Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSVDSDKLATSIRALAGSRDERIAFVTEGVKQAKELQGKSVQEYEMVVSSLLMCLESFEVVHGTSLDVLCELTVLDILLNLDLSVIQLSQCNSYLRLCLMAVNEIPVAVAAAKTFAQTLSYSMTTDFVRTQIGETLEWISLSDAKSQPRRICGILVLTEVALRIPMVILPRLSEVFDRAWDCLVVHDEEVRSRALCLFTLCAKLLVNRPAA-----------------------------IRAETCDALMSHLKGNLAS-KSKGKRIAGLLAFEPIVINSIGTSNI-RYEDLSNLLVPYIMGGGANVNADTRELLFRCLVVLCRFSAPQFVAHQLKESVRFALDSIN------RNIQRNTAFEMLSEIIPIVGKTEFAPFVDDTCEVIKTIFEKSPSP-CWKALQCFSIICKECRPS---KMETYVESCIENVFVWGLSAELIECMRAIIESSSVQYRAKLEESLLDMISVTLCGLPFRQQIDAPRVSESSTDVSASEYQISVALNALKQFGFSNS----ELMGDFLRVSVLPFIDNNSVAVRNAAVYTIVKLLIPPGEKGDLSIARRMCVNTVITRMLVVGLSDPNPVVRQTILSAFTE--------DFYPYLSEQQYLFRFYSALGDESINCRVAATEQLCQMIRYD-----------PSHILPALREEMVVILHFITS-----TFNMDTVQNGFRLLAAIATRAPQ-LVVNFTEGICEALAPYFSTLSSRSGILLSFLHCCTAVAAALRKFGSTPFSSKREIALVCELLETLPADRSYHIIRLSCLRFLSATLAPLMEGASPYVLYPRLFQQLCTVLHRTEESVDIRLEALRCIGVIGALDSHVFQSFNLNEKEKASGMSAVVVDRVTHVKCCRIVLCAVAALLDPESKRSAGAREGLLRTGVQTMLNIFEHVPCSKSEIGLVIGPLARVIRQLPGGRLFATVLFEFCNIIRYGGAVVLNDLNEIYRVFDNVWEFQVNYRFLAVRMLSFVANFEASGNLHYGQQHSRILPQLFDTLNRADLRADLKYAVLEYIVRHVDSLQPCTEAAVDNLLGAIQNPANPLDFVNHCVVTLKEICVKLYVDELVGAIVRCLLACLSVDLARKTRGRDNIALCNNIMGVFCVLIEELQGNFLKYSTYIIQALKNYRITNTEFGVMNNRVATGLRCARSAMSIQQQNAEVAALLKTCESVVMKSMSRMGEVWSYANLNDDNANAGAAEERTMPINEQRLINPMKVVPLTKEEWVKWSDQFAITLLQESP----FQVFRCTAVPIGINAAPLVEKSTQFVQDTLQIAFRSMWNYASSALQTAITDFFRQSFRQAMMSTTVPAEVVTMLLGIVEYMDHVGE---------------------------AL-FISYNDLSECAWNRGMLAKALFWREAAYRDDPV---GTVESLISLYSELHMVDSSVGILNMTSEE-QRRSLLQTSLVKLARYTEALQLTQQELELEAAPLEESSTENLSKGCGYKNGSRGWSRMLHYTSNSDLTPSSSKAEESCRDRRVEVNARLMLCLSELGEYDKVLEQWGSMLHNYKDRVTDTDEMHVLFFVSQYAADASIRLQSWDTLEHVLDWLP-PDMVLYHVSKAALEVVRGNYDAALVSVTNGRKVLLEDLTSLL--HESYARAYEGLVVAQQLTEVEEVIIAKQTQKALSSAAHIPHLCHIWEQRIRMMHATVPTWKQVLGIRGLLISPH-------EDVKTRIQFTKLCRQEKARQLEKFTLAELLGFANPTLEQLTSRNVNPRVVMQYISYLSETNALGPGS-AFGTESDLIKKMIDVHT-------KAENSAVLARAYTRLGSK------VDLIESVQCFKTAIMYDPQWFLAWRKWAEANAQLLQTDK------GEETCRNAIEGFIRSIQLGTSDSTLIQDVLKLLTLWSSHCDS-------------------DHNLKELRERVFDVPSRVWHLVVPQLVARLDTGSDDSCRLVADVLTNVGYDYPHTLVYPLNLCTMSDSERRNRYSNEVLGKLQE---RYPVIVLQGRLMIDELIRVSALIYEQWYDKLEAAATAFFGRRSTDEMIRTLLPIHETLTRVPETVVESEFLSKYSKRLTEARDWLRSYSSTRYTGDIQSAWKLYHSVYCNIDKQIKSSDTLQLQFCS-PKLFEARNLSIGIPDARPVREESVAKVNRFQKDIIVIASKQRPKRIGIITAEGRLQKFLLKGREDLRLDERVMQLFSLVNILMQSDSRTSKNLGFQIQRYSVTPLKDNVGIIGWVDGCDTLHEVVKHFRERKSIPVELEMRMLDQIITFDNSKAYDYLTIMSKVEVLEFLSDHTSGQDIRKAMWNTSPNCEVWYDRRRMYTTSLANMSIVGYILGLGDRHPNNIMLQRASGLVVHIDFGDCFEVAMTRDKFPEKVPFRLTRMLRSALDVSGVDGAFRACSETAMCVLREGSHSVLALLEAFIQDPLISWRLINRHGQEPESSNDHKTIEQQVNIANMRNATSTAGAESMCDSVGKRDSGTFSVAKHLCGEEVDVVHQGVFIVKRLSSKLKGQDFI--SAGTEPLDPRTQVGQLIEEATDVTNVAQSWSGWYPFW 5YZ0 Chain:A ((664-2644)) --------------------------------------------------------------------------------------------------------------------------------------------------HEVIRASCVSGFFILLQQ-----QNSCNRVPKILIDKVKDDSDIVKKEFASILGQLVCTLHGMFYLTSSLTEPFSEHGHVDLFCRNLKATSQHECSSSQLKASVCKPFLFLLKKKIPSPVKLAFIDNLHHLCKHLDFREDETDVKAVLGTLL-NL---MEDPDKDVRVAFSGNIKHILESLDSEDGF-IKELFVLRMKEAYTHAQISRNNELKDTLILTTGDIGRAAKGDLVPFALLHLLHCLLS----KSASVSGAAYTEIRALVAAKSVKLQSFFSQYKKPICQFLVESLHSSQM-TA-------LPN---TPCQNA-----------D---------------VRKQDVAHQREMALNTLSEIANVFDFPDLNRFLTRTLQVLLPDLAAKASPAASALIRTLGKQLNVNR---------REILINNFKYIFSHLVCSCSKDELERALHYLKNETEIELGSLL-----------------------------------ASSDDPYQGPRDIISPELMADYLQPKLLGILAFFNMQLLSSSVGIEDKKMALNSLMSLMKLMGPKHVSSVRVKMMTTLRTGLRF---KDDFPELC--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FVTGVED-S---SFAY--------------GLLMELTRAYLAY-----------------ADNSRAQDSAAYAIQELLSIYDCRE---------METN--------GPGHQLWRRFPEHVREILEPH----------------------------------------LN----------T------RYK-SS-----Q--KSTDWSGV--KKP--IYL--SKLGSNFAEWSASWAGYLITKVRHDLASKIFTCCS--------IMMKHDFKVTIYLLPHILVYVLLGCNQEDQQEVYAEIMAVLKHDD---DLCQLSTQTVFSMLDHLTQWARHKFQALKAEKDSMVSTVDYEDYQSVTRFLDLIPQDTLAVASFRSKAYTRAVMHFESFITEKKQNIQEHLGFLQKLYAAMHEPDGVAGVSAIRKAEPSLK-EQILEHESLGLLRDATACYDRAIQLEPD-----------------------------------------------Q--IIHYHGVVKSMLGLGQLSTVITQVNGVHANRS---------EWTDELNTYRVEAAWKLSQWDLVENYLAADGKSTTWSVRLGQLLLSAKKRDITAFYDSLKLVRAEQIVPLSAASFERGSYQRGYEYIVRLHMLCELEHSIKPLFQ-----------------VARLEMTQNSYRAKEPILALRRALLSLNKRPDYNEMVGECWLQSARVARKAGHHQTAYNALLNAGES------------RLAELYVERAKWLWSKG---DVHQAL----IVLQKGVELCFPENETPPEGKNMLIHGRAMLLVGRFMEETANFESNAIMKKYKDVTACLPEWEDGHFYLAKYYDKLMPMVTDNKMEKQGDLIRYIVLHFGRSLQYGN--QFIYQSMPRMLTLWLDYGTKAYEWEKAGRSDRVQMRNDLGKINKVITEHTNYLAPYQFLTAFSQLISRICHSHDEVFVVLMEIIAKVFLAYPQQAMWMMTAVSKSSYPMRVNRCKEILNKAIHMKKSLEKFVGDATRLTDKLLELCNKPVD--------------------G--------------------------HFK-MLKKLVEE-A---------T-------FSEIL------------IPLQSVMIPTLPSILGTH-ANHASHE-----WAYIAGFDDMVEILASLQKPKKISLKGSDGKFYIMMCKPKDDLRKDCRLMEFNSLINKCLRKDAESR-RRELHIRTYAVIPLNDECGIIEWVNNTAGLRPILTKLYKEKGVYMTGK-E-LRQCM------LPKSAALSEKLKVFREFLLPRHPPIFHEWFLRTFPDPTSWYSSRSAYCRSTAVMSMVGYILGLGDRHGENILFDSLTGECVHVDFNCLFNKGET-FEVPEIVPFRLTHNMVNGMGPMGTEGLFRRACEVTMRLMRDQREPLMSVLKTFLHDPLVEWSK---------L----------------------------------------------NETGEVVNEKAKTHVLDIEQRLQGVIKTRNRVTGLPLSIEGHVHYLIQEATDENLLCQMYLGWTPYM

General information: TITO was launched using: RESULT: Template: 5YZ0.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 : 7036 -66631 -9.47 -43.29 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -9.47 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.252

(partial model without unconserved sides chains): PDB file : Tito_5YZ0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5YZ0-query.scw PDB file : Tito_Scwrl_5YZ0.pdb: