Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLVLNDLLICCRQLEHDRATERKKEVEKFKRLIRDPETIKHLDRHSDSKQGKYLNWDAVFRFLQKYIQKETECLRIAKPNVSASTQASRQKKMQEISSLVKYFIKCANRRAPRLKCQELLNYIMDTVKDSSNGAIYGADCSNILLKDILSVRKYWCEISQQQWLELFSVYFRLYLKPSQDVHRVLVARIIHAVTKGCCSQTDGLNSKFLDFFSKAIQCARQEKSSSGLNHILAALTIFLKTLAVNFRIRVCELGDEILPTLLYIWTQHRLNDSLKEVIIELFQLQIYIHHPKGAKTQEKGAYESTKWRSILYNLYDLLVNEISHIGSRGKYSSGFRNIAVKENLIELMADICHQVFNEDTRSLEISQSYTTTQRESSDYSVPCKRKKIELGWEVIKDHLQKSQNDFDLVPWLQIATQLISKYPASLPNCELSPLLMILSQLLPQQRHGERTPYVLRCLTEVALCQDKRSNLESSQKSDLLKLWNKIWCITFRGISSEQIQAENFGLLGAIIQGSLVEVDREFWKLFTGSACRPSCPAVCCLTLALTTSIVPGTVKMGIEQNMCEVNRSFSLKESIMKWLLFYQLEGDLENSTEVPPILHSNFPHLVLEKILVSLTMKNCKAAMNFFQSVPECEHHQKDKEELSFSEVEELFLQTTFDKMDFLTIVRECGIEKHQSSIGFSVHQNLKESLDRCLLGLSEQLLNNYSSEITNSETLVRCSRLLVGVLGCYCYMGVIAEEEAYKSELFQKAKSLMQCAGESITLFKNKTNEEFRIGSLRNMMQLCTRCLSNCTKKSPNKIASGFFLRLLTSKLMNDIADICKSLASFIKKPFDRGEVESMEDDTNGNLMEVEDQSSMNLFNDYPDSSVSDANEPGESQSTIGAINPLAEEYLSKQDLLFLDMLKFLCLCVTTAQTNTVSFRAADIRRKLLMLIDSSTLEPTKSLHLHMYLMLLKELPGEEYPLPMEDVLELLKPLSNVCSLYRRDQDVCKTILNHVLHVVKNLGQSNMDSENTRDAQGQFLTVIGAFWHLTKERKYIFSVRMALVNCLKTLLEADPYSKWAILNVMGKDFPVNEVFTQFLADNHHQVRMLAAESINRLFQDTKGDSSRLLKALPLKLQQTAFENAYLKAQEGMREMSHSAENPETLDEIYNRKSVLLTLIAVVLSCSPICEKQALFALCKSVKENGLEPHLVKKVLEKVSETFGYRRLEDFMASHLDYLVLEWLNLQDTEYNLSSFPFILLNYTNIEDFYRSCYKVLIPHLVIRSHFDEVKSIANQIQEDWKSLLTDCFPKILVNILPYFAYEGTRDSGMAQQRETATKVYDMLKSENLLGKQIDHLFISNLPEIVVELLMTLHEPANSSASQSTDLCDFSGDLDPAPNPPHFPSHVIKATFAYISNCHKTKLKSILEILSKSPDSYQKILLAICEQAAETNNVYKKHRILKIYHLFVSLLLKDIKSGLGGAWAFVLRDVIYTLIHYINQRPSCIMDVSLRSFSLCCDLLSQVCQTAVTYCKDALENHLHVIVGTLIPLVYEQVEVQKQVLDLLKYLVIDNKDNENLYITIKLLDPFPDHVVFKDLRITQQKIKYSRGPFSLLEEINHFLSVSVYDALPLTRLEGLKDLRRQLELHKDQMVDIMRASQDNPQDGIMVKLVVNLLQLSKMAINHTGEKEVLEAVGSCLGEVGPIDFSTIAIQHSKDASYTKALKLFEDKELQWTFIMLTYLNNTLVEDCVKVRSAAVTCLKNILATKTGHSFWEIYKMTTDPMLAYLQPFRTSRKKFLEVPRFDKENPFEGLDDINLWIPLSENHDIWIKTLTCAFLDSGGTKCEILQLLKPMCEVKTDFCQTVLPYLIHDILLQDTNESWRNLLSTHVQGFFTSCLRHFSQTSRSTTPANLDSESEHFFRCCLDKKSQRTMLAVVDYMRRQKRPSSGTIFNDAFWLDLNYLEVAKVAQSCAAHFTALLYAEIYADKKSMDDQEKRSLAFEEGSQSTTISSLSEKSKEETGISLQDLLLEIYRSIGEPDSLYGCGGGKMLQPITRLR-TYEHEAMWGKALVTYDLETAIPS-----------STRQAGIIQALQNLGLCHILSVYLKGLDYENKDWCPELEELHYQAAWRNMQWDHCTSVSKE-----VEGTSYHESLYNALQSLRD-----REFSTFYESLKYARVKEVEEMCKRSLESVYSLYPTLSRLQAIGELESIGELFSRS-----V----THRQLSEVYIKWQKHSQLLKDSDFSFQEPIMALRTVILEILMEKEMDNSQ--RECIKDILTKHLVELSILARTFKNTQLPERAIFQIKQYNSVSCGVSEWQLEEAQVFWAKK-EQSLALSILKQMIKKLDASCAANNPSLKLTYTECLRVCGNWLAETCLENPAVIMQTYLEKAVEVAGNYDGESSDELRNGKMKAFLSLARFSDTQYQRIENYMKSSEFENKQALLKRAKEEVGLLREHKIQTNRYTVKVQRELELDELALRALKEDRKRFLCKAVENYINCLLS-GE-EHDMWVFRLCSLWLENSGVSEVNGMMKRDGMKIPTYKFLPLMYQLAARMGTKMMGGLGFHEVLNNLISRISMDHPHHTLFIILALANANRDEFLTKPEVARRSRITKNVPKQSSQL-DEDR--TEAANRIICTIRSRRPQMVRSVEALCDAYII-------------------------------------LANLDA--------------------------TQWKTQ-RK-GINIPADQPITK----LKN-----LEDVVVPTMEIKVDHTGEYGNLVTIQSFKAEFRLA-GGVNLPKIIDCVGSDGKERRQLVKG--RDDLRQDAVMQQVFQMCNTLLQRNTETRKRKLTICTYKVVPLSQRSGVLEWCTGTVPIGEFLVNN--EDGAHKRYRPNDFSAFQCQKKMMEVQ------KKSFEEKYEVFMDVCQNFQP--VFRYFCMEKFLDPAIWFEKRLAYTRSVATSSIVGYILGLGDRHVQNILINEQSAELVHIDLGVAFE---------QGK-ILPTPETVPFRLTRDIVDGMGITGVEGVFRRCCEKTMEVMRNSQETLLTIVEVLLYDPLFDWTMNPLKALYLQQRPEDETELHPTLNADDQECKRNLSDIDQSFNKVAERVLMRLQEKLKGVE--EGTVLSVGGQVNLLIQQAIDPKNLSRLFPGWKAWV 5OEJ Chain:B ((2540-3825)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGDILNPLIDI---SAETIHNAWVVVFPVA-----S-RYELEFTRALVKLLFKDYHI--------------------------PNVIKSLLDGVGKC---------------------PHLVKYLGSNYNAWYGAIKLLEELSEGQGIDN-------------------------QKISDANQDALLEVYMSLQEDDMFYGTWRRRAKYFETNAALSYEQIGIWDKALQLYEAAQIKARSGVFPFGESEYSLWEDHWIYCAEKLQHWEILTELAKHE--G-------FTDLLLECGWRGADWIADREPLEQSVKTVMDIPTPRRQIFQTFLALQGFSQQKDTLQDVSRLCDEGIQLTLRKWNALPQRVTRAHIGLLHTFQQYVELMEASQVYSSLVTTNAQNLDVKSQELKRVLQAWRERLPN----DINIWNDLVTWRQHVFGVINRV------SYAYRGYHEMAWVINRFAHVARK-----VCINQLTK----------AFLKLREQAKC-----SELNTGLDVIS----------------ATQQKAEFFTLKGMFLAKLN--AKDEA-NQAFATAVQI------------DLNLPKAWAEWGFFNDRRFKENP-------------------------------------------------------EEIFHAKNAISCYLQAAGLYKDGKTRKLLCRILWLISLDDAAGSLAKTFEDHHGESPVWYWITFVPQLLTSLSHKE------AKIVRHILIQIAKSYPQSLHFQLRTTKEDYQ--------------------------TTDSRQPWQDVEEIMGILKTAYPLLALSLESLVDQLNQRFKCNADEDAYRLVIVLYNDGVQQMNRPAATEASISRFADSVLPKNIREVFEQDIIACNPNLETYISKLRKWRDCLEEKL----GKADLERVSLHLSLFHHQKFEDIEIPGQYLLHKD--NNNHFIKIERFLPTLDLVRGSNGCYKRMTIRGNDGSLHPFAVQFPAARHCRREERIFQLFRIFDDALSRKVQSRRRNISLTLPIAVPLSPHIRILNDDKRYTTLMGIYEEFCRRKGQS-----RDEPFAYTIQKLRAAFDPRLPKPDIVSVRAEVLASIQSTLVPSTLLKDYYTEKFSNYENYWLFRKQFTAQYASFIFMTYIMCINSRQPQKIHINEGSGNIWT---STAYNNSTLDPAVKAGAPIFYNTESVPFRLTPNIQKFIGEAGLEGILSVYILVIANSLSDSEFDMEQYLSLFVRDEVISWFAQQHRASAQTN----------------------------QLREIVRVNVELLTKRVLQLNHIPNSQNVATQFVLNLISQAVNPRNLAYTDSAWMAYL

General information: TITO was launched using: RESULT: Template: 5OEJ.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 : 3524 2184 0.62 2.28 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : 0.62 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.075

(partial model without unconserved sides chains): PDB file : Tito_5OEJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5oej-query.scw PDB file : Tito_Scwrl_5OEJ.pdb: