Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------MNNQKVVAVLLQECKQVLDQLLLEAPDVSEEDKSEDQRCRALLPSELRTLIQEAKEMKWPFVPEKWQYKQAVGPEDKTNLKD-------VIGAGLQQLLASLRASILARDCAAAAAIVFLVDRFLY-GLDVSGKLL-QVAKGLHKLQ---------PATPIAPQVVIRQARISVNSGKLLKAEYILSSLISNNGATGTWLYRNESDKVLVQSVCI----QIRGQILQKLGMWYEAA------ELIWASIVGYLALPQPDKKGLSTSLGILADIFV----SMSKNDYEKFKNNPQINLSLLKEFD--HHLLSAAEACKLAAAFSAYTPLFVLTAVNIRGTCLLSYSSSNDCPPELKNLHLCEAKEAFEIGLLTKRDDEPVTGKQELHSFVKAAFGLTTVHRRLHGETGTVHAASQLCKEAMGKLY--NFSTSSRSQDREALSQEVMSVIAQVKEHLQVQSFSNVDDRSYVPESFECRLDKLILHGQGDFQKILDTYSQHHTSVCEVFES----DCGNNKNEQKDAKTGVCITALKTEIKNIDTVSTTQEKPHCQRDTGISSSLMGKNVQRELRRGGRRNWTHSDAFRVSLDQDVETETEPSDYSNGEGAVFNKSLSGSQTSSAWSNLSGFSSSASWEEVNYHVDDRSARKEPGKEHLVDTQCSTAL--------SEELENDREGRA------------MHSLHSQLHDLSLQEPNNDNLEPSQNQPQQQMPLTPFSPHNTPGIFLAPGAGLLEGAPE-GIQEVRNMGPRNTSAHSRPSYRSASWSSDSGRPKNMGTHPSVQKEEAFEIIVEFPETNCDVKDRQGKE-QGEEISERGAGPTFKA-------SPSWVDPEGETAESTEDAPLDFHRVLHNSLGNISMLPCSSFTPNWPVQNPDSRKSGGPVAEQGIDPDASTVD---EEGQLLDSMDVPCTNGHGSHRLCILRQPPGQRAETPNSSVSGNILFPVLSEDCTTTEEGNQPGNMLNCSQNSSSSSVWWLKSPAFSSGSSEGDSPWSYLNSSGSSWVS-LPGKMRKEILEARTLQPDDFEKLLAGVRHDWLFQRLENTGVFKPSQLHRAHSALLLKYS-KKSELWTAQETIVYLG-DYLTVKKKGRQRNA--FWVHHLHQEEILGRYVGKDYKEQKGLWHHFTDVERQ----------------MTAQHYVTEFNKRLYEQN--IPTQIFYIPSTILLILE------------DKTIKGCISVEP---YILGE------FVKLSNNTKVV-------------KTEYK-----ATEYGLAYGHFSYEFSNHRDVVVDLQGWVTGNGKGLIY----LTDPQIHSVDQKVFTT-------NFGKRGIFYFFNNQHVECNEICHRLSLTRPSM-EKPCT-- 5U1T Chain:A ((39-1595)) NNIDLAIEDITTVDHSLNSIYSLLKSHHMWGHINSTVKQHLMIIVKLINNNALGLASSEIIFLFNETNLFQAHSLKNILLADFSTWNDYYLSNLKILALQIILKRKLVDEYLPHILELFSHDKRYLLKDPNLKAHALTKIVLSFFSVTTSCKVLFGLKFLQYIKQFKLPFKKFITVECFSKNLLHKNYLEMGPNKIYLNSFYLSYSMLYDGLDKIMLLDILSYEETTEVQRAIKSKEYCNMSENRLLWSCISVDDLNVILENATNFLQNHISATLKCLVCLWSTIRLEGLPKNKDILRQFDCTVIYINSNIKSINDESAAALLSELLGVLSEICIDYKEPKRLSNIISVLFNASVLFKSHSFLLKTANLEISNVLISNDSKTSHRTILKFEKFISSAQSAQKKIEIFSCLFNVYCMLRNDT--LSFVFDFCQNAFIHCFTRLKITKFIEFSNSSEIMLSVLYGNSSIENIPSENWSQLSRMIFCSLRGIFDLDPLELNNT--------------FDKLHLLNKYELLIRIVYLLNLDMSKHLTTNLSKITKLYINKWLQKSDEKAERIS-SFEMDFVKMLLCYLNFNNF---------DKLSIELSLCIKSKEKYYS--SIVPYADNYLLEAYLSLYMIDDALMMKNQLQKTMNLSTAKIEQALLHASSLINVHLWDSDLTAFQIYFGKTLPAMKPELFDINN---DHNLPMSLYIKVILLNIKIFNESAKLNIKAGNVISAVIDCRKAQNLALSLLKKKNKLSQGSRLALLKSLSFSFFQLIKIHIR----IGSARDCEFYSKELSRIISDLEEPIIVYRCLHFLHRYYMITEQTCLQNITLGKANKAFDYLDAEADITSLTMFLYDNKEFVKLEQSLVLYFGDQLEKTFLPNLWKLH-LGKDIDDSICLSEYMPKNVINRVHNMWQKVMSQLEEDPFFKGMFESTLGIP---SSLPVIQKFDRIAAISKLKQMKELLESLKLDTLDNHELSKISSLSSLTLTILSNITSIHNAESSLITNFSLTDLPRHMPLLFDKVLNNIDNKNYREFNISTITESIRVSAAQKDLMESNLNINVITIDFCPITGNLLLSKLEPR-----RKRRTHLRLPLH-----LSFPEATKKLLSIINESNQTTSVEVT-----NKIKTREERKSWWTTRYDLDKRMQQ------LLNNIENSWFNGVQGFFSPEVVDNSLFE--KFKDKFYEILHQNLPSRKLYGNPAMFIKVEDWVIELFLKLNPQEIDFLSKMEDLIYFVLDILLFHGEENAYDEIDFSMLHVQLEEQIKKYRAT--MTTNSIFHTFLVVSSSCHLFPWECLSFLKDLSITRVPSYVCLNKLLSRFHYQLPLQVT-IEDNISMILNPNGDLSRTESKFKGMFQKIIDAKPSSQLVMNEKPEEETLLKMLQNSNLFVYIGHGGGEQYVRSKEIKKCTKIAPSFLLGCSSAAMKYYGKLEPTGTIYTYLLGGCPMVLGNLWDVTDKDIDKFSEELFEKMGFRCNTNGNSLSVSYAVSKSRGVCH--LRYLNGAAPVIYGLPIKFV

General information: TITO was launched using: RESULT: Template: 5U1T.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 : 5188 159297 30.70 135.34 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 30.70 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.129

(partial model without unconserved sides chains): PDB file : Tito_5U1T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5u1t-query.scw PDB file : Tito_Scwrl_5U1T.pdb: