Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKGADTMNTIKKIKNIYPLSHMQEGMLFHSFLRKEEGAYVEQSLFTIKGSLSYDWFQRSIQAIIDRHDIFRTVFLPHVPHLSGPRQVVMTEREFHL-NSEDISHLPTNDQNEYIERFKEKDKQKGFDLQ-KDMLMRISLFKTAKDEHVCIWSHHHILMDGWCLGIVMQEFMQIYQSIHAGKPLSLDPVRPYSTYISWLTNRD----KEKAAAYWDTYLKNYSAPSPLPRVSDKETKESYHREDLIFSLNKPLTDKLKETAKQHGVTLATLIQAVWGVMLQQYNRTDDVVFGAVVSGRPSEIPGVEQMIGLFINTIPIRIKTHQDETFHELLIRCQKEMLEAEPFTCQPLFDIQANTALKQ---ELIDHIIVFENYPLQQKIADSADQTDSPLQIDQVQVSEQSGYNFNLVV--APGEELVIKFSYNAFVYDAAWISCIKRQFTQALSTAAQHPHMPIADFSFLDATEKEQIVTQFNNTKTEYPKNHTIIDLFREQAEKTPDHTALVYGNMSISYKELDKRSNALARELIQKGFRKNETAGILAAHSPEFMISVLAVLKAGGAYLPLDAELPPERVSFMLEETQAKMLIVQKGLEQNAAFSGTCIISDAQGLMEENDIPINISSSPDDLAYIMYTSGSTGRPKGVMITNRNVVSLVRNSNYTSASGDD-RFIMTGSISFDAVTFEMFGALLNGASLHIIDKSTMLTPDRFGAYLLENDITVLFLTTALFNQLAQVRA-----DMFRGLHTLYVGGEALSPALMNAVRHACPDLALHNIYGPTENTTFSTFFEMKR-----DYAGPIPIGKPISNSTAYILDTKGRLLPIGVPGELCVGGDGVAKGYLNRVDLTNAVFSPHPFLPGERIYRTGDLARWLPDGNLEYISRIDRQMKIRGKRIEPAEIEARLLEMEGVQEAAVTLRE------K-DGEAQLYTHYVGDHK--KTDTDFRADLARVLPDYMIPQHWVRVERMPLTGNGKIDRSALPIPENKPAKRQNIILPRNLVEEELANIWKQVLGVNTISIDDDFFAIGGHSLRALQVIHTLKHQQNIDIPIDFLFEHPTIAQLAEKLYSKQLTAANEQHVIKLNQHGAQNLFCFPPISGFGIYFKDLALLLNEKAAVYGFHFIEQDTRIEQYVNCMTDIQPEGPYVLLGYSAGGNLAFEVAQAMERKGLEVSDFIIVDAYLKEQPLPIDTGNDESAAYLPEAVREKVMKKKRNYQEYWAQLLNEGHIKASIHFIEAGIHPETSGHTGLTKWEGACGNYSEYTGFGAHKDMLEGTYAEKNADIILDILEKITSNQVILHKR 4ZXJ Chain:A ((2-1041)) -----------------LPLVAAQPGIWMAEKLSELPSAWSVAHYVELTGEVDSPLLARAVVAGLAQADTLRMRFTE--D-NGEVWQWVDDALTFELPEIIDLRTNID--PHGTAQALMQADLQQDLRVDSGKPLVFHQLIQVADNRWYWYQRYHHLLVDGFSFPAITRQIANIYCTWLRGEPTPASPFTPFADVVEEYQQYRESEAWQRDAAFWAEQRRQLPPPASLSPAPLPGRSASADILRLKLEFTDG--EFRQLATQLSGVQRTDLALALAALWLGRLCNRMDYAAGFIFMRRLGS--AALTATGPVLNVLPLGIHIAAQETLPELATRLAAQLKKMRRHQRYDAEQIVRDSGRAAGDEPLFGPVLNIKVFDYQLD--------IPDVQAQTHTLATGPVNDLELALFPDVHGDLSIEILANKQRYDEPTLIQHAERLKMLIAQFAADPALLCGDVDIMLPGEYAQ-LAQLNATQVE-IPETTLSALVAEQAAKTPDAPALADARYLFSYREMREQVVALANLLRERGVKPGDSVAVALPRSVFLTLALHAIVEAGAAWLPLDTGYPDDRLKMMLEDARPSLLITTDDQLPRFSDVPNLTSLCYNAPLTPQGSAPLQLSQPHHTAYIIFTSGSTGRPKGVMVGQTAIVNRLLWMQNHYPLTGEDVVAQKTPCSFDVSVWEFFWPFIAGAKLVMAEPEAHRDPLAMQQFFAEYGVTTTHFVPSMLAAFVASLTPQTARQSCATLKQVFCSGEALPADLCREWQQLT-GAPLHNLYGPTEAAVDVSWYPAFGEELAQVRGSSVPIGYPVWNTGLRILDAMMHPVPPGVAGDLYLTGIQLAQGYLGRPDLTASRFIADPFAPGERMYRTGDVARWLDNGAVEYLGRSDDQLKIRGQRIELGEIDRVMQALPDVEQAVTHACVINQAAATGGDARQLVGYLVSQSGLPLDTSALQAQLRETLPPHMVPVVLLQLPQLPLSANGKLDRKALPLPELKA--QAPGRAPKAGSETIIAAAFSSLLGCDVQDADADFFALGGHSLLAMKLAAQLSRQVARQVTPGQVMVASTVAKLATIIDA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZXJ.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 : 5723 -31507 -5.51 -31.23 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -5.51 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_4ZXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZXJ-query.scw PDB file : Tito_Scwrl_4ZXJ.pdb: