Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLVLNDLLICCRQLEHDRATERKKEVEKFKRLIRDPETIKHLDRHSDSKQGKYLNWDAVFRFLQKYIQKETECLRIAKPNVSASTQASRQKKMQEISSLVKYFIKCANRRAPRLKCQELLNYIMDTVKDSSNGAIYGADCSNILLKDILSVRKYWCEISQQQWLELFSVYFRLYLKPSQDVHRVLVARIIHAVTKGCCSQTDGLNSKFLDFFSKAIQCARQEKSSSGLNHILAALTIFLKTLAVNFRIRVCELGDEILPTLLYIWTQHRLNDSLKEVIIELFQLQIYIHHPKGAKTQEKGAYESTKWRSILYNLYDLLVNEISHIGSRGKYSSGFRNIAVKENLIELMADICHQVFNEDTRSLEISQSYTTTQRESSDYSVPCKRKKIELGWEVIKDHLQKSQNDFDLVPWLQIATQLISKYPASLPNCELSPLLMILSQLLPQQRHGERTPYVLRCLTEVALCQDKRSNLESSQKSDLLKLWNKIWCITFRGISSEQIQAENFGLLGAIIQGSLVEVDREFWKLFTGSACRPSCPAVCCLTLALTTSIVPGTVKMGIEQNMCEVNRSFSLKESIMKWLLFYQLEGDLENSTEVPPILHSNFPHLVLEKILVSLTMKNCKAAMNFFQSVPECEHHQKDKEELSFSEVEELFLQTTFDKMDFLTIVRECGIEKHQSSIGFSVHQNLKESLDRCLLGLSEQLLNNYSSEITNSETLVRCSRLLVGVLGCYCYMGVIAEEEAYKSELFQKAKSLMQCAGESITLFKNKTNEEFRIGSLRNMMQLCTRCLSNCTKKSPNKIASGFFLRLLTSKLMNDIADICKSLASFIKKPFDRGEVESMEDDTNGNLMEVEDQSSMNLFNDYPDSSVSDANEPGESQSTIGAINPLAEEYLSKQDLLFLDMLKFLCLCVTTAQTNTVSFRAADIRRKLLMLIDSSTLEPTKSLHLHMYLMLLKELPGEEYPLPMEDVLELLKPLSNVCSLYRRDQDVCKTILNHVLHVVKNLGQSNMDSENTRDAQGQFLTVIGAFWHLTKERKYIFSVRMALVNCLKTLLEADPYSKWAILNVMGKDFPVNEVFTQFLADNHHQVRMLAAESINRLFQDTKGDSSRLLKALPLKLQQTAFENAYLKAQEGMREMSHSAENPETLDEIYNRKSVLLTLIAVVLSCSPICEKQALFALCKSVKENGLEPHLVKKVLEKVSETFGYRRLEDFMASHLDYLVLEWLNLQDTEYNLSSFPFILLNYTNIEDFYRSCYKVLIPHLVIRSHFDEVKSIANQIQEDWKSLLTDCFPKILVNILPYFAYEGTRDSGMAQQRETATKVYDMLKSENLLGKQIDHLFISNLPEIVVELLMTLHEPANSSASQSTDLCDFSGDLDPAPNPPHFPSHVIKATFAYISNCHKTKLKSILEILSKSPDSYQKILLAICEQAAETNNVYKKHRILKIYHLFVSLLLKDIKSGLGGAWAFVLRDVIYTLIHYINQRPSCIMDVSLRSFSLCCDLLSQVCQTAVTYCKDALENHLHVIVGTLIPLVYEQVEVQKQVLDLLKYLVIDNKDNENLYITIKLLDPFPDHVVFKDLRITQQKIKYSRGPFSLLEEINHFLSVSVYDALPLTRLEGLKDLRRQLELHKDQMVDIMRASQDNPQDGIMVKLVVNLLQLSKMAINHTGEKEVLEAVGSCLGEVGPIDFSTIAIQHSKDASYTKALKLFEDKELQWTFIMLTYLNNTLVEDCVKVRSAAVTCLKNILATKTGHSFWEIYKMTTDPMLAYLQPFRTSRKKFLEVPRFDKENPFEGLDDINLWIPLSENHDIWIKTLTCAFLDSGGTKCEILQLLKPMCEVKTDFCQTVLPYLIHDILLQ--DTNESWRNLLSTHVQGFFTSCLRHFSQTSRSTTPANLDSESEHFFRCCLDKKSQRTMLAVVDYMRRQKRPSSGTIFNDAFWLDLNYLEVAKVAQSCAAHFTALLYAEIYADKKSMDDQEKRSLAFEEGSQSTTISSLSEKSKEETGISLQDLLLEIYRSIGEPDSLYGCGGGKMLQPITRLRTYEHEAMWGKALVTYDLETAIPSSTRQA-----GIIQALQNLGLCHILSVYLKGLDYENKDWCPELEELHYQAAWRNMQWDHCTSVSKEVEGTSYHESLYNALQSL-RDREFSTFYESLKYARVKEVEEMCKRSLESVYSLYPTLSRLQAIGELESIGELFSRSVTHRQLSEVYIKWQKHSQLLKDSDFSFQEPIMALRTVILEILMEKEMDNSQRECIKDILTKHLVELSILARTFKNTQLPERAIFQIKQYNSV-----SCGVS---EWQLEEAQVFWAKKEQSLALSILKQMIKKLDASCAANNPSLKLTYTECLRVCGNWLAETCLENPAVIMQTYLEKAV-EVAGNYDGESSDELRNGKMKAFLSLARFSDTQYQ---------RIENYMKSSEFENKQ--ALLKRAKEEVGLLREHKIQTNRYT---VKVQRELELDELALRALKEDRKRFLCKAVENYINCLLSGEEHDMWVFRLCSLWLENSGVSEVNGMMKRDGMKIPTYKFLPLMYQLAARMGTKMMGGLGFHEVLNNLISRISMDHPHHTLFIIL--ALANANRDEFLTKPEVA-RRSRITKNVPKQSSQLDEDRTEAANRIICTIRSRRPQMVRSVEALCDAYIILANLDATQWKTQRKGI--NIPADQPITKLKNLEDVVVPTMEIKVDHTGEYGNLVTIQSFKAEFRLAGGVNLPKIIDCVGSDGKERRQLVKG-RDDLRQDAVMQQVFQMCNTLLQRNTETRKRKLTICTYKVVPLSQRSGVLEWCTGTVPIGEFLVNNEDGAHKRYRPNDFSAFQCQKKMMEVQKKSFEEKYEVFMDVCQNFQPVFRYFCMEKFLDPAIWFEKRLAYTRSVATSSIVGYILGLGDRHVQNILINEQSAELVHIDLGVAFEQGKILPTPETVPFRLTRDIVDGMGITGVEGVFRRCCEKTMEVMRNSQETLLTIVEVLLYDPLFDWTMNPLKALYLQQRPEDETELHPTLNADDQECKRNLSDIDQSFNKVAERVLMRLQEKLKGVEEGTVLSVGGQVNLLIQQAIDPKNLSRLFPGWKAWV 6SKY Chain:A ((1774-2944)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------APKIVTLRVLPPILSKVKGFAERAFPFVVHLVLAYQLDKQQSAKRELSESLQEWL-----------------NFTSEPA--------KENLKLLINTILYLRTQPLPGESSIADRAHWLDVNMASAAAAATRCGMYKVALLFAELAAESTR-----------------S------------------DILLEIFENIDDPDAYYGLSQDASLSTVLARLEYENDGAKSLAFRGAQYDSHLRGRDLQSRQDCNALIKALSSLGLAGLSNSLLQS--Q--------SLDATFTTARKLEIWN----LPAPVNSDSWAVTVYKAYQSMYQAQELDTVRSMVHDGLKNTVRHLSSGSLNTSV-LRQQLGALAALTELDDILNVRDQS----ELQCTLATFEKRSKWMMSGRYADVSQILSCRETTLSMWSQRHNLRAAGLTSADARLVQIRGMLLSSDIFRFHRARQETLNLSTALSDLIPSCESLGLSVDAAIKMEAANALWDHGEMISSI----RMLQAIDKDSSLKKQSVPLSRSDLLSKIGYQVSVARLESPDAIQKKYLEPALKELKGKIEGREAGQV-------FHQFAVFCDEQLQNPDSLEDLARLQNLKKGKDEEVAQLK------------------------SHLAKAKQWQELDQQELRRVEQTRSEFLKLCIENYLLSLAASDEHDNDALRFMALWLEKSEEEVANEVVKKWINKVPTRKFALLMNQLSSRLQDH---NTLFQKLLIDLVYRICVDHPYHGMYHIWTGAR-------------VAVSRQRATDKIAKALSK---------NNKVSSIWPAIDQTSRVYHALA------MDRDPTRYKSGQKVPIKNSPVGQNFLSTMSNNPIPPPTLQIEVSANLDYSHVPMIHKFAPEMAIASGVSAPKILTAIGTDGRKYKQLVKGGNDDLRQDAIMEQVFAAVSELLKLHRETRQRNLGIRTYKVLPLTSSSGLIEFVSNTIPLHEYLMP----AHERYYPKDLKGSQCRKEIANAQTKNTETRIAVYRRVTERFHPVMRYFFMEYFPDPDEWFQKRTNYTRTTAAISMLGHVLGLGDRHGHNILLDHKTGEVVHIDLGVAFEMGRVLPVPELVPFRLTRDIVDGMGITKTEGVFRRCCEFTLDALREEAASIQTILDSLRHDTLYQWSISPVRMAKLQN-------------------------------SEADRAIEVVKKKL-----SKTLSVMATVNDLINQATSVSNLAVLYSGWAAYA

General information: TITO was launched using: RESULT: Template: 6SKY.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 : 4728 58275 12.33 55.29 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 12.33 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.141

(partial model without unconserved sides chains): PDB file : Tito_6SKY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6sky-query.scw PDB file : Tito_Scwrl_6SKY.pdb: