Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAETLAPNDVGGISVTKLFSSDSTAALGQQLSSIFSNLNSTPNDRQQRAEECLSALTDTLFLHENELGANESLHERIIALIDGTFCTSVDKGCSSFRVVFDVKWKDQHEKRNRCFVLLLSRAFKCTTPEDCLKVIQCLGEVLEDNIRTTTDLLADNVEPLLRDLFAADVHRRTVACEVLAKIVSTTTFIIKRNPTLLELLTSSCAPLVTLKDAMETRNLWHRTALIRLTSALVENCYEVTPAVAKDVADLVFRYMRAAEDESQLVGVLSALIHVAVTPAFVSAPWDLPQLVRFLCETDWSVYAVATRVAAVAAINKVAFFFCQEEKACYEALRTRSLEFISLDDAVEVVTEGLELIKEMEVLERELHLGTAVVNALCACIQRLPHVPIIYELLELIRERYGDLEVKPIYSLLEGYLDTKQELLNFGKVNALLRFAGPRIRLDDPRLAQLRINVGANQPIPVILHSLPLLTTLQRTEQLHEVLEILSHDDRGVRRVAVSTALELCEIMMERNKFRNATPKGGVQRMQWLDEEVSNAVERVLDVAVADRDPEIRLWALQHLTVPFFPYLCLCDNLDAIFMARNDNDKATRDQALTLLCQLLPYHPTVVQPQLQRAQEYMLHDVATMDASVSFAVCKAGLLKMCVDHEALLIEKSTVEAIVLRRLEAQPFISRSLSIALLQLIRSILERTASQHHSDFHSFLRPLLLIVNGGDSCTRRREALETLTAFISHITKTDISGLSEVYRAVARIIRRETEEEESVTIAAMKVLSSIGAVTPVKMRHVFRMVESDEMEEEEEVVTPALAHCKPRLRISTDMPERYPSTVLYYLVRSLQLALDPKQQVDTLVAVRTMLHDVEGKVKLNLLTQLLPQLQTWLRDPERAFLYETVLGLMNDLAILLCQFKESVAPSVGHELLRSVQAFCLLPQASQKPFSAYVVQLLDSLAKGIPAQEMRDNRWAIEFIHQRLSQNKNDLDLVHRVVKSLESFIAVMHEKELQMILPHVLQCIEPAKASPGGKLSKSKDINDACFDFLNFVMAKQLTLVKHCCAQIVHTIMWYIELADSNEEMDVGLNTLATLVDTVKMPAKRFIMPIERVAVRNGFPPQYFVNLVQSAAGGAKIRMTTSNGTGLNPDRPITLVSHLPRLSQAEFEHEMRSTPRSENVLIDVLDVRHHQGQTMIDFRFHPGTDTAACCNLFSRKATDNKSAMRRNLGILRVEQTEESPRPVGADVIKALANLPVAKTKKREQSWVLWLHNATVTLLRNSPYAVLRDTCAVADRNTELAKDLFPFAVAAVCGHLETPLRAQLMDIFDRALAAAPADVKQGLFCFAEFMESERDDDRVKLVKVMRESVFSVDRESTSQKFGINYDQDPERGVIVTKLAPNGLGARAGVPIGAQLLAINDIPVRAVSDIRGLIEGLTHIELLLSYEVEEKTKSKPKPLMNLEVLASVAFSGEMHIKAIYFNEVLFESLSSKICKITDRKDSQMRRVMTIAEDLIQYYRHLNMTMTANGLLKTLTRKFSDEIFAPEQFGFEEIASLEQLNWWSEALRRYEARMASFGARYLEVASLVGVLRCEQALGHSSRVQELAEQYWEQLPVDAQREVAPFRAKAAFCLGAWDTFDALALDKRMQSCFGVVERCAALFRAECHDELLRYTDKVRESMLESFADSLNENYNRAYEGMTRLQHLRHFEELVSFTTACEERQALLKRVWHRRLVQMSSRPDDLMTVLSINSLVLEPEDDLHSYVYVIRCLCKSQWFSHAEHLLQRLLRENASLEV---LCECDPELIHTYIKYVYLAKDKHGAYVELKNILSAVEVDPEDPRA-----------EMWGQCWLLLGEWTMYL---FPDCGEEAIKELMCATELGPNSAAAFHSLGILHCDLARDPSTQGEVQNN--------------HLICCINSLFKSIQLCNDVPGSLVMQDVLRILSVWFANSSIREINEAVHHGVQVVADHVWLNVVPQLIARIGIEARYARAILTDLLIRVGSQYSHALIYPLTVAEKSPDAVRRHMAERVIMGMRNIPENDRIVKEASLVSNEMVRIAILWTEKWHAAIQQAA---YKPNNTAAIFSMLQPLYAELDR-ASTPNELSFRCNFGQTLRRAKVALEEAKT-------EEAWGFLRQVYAQLRRGVLE-RRLYMSDVSPTLDGIQDSIVAVPGTFEHDKPLITILKFHSRVYVMPSKQKPRRIGLDASDGKKYRFLLKGHEDMRQDERVMQFIRLIDTIFQSDNAASAIGLSIPQYAVIPLTDNVGVVGWVENTETIYKMLETYRQAHEVSIYEEVNLIMKKGGLDTIEDYHRLPKQQRKALLNYAMENTPKNELRHIFWDHNDTCEQWLSYRQTYGQTLAAMSMVGYVLGLGDRHLNNLML-QGNGTVVHIDFGDCFEVAMHRALYAEAVPFRLTRLLVCALGITGVDGLYRMTCELAMKNLHRHSENLLSILEAFIYDPIINWRLNTVNDVTEKSGSKSAQQESSNGGTAALAGETAAAACLGVDDAAQAEAKPVAMQLSKSVSKLVPHSAL----PGESQMFENGEETRNQQGDLALARVQAKLTGQDFGVVNSSFSMMRSSRRLEAGGSQPQGSSWGSNSLAGFTDSPKDSFAAPLLTTYLSLRVLNGGAESLDVPHQVDRLIQEATSLDNLSDAFLTGWAPFW 4JSP Chain:A ((10-1174)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ERAAKCRAYAKALHYKELEFQKGPT----------------PAILESLISINNKLQQPEAAAGVLEYAMKHFGELEI--------QATWYEKLHEWEDALVAYDKKMDTNKD---DPELMLGRMRCLEALGEWGQLHQQCCEKWTLVNDETQAKMARMAAAAAWGLGQWDSMEEYTCMIPRDTHDGAFYRAVLALHQDLFSLAQQCIDKARDLLDAELTAMAGESYSRAYGAMVSCHMLSELEEVIQYKLV-PERREIIRQIWWERLQGCQRIVEDWQKILMVRSLVVSPHEDMRTWLKYASLCGKSGRLALAHKTLVLLLGVDPSRQLDHPLPTVHPQVTYAYMKNMWKSARKIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGEWQLNLQGINESTIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKHQNQARDEKKKVTEDLSKTLLMYTVPAVQGFFRSISL----SRGNNLQDTLRVLTLWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTVASKSTTTARHNAANKILKNMCEHSNT--LVQQAMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGRDLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYDPNQPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMA-----PDYDHLTLMQKVEVFEHAVNNTAGDDLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTN-----TALNKKAIQIINRVRDKLTGR----------DFSHDDTLDVPTQVELLIKQATSHENLCQCYIGWCPFW---------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4JSP.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 : 4573 -126636 -27.69 -125.38 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -27.69 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_4JSP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JSP-query.scw PDB file : Tito_Scwrl_4JSP.pdb: