Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLVLNDLLICCRQLEHDRATERKKEVEKFKRLIRDPETIKHLDRHSDSKQGKYLNWDAVFRFLQKYIQKETECLRIAKPNVSASTQASRQKKMQEISSLVKYFIKCANRRAPRLKCQELLNYIMDTVKDSSNGAIYGADCSNILLKDILSVRKYWCEISQQQWLELFSVYFRLYLKPSQDVHRVLVARIIHAVTKGCCSQTDGLNSKFLDFFSKAIQCARQEKSSSGLNHILAALTIFLKTLAVNFRIRVCELGDEILPTLLYIWTQHRLNDSLKEVIIELFQLQIYIHHPKGAKTQEKGAYESTKWRSILYNLYDLLVNEISHIGSRGKYSSGFRNIAVKENLIELMADICHQVFNEDTRSLEISQSYTTTQRESSDYSVPCKRKKIELGWEVIKDHLQKSQNDFDLVPWLQIATQLISKYPASLPNCELSPLLMILSQLLPQQRHGERTPYVLRCLTEVALCQDKRSNLESSQKSDLLKLWNKIWCITFRGISSEQIQAENFGLLGAIIQGSLVEVDREFWKLFTGSACRPSCPAVCCLTLALTTSIVPGTVKMGIEQNMCEVNRSFSLKESIMKWLLFYQLEGDLENSTEVPPILHSNFPHLVLEKILVSLTMKNCKAAMNFFQSVPECEHHQKDKEELSFSEVEELFLQTTFDKMDFLTIVRECGIEKHQSSIGFSVHQNLKESLDRCLLGLSEQLLNNYSSEITNSETLVRCSRLLVGVLGCYCYMGVIAEEEAYKSELFQKAKSLMQCAGESITLFKNKTNEEFRIGSLRNMMQLCTRCLSNCTKKSPNKIASGFFLRLLTSKLMNDIADICKSLASFIKKPFDRGEVESMEDDTNGNLMEVEDQSSMNLFNDYPDSSVSDANEPGESQSTIGAINPLAEEYLSKQDLLFLDMLKFLCLCVTTAQTNTVSFRAADIRRKLLMLIDSSTLEPTKSLHLHMYLMLLKELPGEEYPLPMEDVLELLKPLSNVCSLYRRDQDVCKTILNHVLHVVKNLGQSNMDSENTRDAQGQFLTVIGAFWHLTKERKYIFSVRMALVNCLKTLLEADPYSKWAILNVMGKDFPVNEVFTQFLADNHHQVRMLAAESINRLFQDTKGDSSRLLKALPLKLQQTAFENAYLKAQEGMREMSHSAENPETLDEIYNRKSVLLTLIAVVLSCSPICEKQALFALCKSVKENGLEPHLVKKVLEKVSETFGYRRLEDFMASHLDYLVLEWLNLQDTEYNLSSFPFILLNYTNIEDFYRSCYKVLIPHLVIRSHFDEVKSIANQIQEDWKSLLTDCFPKILVNILPYFAYEGTRDSGMAQQRETATKVYDMLKSENLLGKQIDHLFISNLPEIVVELLMTLHEPANSSASQSTDLCDFSGDLDPAPNPPHFPSHVIKATFAYISNCHKTKLKSILEILSKSPDSYQKILLAICEQAAETNNVYKKHRILKIYHLFVSLLLKDIKSGLGGAWAFVLRDVIYTLIHYINQRPSCIMDVSLRSFSLCCDLLSQVCQTAVTYCKDALENHLHVIVGTLIPLVYEQVEVQKQVLDLLKYLVIDNKDNENLYITIKLLDPFPDHVVFKDLRITQQKIKYSRGPFSLLEEINHFLSVSVYDALPLTRLEGLKDLRRQLELHKDQMVDIMRASQDNPQDGIMVKLVVNLLQLSKMAINHTGEKEVLEAVGSCLGEVGPIDFSTIAIQHSKDASYTKALKLFEDKELQWTFIMLTYLNNTLVEDCVKVRSAAVTCLKNILATKTGHSFWEIYKMTTDPMLAYLQPFRTSRKKFLEVPRFDKENPFEGLDDINLWIPLSENHDIWIKTLTCAFLDSGGTKCEILQLLKPMCEVKTDFCQTVLPYLIHDILLQDTNESWRNLLSTHVQGFFTSCLRHFSQTSRSTTPANLDSESEHFFRCCLDKKSQRTMLAVVDYMRRQKRPSSGTIFNDAFWLDLNYLEVAKVAQSCAAHFTALLYAEIYADKKSMDDQEKRSLAFEEGSQSTTISSLSEKSKEETGISLQDLLLEIYRSIGEPDSLYGCGGGKMLQPITRL-RTYEHEAMWGKALVTYDLETAIPSST------RQAGIIQALQNLGLCHILSVYLKGLDYENKDWCPELEELHYQAAWRNMQWDHCTSVSKE-----VEGTSYHESLYNALQSLRD-----REFSTFYESLKYARVKEVEEMCKRSLESVYSLYPTLSRLQAIGELESIGELFSRSVT--HRQLSEVYIKWQKHSQLLKDSDFSFQEPIMALRTVILEILMEKEMDNSQ--RECIKDILTKHLVELSILARTFKNTQLPERAIFQIKQYNSVSCGVSEWQLEEAQVFWAKKEQSLALSILKQMIKKLDASCAANNPSLKLTYTECLRVCGNWLAETCLENPAVIMQTYLEKAVEVAGNYDGESSDELRNGKMKAFLSLARFSDTQYQRIENYMKSSEFENKQALLKRAKEEVGLLREHKIQTNRYTVKVQRELELDELALRALKEDRKRFLCKAVENYINCLLS-GEEH-DMWVFRLCSLWLENSGVSEVNGMMKRDGMKIPTYKFLPLMYQLAARMGTKMMGGLGFHEVLNNLISRISMDHPHHTLFIILALANANRDEFLTKPEVARRSRITKNVPKQSSQLDEDR--TEAANRIICTIRSRRPQMV-------R------------SVEALCDAYIILA--------NLDA------------------------------------TQWKTQ-R-KGINIPADQPITKLK-NLEDVVV-PTMEIKVDHTGEY-------GNLVTIQSFKAEFRLAG-GVNLPKIIDCVGSDGKERRQLVKG--RDDLRQDAVMQQVFQMCNTLLQRNTETRKRKLTICTYKVVPLSQRSGVLEWCTGTVPIGEFLVNNEDGAHKRYRPNDFSAFQCQKKMMEVQ---KKSFEEKYEVFMDVCQNFQP-VFRYFCMEKFLDPAIWFEKRLAYTRSVATSSIVGYILGLGDRHVQNILINEQSAELVHIDLGVA-----------FEQG---KILPTPETVPFRLTRDIVDGMGITGVEGVFRRCCEKTMEVMRNSQETLLTIVEVLLYDPLFDWTMNPLKALYLQQRPEDETELHPTLNADDQECKRNLSDIDQSFNKVAERVLMRLQEKLKGVE--EGTVLSVGGQVNLLIQQAIDPKNLSRLFPGWKAWV 5Y81 Chain:B ((4-1115)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------WYQSINILESIQSNTSIDNT------------------------K-IIEANEDALLELYVNLQEEDMFYGLWRRRAKYTETNIGLSYEQI--WDKAQQLYEVAQVKAR--QSEYALWEDNWIQCAEKL---DVLTELAKHE---------GFTDLLLECGWRV------RDALEQSVKSVMDVPTPRRQMFKTFLALQNFAESR-GDQEVRKLCDEGIQLSLIKW-----RYTPAHKWLLHGFQQYMEFLEATQIYANLHTTTAQEIKRILQAWRDRLP-----DVNMWNDLVTWRQHAFQVINNAYLPLIPAL--RGYHEIAWVINRFAHVARKHNMPDVCISQLARIYT------------EAFLKLREQAKCHYQNMNELTTGLDVISN--------GTVQKAEFFTLKGMFLSKL------EANQAFAT-AVQI------------DLNLAKAWAQWGFFNDRRLSEEP----------------------------------------------------------SFASNAISCYLQAAGLYKNSKIRELLCRILWLISIDDASGMLTNAFDSFRGEIPVWYWITFIPQLLTSLSHKE------ANMVRHILIRIAKSYPQALHFQLRTTKEDFAVI----------------------------QPWEYLQELNNILKTAYPLLALSLESLVAQINDRFKSTTDEDLFRLINVLLIDGTLNYNRLP----PENTEKNLVKFSTTLLAPYIRPKFNADFYETYIKRLRYWRRRLENKLDR----------CPHLSNFHHQKFEDIEIP--GQYLLNKDNNVHFIKIARFLPTVDFVRGTHSSYRRLMIRGHDGSVHSFAVQYPAVRHSRREERMFQLYRLFNKSLSKNVETRRRSIQFNLPIAIPLSPQVRIMNDSVSFTTLHEIHNEF--CKKKGFDP-DDIQDFMADKLNAAHDDAPDMTILKVEIFNSIQTMFV-NVLKDHFTSLF--FEDFWLFRKQFASQYSSFVFMSYMMMINNRTPHKIHVDKTSGNVFTLEMLPSRFPYERVKPLLKNHDLDSPIFHNNEPVPFRLTPNIQSLIGDSALEGIFAVNLFTISRALIEPDNELNTYLALFIRDEIISWFSNLHR----------------------------------QLREMVQTNVDLIIRKVAQLGHLNSTPTVTTQFILDCIGSAVSPRNLARTDVNFMPWF

General information: TITO was launched using: RESULT: Template: 5Y81.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3510 -60978 -17.37 -70.99 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : -17.37 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.081

(partial model without unconserved sides chains): PDB file : Tito_5Y81.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5y81-query.scw PDB file : Tito_Scwrl_5Y81.pdb: