDIEQWIETAEDIFKTREAMYVEAVRQGDAQNLRFSQVVLMIDGITRFQQTIDTRIQDRLANFMKSYAHLGFSFIPGGNHSEFSKGYDSLTTEMKQIRHAILLMKKSEQNVIPLPYQRQEPEIQPGFGYVVENGKEQKVQIPLCSAERESAR 3JB6 Chain:A ((5-1224)) ------------TKLHNTIFSETRKFT-------RESFKEIEHLTARLANDRVARHDFL-----------FNTSIVLISDYSGEDSN----GNQLQATITIP---NEIINPKEY-------DPSDYPLAEDESFFKQGHKYDYLVTFRAGSLTNTYEPKTKMYKLHAALDKLMHVKQRKSRFADLWRELCAVIASLDVWYQTTNYPLRTYVKLLFHKGDEFPFYESPSQDRIIFNDKSVAS----------ILPTFVYTCCQVGTAIMS--GILTHVESIVAMNHFLHCAKDSYIDEKLKIKGIGRS--WYQEALHN--------------VCQATVPVWSQFNEVIGHRTKSTSEPHFVSSTFISLRAKRAELLY-------------PEFNAYINRAIQLSKTQNDVANYYAACRAMTNDGTFLATLTELSLDAAVFPRIEQ-------HLVTRPAVLMSNTRHE----------SLKQKYTNG---VGSIAQSYLSSFTDEIAKRVNGRH----HDEAWLNFLTTSRIVMQAVFAREYRTPERIFKSLKAPIKLVERQQSDRR----QRAISGLDNDRLFLS----FMPYTIGKQIYELNDNAAQGKQ-----------------------AGNAFDIGEMLYW-TSQRN---------------VLLSSIDVAG-----MDASVTTNTKDIYNTFVLDVASKCTVPRFGPYYAKNMEV-FEAGNRQSQVRYV--------------NAAWQACALEAANSQTST----SYESEIFGQVKNAEGTYPSGRADTSTHHTVLLQGLVRGNELKRASD--------------GKNSCLATIK---ILGDDIMEIFQGSESDTYDHAVSNASILNESGFATTA-------ELSQNSIVLLQQLVVNGTF-----WGFADRISLWTR------EDTKDIGRLNLAMMELNALIDDLVFRVRRPEGL-KMLGFFCGAICLRRFTLSVDNKLYDSTYNNLSKYMTLTK-----YDKNPDSD----------STLMSLILPLAWLFMPRGGEYPAYPFERRDGT--------FTEDESM---------FTAR---GAYKRRLLYDVSNIGEMIQQNSMA---------------LDDDLLHEYGFTGALLLID---LNILDLIDEVKKEDISPVKVSELATSLEQ------------------LGKLGEREKSRRAASDLKIRGHALS--NDIVYGYGLQEKIQK-----SAMATKETTVQSKRVSSRLHDVIVAKTRDYKISTIPADALHLHEFEVEDVTVDLLPHAKHTSYSSLAYNMSFGSDGWFAFALLGGL-DRSANLLRLDVASIRGNYHKFSYDDPVFKQGYKIYKSDATLLNDFFTA-----ISAGPKEQGILLRAFAYYSLYGNV-EYHYVLSPRQLFFLSDNPVSAERL----VRIPPKYYVSTQCRALYNIFSYL-HILRSIANNRG-------KRLKMVLHPGLIAYV-RGTSQGAILP------EADN

General information: TITO was launched using: RESULT: Template: 3JB6.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 : 6475 123233 19.03 104.88 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 19.03 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.092

(partial model without unconserved sides chains): PDB file : Tito_3JB6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JB6-query.scw PDB file : Tito_Scwrl_3JB6.pdb: