Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSVDSDKLATSIRALAGSRDERIAFVTEGVKQAKELQGKSVQEYEMVVSSLLMCLESFEVVH-GTSLDVLCELTVLDILLNLDL----SVIQLSQCNSYLRLCLMAVNEIPVAVAAAKTFAQTLSY--SMTTDFVRTQIGETLEWISLSD------AKSQPRRICGILVLTEVALRIPMVILPRLSEVFDRAWDCLVVHDEEVRSRALCLFTLCAKLLVNRPAAIRAETCDALMSHLKGNLASKSKGKRIAGLLAFEPIVINSIGTSNI-RYEDLSNLLVPYIMGGGANVNADTRELLFRCLVVLCRFSAPQFVAHQLKESVRFALDSINR-------NIQRNTAFEMLSEIIPIVGKTEFAPFVDDTCEVIKTIFEK---SPSP-CWKALQCFSIICKECRPSKMETYVESCIENVFVW-GLSAELIECMRAIIESSSVQYRAKLEESLLDMISVTLCGLPFRQQIDAPRVSE-S-------------------STDVSASEYQISVALNALKQFGFSNSELMGDFLRVSVLPFIDNNSVAVRNAAVYTIVKLLIPPGEKGDLSIARRMCVNTVITRMLVVGLSDPNPVVRQTILSAFTEDFYPYLSEQQYLFRFYSALGDESINCRVAATEQLCQMIRYDPSHILPALREEMVVILHFITSTFNMDTVQNGFRLLAAIATRAPQLVVNFTEGICEALAPYFSTLSSRSGILLSFLHCCTAVAAALRKFGS--TPFSSKREIALVCELLETLPADRSYHIIRLSCLRFLSATLAPLMEGASPYVLYPRLFQQLCTVLHRTEESVDIRLEALRCIGVIGALDSHVFQSFNLNEKEKASGMSAVVVDRVTHVK-CCRIVLCAVAALLDPESKRSAGAREGLLR-TGVQTMLNIFEHVP--CSKSEIGLVIGPLARVIRQLPGGRLFATVLFEFCNIIRYGGAVVLNDLNEIYRVFDNVWEFQVNYRFLAVRMLSFVANFEASGNLHYGQQHSRILPQLFDTLNRADLRADLKYAVLEYIVRHVDSLQPCTE----AAVDNLLGAIQNPANPLDFVNHCVVTLKEICVKLYVDELVGAIVRCLLACLSVDLARKTRGRDNIALCNNIMGVFCVLIEELQGNFLKYSTYIIQALKNYRITNTEFGVMNNRVATGLRCARSAMSIQQQNAEVAALLKTCESVVMKSMSRMGEVWSYANLNDDN-ANAGAAEERTMPINEQRLINPMKV-VPLTKEEWVKWSDQFAITLLQESPFQVFRCTAVPIGINAAPLVEKSTQFVQDTLQIAFRSMWNYASSALQTAITDFFRQSFRQAMMSTTVPAEVVTMLLGIVEYMDHVGEALFISYNDLSECAWNRGMLAKALFWREAAYRDDPV-GTVESLISLYSELHMVDSSVGILNMTSEE-QRRSLLQTSLVKLARYTEALQLTQQELELEAAPLEESSTENLSKGCGYKNGSRGWSRMLHYTSNSDLTPSSSKAEESCRDRRVEVNARLMLCLSELGEYDKVLEQWGSMLHNYKDRVTDTDEMHVLFFVSQYAADASIRLQSWDTLEHVLDWLPPDMVLYHVSKAALEVVRGNYDAALVSVTNGRKVLLEDLTSLLHESYARAYEGLVVAQQLTEVEEVIIAKQTQKALSSAAHIPHLCHIWEQRIRMMHATVPTWKQVLGIRGLLISPHEDVKTRIQFTKLCRQEKARQLEKFTLAELLGFANPTLEQLTSRNVNPRVVMQYISYLSETNALGPGS-AFGTESDLIKKMIDVHTK---AENSAVLARAYTRLGSK----------VDLIESVQCFKTAIMYDPQWFLAWRKWAEANAQLLQTD--KGEETCRNAIEGFIRSIQLGTSDSTLIQDVLKLLTLWSSHCDSDHNLKELRERVFDVPSRVWHLVVPQLVARLDTGSDDSCRLVADVLTNVGYDYPHTLVYPLNLCTMSDSERRNRYSNEVLGKLQERYPVIVLQGRLMIDELIRVSALIYEQWYDKLEAAATAFFGRRSTDEMIRTLLPIHETLTRVPETVVESEFLSKYSKRLTEARDWLRSYSSTRYTGDIQSAWKLYHSVYCNIDKQIKSSDTLQLQFCSPKLFEARNLSIGIPDARPVREESVAKVNRFQKDIIVIASKQRPKRIGIITAEGRLQKFLLKGREDLRLDERVMQLFSLVNILMQSDSRTSKNLGFQIQRYSVTPLKDNVGIIGWVDGCDTLHEVVKHFRERKSIPVELEMRMLDQIITFDNSKAYDYLTIMSKVEVLEFLSDHTSGQDIRKAMWNTSPNCEVWYDRRRMYTTSLANMSIVGYILGLGDRHPNNIMLQRASGLVVHIDFGDCFEVAMTRDKFPEKVPFRLTRMLRSALDVSGVDGAFRACSETAMCVLREGSHSVLALLEAFIQDPLISWRLINRHGQEPESSNDHKTIEQQVNIANMRNATSTAGAESMCDSVGKRDSGTFSVAKHLCGEEVDVVHQGVFIVKRLSSKLKGQDFISAGTEPLDPRTQVGQLIEEATDVTNVAQSWSGWYPFW 6EMK Chain:A ((106-2474)) -----------------------NELSTTLTSLAREVSAEQFQRFS---NSLN--NKIFELIHGFTSSEKIGGILAVDTLISFYLSTEELPNQTSRLANYLRV-LIPSSDIEVMRLAANTLGRLTVPGGTLTSDFVEFEVRTCIDWLTLTADNNSSSSKLEYRRHAALLIIKALADNSPYLLYPYVNSILDNIWVPLRDAKLIIRLDAAVALGKCLTIIQDRDPALGKQWFQRLFQGCTHGLSLNTNDSVHATLLVFRELLSLKAPY-LRDKYDDIYKSTM-KY---KEYKFDVIRREVYAILPLLAAFDPAIFTKKYLDRIMVHYLRYLKNIDMNAANNSDKPFILVSIGDIAFEVG-SSISPYMTLILDNIREGLRTKFKVRKQFEKDLFYCIGKLACALGPA-FAKHLNKDLLNLMLNCPMSDHMQETLMILNEKIPSLE-STVNSRILNLLSISLSGEKFIQ-SNQYDFNNQFSIEKARKSRNQSFMKKTGESNDDITDAQILIQCFKMLQLIHH-Q-YSLTEFVRLITISYIEHEDSSVRKLAALTSCDLFIKDDICKQTSVHALHSVSEVLSKLLMIAITDPVAEIRLEILQHLGSNFDPQLAQPDNLRLLFMALNDEIFGIQLEAIKIIGRLSSVNPAYVVPSLRKTLLELLTQLKFSNMPKKKEESATLLCTLINSSDEVAKPYIDPILDVILPKCQDA--SSAVASTALKVLGELSV---VGGKEMTRYLK----ELMPLIINTFQDQ-SNSFKRDAALTTLGQLAASSGYVVGPLLDYPELLGILINILKTE-NNPHIRRGTVRLIG------------------------------------EYYPTV--VIHNLMKILNDPSLS----IHHTAAIQAIMHIFQNLGLRC-VSFLDQIIPGIILVMRSCP-PSQLDFYFQQLGSLISIVKQHIRPHVEKIYGVIREFFPI-IKLQITIIS---VIESISKALEGEFKRFVPETLTFFLDILENDQSN---KRIVPIRILKSLVTFGPNLEDYSHLIMPIVVRMTEYS--AGSLKKISIITLGRLAKNINLSEMSSRIVQALVRILNNG---------DRELTKATMNTLSLLLLQLGTDFVVFVPVINKALLRNR---IQHSVYDQLV--------------------NKLLNNECLPTNIIFDK-------ENEVPERKNYEDEMQVTKLPVNQNILKNAWYCSQQKTKEDWQEWIRRLSIQLLKESPSACLRSCS--------SLVSVYYPLARELFNASFSSCWVELQTSYQED----------------------------LVEFMEHDDKPLPIPIHTLGKYAQKCHAFAKALHYKEVEFLEEPKNSTIEALISINNQLHQTDSAIGILKHAQQHNELQ-LKETWYEKLQRWEDALAAYNEKEAAGED-----------------------------------------------S--VEVMMGKLRSLYALGEWEELSKLASEKWGTAKP--------EVKKAMAPLAAGAAWGLEQWDEIAQYTSVMKSQSPDKEFYDAILCLHRNNFKKAEVHIFNARDLLVTELSALVNESYNRAYNVVVRAQIIAELEEIIKYKKLPQN---SDKRLTMRETWNTRLLGCQKNIDVWQRILRVRSLVIKPKEDAQVRIKFANLCRKSGRMALAKKVLNTLLEETDDPD-HPNTAKASPPVVYAQLKYLWATG---LQDEAL----KQLINFTSRMAHDLVEDYTKLLARCFLKQGEWRVCLQPKWRLSNPDSILGSYLLATHFDNTWYKAWHNWALANFEVIS--SNLIHRHVIPAIKGFFHSISLSE--SSSLQDALRLLTLWFTFGGIPEATQAMHEGFNLIQIGTWLEVLPQLISRIHQPNQIVSRSLLSLLSDLGKAHPQALVYPLMVAIKSESLSRQKAALSIIEKMRIHSPVLVDQAELVSHELIRMAVLWHEQWYEGLDDASRQFFGEHNTEKMFAALEPLYEMLKRGPETLREISFQNSFGRDLNDAYEWLMNYKKSKDVSNLNQAWDIYYNVFRKIGKQLPQLQTLELQHVSPKLLSAHDLELAVPGTRASGGKPIVKISKFEPVFSVISSKQRPRKFCIKGSDGKDYKYVLKGHEDIRQDSLVMQLFGLVNTLLQNDAECF-RRHLDIQQYPAIPLSPKSGLLGWVPNSDTFHVLIREHREAKKIPLNIEHWVMLQMA-----PDYDNLTLLQKVEVFTYALNNTEGQDLYKVLWLKSRSSETWLERRTTYTRSLAVMSMTGYILGLGDRHPSNLMLDRITGKVIHIDFGDCFEAAILREKFPEKVPFRLTRMLTYAMEVSGIEGSFRITCENVMKVLRDNKGSLMAILEAFAFDPLINWGFDLPTKKIEEETGIQL--P--VMNANELLSNGAITEEE-VQ------------RVENEHKNAIRNARAMLVLKRITDKLTGNDIRR--FNDLDVPEQVDKLIQQATSVENLCQHYIGWCPFW

General information: TITO was launched using: RESULT: Template: 6EMK.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 : 9963 -125931 -12.64 -58.27 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -12.64 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.150

(partial model without unconserved sides chains): PDB file : Tito_6EMK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6EMK-query.scw PDB file : Tito_Scwrl_6EMK.pdb: