Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRWRSNVKKITKQLTLSLKNPFIYHHVVYGQNVLPGLAYIDIIYQIFREHGFSCSELQLRNLSIYQPLTAEQDAVIVLNIQCAEKKEGQWQITAKGIEKRDGKEASEEKLYMKADMHADSPAIFEETLDLSQIKASAQNVVQLDDVYEQCRRQELVHSEYMKAKGCIYEEEDGVLLELSLGSEAMLHAEGFMFHPTLIDGSGVGANHLLTSLLKGEQRLYLPLFYESFSASALLQTDCMTRIKRSSVRREKELIYVTLEFFNASGEKVAELKNFTSKLVREAELISGKHQDAQETQMTRADTAERDKPADMVSSPVNSYSEAEQFVSQLIAEKINKPVEQVEKQVGYYQMGLNSSGLLEVVETISDKIGESLSPTLLFEHTTIAELSAFLAEEYAEHFSAAGSLGQNERARVSDSINDHKTVEGSRPAPIEAAGDIAIIGLAGRYPKAANIHEFWNNLKEGKDCVSEIPESRWDWQRLEGITSPSGKDISKWGGFIDDPDCFDPQFFRITPREAETMDPQERLFLETCWETIEDAGYTPKTLAKPKGRNKRQHVGVFAGVMHKDYTLVGAEEASAENVFPLSLNYAQIANRVSYFCNFHGPSMAVDTVCSSSLTAVHLALESIRHGECDVALAGGVNLSLHPNKYMTYGVWDMFSTDGHCRTFGKDGDGYVPAEGIGAVLLKPLRQAEEDGDRIYAVIKGSAVNHVGTVSGISVPSPVSQADLIETCLEKTGIDPRTISYVEAHGTGTSLGDPIEIQGLVKAFRQYTQDRQFCSIGSVKSNIGHAESAAGISGLSKVALQLHHQKLVPSLHSEELNPYVDFEKSPFYVQHETETWKQPVIKENGEDVPYPRRAGISSFGATGSNAHIILEEHIPQAAEQDVSLSSDSDISAVIPLSARNQERLRVYAKRLLDFLHDGIQIRDLAYTLQVGREPMEERVSFLASGIQELSDQLKAFIEGRKAIQHCWKGRVSRGSEPSRPAESVHKLLEQRKLDQIAEQWANGSGVDWKLLYEGSKPKRISLPTYPFERVRYWVPKAEKKTDRSKQERHILHPLLHQNVSDISGVRFRSAFTGREFFLKDHVIKGEHVLPGAALLEMVRAAVERAAADQFPTGFRLRNIVWVRPFAVTEQQKDIDVRLYPEENGEITFEICRDPESAEESPIVYGQGSAVLCEAGENPVINIEELKASYNGRTLSPFDCYEAYTEMGIHYGDSHRAIDSLYAGENGVLVKLTMPPVISDTEDHYILHPSMIDSAFQASIGLRLGGATSLEDRKAMLPFAIQDVRIFKGCEASMWARITYSEGSTAGDRMQKLDIDLCNEEGQVCVRLTSYSARVLETDQEGPSEANDTLLFEHIWEERAAERQELIEYDTYKVVVCDVGEQMESLQNHLDCTVLQHDTETIDERFEGYAIQLFEEIKQLMHSKTGGHTFIQVAVPALDEPQLLSGLTGLLKTAELENPKLTGQLIEIETGMSAGELFEILEENRRYPRDTHIRHWQGKRFVSKWKEVSGEHLSADMPWKDKGVYLITGGAGGLGFIFATEIANQTNDAVVILTGRSPLDERKKKKLKALQKLGIQAIYRQADLADKQTVDALLKETQNVYGDLDGIIHSAGLIKDNFIMKKKKEEVQTVLAPKVAGLIHLDEATKDIPLDFFILFSSGAGAVGSAGQADYAMANAFMNAFSEYRNGQAELHKRYGKTLSVCWPLWKDGGMQIDAETARMLKRETGMVAMETDRGIQALYHGWTSGKPQVLVASGVTDRIRAFLHETGHGKGQSHNIKKSSLNQEAEKADMIGEIDEEILREKAENYFKQVLSSVIKLPAGQIDAEAPLEDYGIDSIMIMHVTGQLEKVFGSLSKTLFFEYQDIRSLTRYFIDSRREKLLDILGFETGKPSVERKSEPEKQEIPVIPRKSGFLPLQDKEQKQVREKETEEIAIIGISGRYPQADNIDELWEKLRDGRDCITEIPADRWDHSLYYDEDKDKPGKTYSKWGGFMKDVDKFDPQFFHISPREAKLMDPQERLFLQCVYETMEDAGYTREHLGRKRDAELGGSVGVYVGVMYEEYQLYGAQEQVRGRSLALTGNPSSIANRVSYYFDFHGPSIALDTMCSSSLTAIHLACQSLQRGECEAAFAGGVNVSIHPNKYLMLGQNKFMS-SKGRCESFGQGGDGYVPGEGVGAVLLKPLSKAVEDGDHIYGIIKGTAINHGGKTNGYSVPNPNAQADVIKKAFVEAKVDPRTVSYIEAHGTGTSLGDPIEITGLSKVFTQETDDKQFCAIGSAKSNIGHCESAAGIAGVTKVLLQMKYRQLAPSLHSNVLNPNIDFLNSPFKVQQELEEWKRPIISVNGKDIELPRIAGVSSFGAGGVNAHILIEEYAPEPVEERLPARKQPAVIVLSAKNEERLQKRAERLLHAIREQTYVEADLHRIAYTLQVGREAMKERLAFVAETMQELEEKLYECISG----TENREYVYRGQVKSNKEAIAAFAADEDMSKTIEAWLQKGKYAKVLDLWVRGLRIDWSTLYQDQKPRRISLPAYPFARDRYWIDVNAKAEEKRTEEPFAPVQPVIPKPSVDREASGKPANITLQPLMTNQDRLERVPSDTETETITAEALCDELTAGLAEVLYMDQNEIDPDEAFIDI--GMDSITGLEW-IKAIN-KQYGTSLNVTKVYDYPTTRDFAVYL------------AHELSTQAGEKKQTETYTPIRQKTVVPAAKPANISLQP-LEHHQPVQEEAEETIQYAAAEISASRQYTVAIETLHENLRESIADVLYMEPYEVDIDEAFIDIGMDSITGLEWIKAVNKQYGTSFTVTRVYDYPTIRDFAEMLKSELGTHLDRKIEHTDSFEAAQQKPAASSHPKPAERPLQPVQHPIKKEHEKKTVPVLQDRPEDAIAIVGMSGRYPGARNVREYWDNLVHARNAIRDIPTSRWDVDKYYDPVLNKKGKVYCKSMGMLDDIEHFDPLFFNIPPSEAELMDPQHRIFLQEGYKAFEDAGYNARTLNEKKCGVYLGIMSNEYGVMLNRQSRANATGNSFAIAAARIPYFLNLKGPAIPIDTACSSSLVGTHLARQALINKEIDMALVGGVSLYLTPESYMSMCEAGMLSPDGQCKAFDNGANGFVPGEGAGALVLKRLKDAEADRDHIYGIIIGSGINQDGKTNGITAPSAKSQMDLERDIYETYGIHPESISYVEMHGTGTKQGDPIELEALSTVFQEKTDKKQFCAIGSVKSNIGHTSAAAGVAGVQKVLLCMNHKTLVPTLNFTTPNEHFEFEHSPLYVNTELKPWETADGKPRRACVSSFGYSGTNAHIVIEEYQPEKRNDRLTKQHRSALFVLSAKKEKQLKAYAEAMKDFVTSNEDIDLEDMAYTLQTGREAMDYRMAFLADSREMLIKALDDYLAEMPNGSIFAAHVKTKKSEIKLFETDHDAKALLQTWIEKKRLEKVAELWVKGLQIDWNKLYGEYTPRRISLPAYPFAEEYYWLPTQEGEPETIATAMPQFELMPKRCFLRKQWQPCPIEPAEMTNQTVAILANEETMALAEELSAYFSTYRIFDSQELDRVSAADYEHVAGAIDLIGCGTSHEHSMGWINWLQKLIEQGRASKHHLTVLGVTKGLEAYANEGVLLSGASRAGLYRMLQSEYSHLTSRHADMECEASHEELARLIAVEYYAKSTESEVCYRNGQRYRAYLTEQPAEAALSHKQVSFSTDKVLLITGGTRGLGLLCARHFVKTYGVKRLVLIGREELPPRDQWNSVKISSLAEKIKAVQELEDMGAQVQVLSLDLTDRVAVEQSLKTIHETMGAIGGVIHCAGMVNKQNPAFIRKSLEEIGQVLEPKVEGLQTLFDLLQDEPLAFFTLFSSVSAAIPALAAGQADYAMANAFMDYFAEAHQDKCPIVSIQWPNWKETGLGEVRSKALEQTGLISLTNDEGLQLLDQILSDRQYAVVLPAVPDTNVWKPDKLMQPSLPVEALSHPETKEQTSTRNLFPETVDWLVTLFSDELKIAAEDFETDEPFQEYGIDSIILAQLVQQMNQQLNGDIDPSILFEYPTIESFAHWLISKYDISAVLQPSVPEKQTPLKPQSAMKQKLVPEQRPQQISHEKTALLAEDIAIIGLSCRFPGAETLEEYWDLIRDGRSAIAPVPPERFGNSSSNYAGLIDEMNRFDHDFFMMSESDVRAMDPQALAVLEESLKLWYHAGYTEKEVKGMRAGVYIGGRSQHKPDPASLSKAKNPIVAGGQNYLAANISQFFDLKGPSIVLDTACSSALVGLNMAIQALRSGDIEAAVVGGVSLLDADAHRMFHERGLLCDKPSFHIFDKRADGVILGEGVGMVLVKTVNQAVEDGDSIYAVIKAAAINNDGRTAGPSSPNLEAQKDVMLSALEKSGKKTEEISYLEANGSGSAVTDLLELKAIQSIYRSESKAPLGLGSVKPNIGHPLCAEGIASLIKVALMLKHRQLVPFLSGNENMPYFDIEKTDLYFSRSQAEWKETTPAAAINCFADGGTNAHLIIEGWRDSAERPIRRKPLPLPELNRQPVLIKPSAQNVQKKVHSDTGASKDMFWKTFK 4KC5 Chain:A ((8-921)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NELANYIAVIGLGGYYPGADSIDELWQNLANGVDCMSDFPADRWDHSKIYYKNRKVLGKTTCINGSFIKDVDKFDYSYFKMPKVYADHMSPEVRLFLQVAVHTFEDAGYSKETLLSRY----NGDVGVLLGTMSNDYHYYGFESNVFRGSMASGSGMATIPMTVSYFYGLTGPSLFIDTMCSSSSTCIHTACQMLKHDETKMVLAGGLNLMYHPYTTVNTSQGNFTSITSESVNSYGVGADGTVIGEGIGAVLLKRLDRAIADRDQIYGVIKGSAMTNAGERNGFNVPNPDLQTLAIRQAMDQAKVHPSSISYIEGHGSGTKLGDPIEVLGLNNAFRWATDDKQFCYLGSIKSNIGHLLAASGIAGLTKTLLQFKHKQIAPSIHSSQLNQDIDFADTPFVVPQQLIEWRQPERIINGRKQVFPRRAGLTSIAAGGMNAHMIVEEY-PEPADSAGQISEDQLVFVFSVHKLALLAQNLTSFRDWLASS---EAPLAQIAYTLQVGKNNLRNRLAIRCRTRQALSRALNACIDGHYQSSADSKIFYRFQESDAVQPLESDLNDP-LAPLLTQWLNGDS------------QVDWASLYA-QPPVRISLPAYRFEKTRCWYTEEGYESSIVNPLMFKNK----LHPLVAKNCSTPQPGAIFRTDFVEDELLDYVYSGRGGRRLSAFNFADVALAMPALASRFDGRTLSVSCAFEHYIADWTTVTGLEYRLFEIDSEQLELEFDFRRSGEQPTHLGFAVINPLTSDEPPLPQQWLDDARELLNRQALQAGRQLSAAEVSQRLAQAGYDFAPYLDHDGELTIGRSGLVLKGRPPVNRHNHYADNVQ-LSPYLATTIDKALYLLLDELGLPQG--RVIVRNIERLCCYH--TPAGGFSVVLSGIGLNDNELSLSLLVLDERE-QICVKLDKVSLYLGKQEVASVDRKHSLLT------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KC5.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 : 5483 -321708 -58.67 -360.66 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -58.67 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.349

(partial model without unconserved sides chains): PDB file : Tito_4KC5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KC5-query.scw PDB file : Tito_Scwrl_4KC5.pdb: