Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAETLAPNDVGGISVTKLFSSDSTAALGQQLSSIFSNLNSTPNDRQQRAEECLSALTDTLFLHENELGA--NESLHERIIALIDG--TFCTSVDKGCSSFRVVFDVKW-----------K--DQHEKRNRCFVLLLSRAFKCTTPEDCLKVIQCLGEVLEDNIRTTTDLLADNVEPLLRDLFA----ADVHRRTVACEVLAKIVSTT-TFI----IKRNPTLLELLTS-SCA--PLVTLKDAMETRNLWHRTALIRLTSALVENCYEVTPA--VAKDVADLVFRYMRAA-EDE-SQLVGVLSALIHVAVTP-AFVSAPWDLPQLVRFLC-ETDWSVYAVATRVAAVAAINKVAFFFCQEEKACYEALRTRSLEFISLDDAVEVVTEGLELIKEMEVLERELHLGTAVVNALCACIQRLPHVPIIYELLELIRERYGDLEVKPIYSLLEGYLDTKQELLNFGKVNALLRFAGPRIRLDDPRLAQLRINVGANQPIPVILHSLPLLTTLQRTEQL-HEVLEILSHDDRGVRRVAVSTALELCEIMMERNKFRNATPKGGVQRMQWLDEEVSNAVERVLDVAVADRDPEIRLWALQHLTVPFFPYLC--------LCDNLDAIFMARNDNDKATRDQALTLLCQLLPYHPT-------VVQPQLQRAQEYMLHDVA-TMDASVSFAVCK-AGLLKMCVDHEALLIEK--STVEAIVLRRLEAQPFI---------S----RSLSIALLQLIRSILERTASQHHSDFHSFLRPLLLIVNGG--DSCTRRREALETLTAFISHITKTDISGLSEVYRAVARIIRRETEEEESVTIAAMKVLSSIGAVTPVKMRHVFRMVESDEMEEEEEVVTPALAHCKPRLRISTDMPERYPSTVLYYLVRSLQL--ALDPKQQVDTLVAVRTMLHDVEGKVKLNLLTQLLPQLQTWLRDPE-----------RAFLYETVLGLMNDLAILLCQFKE-----SVAPSVGHELLRSVQAFCLLPQASQKPFSAYVVQLLDSLAKGIPAQ-EM-RDNRWAIEFIHQRLSQ----NKNDLDLVHRVVKSLESFIAVMHEKELQMILPHVLQCIEPAKASPGGKLSKSKDINDACFDFLNFVMAKQLTLVKHCCAQIVHTIMWYIELADSNEEMDVGLNTLATLVDTVKMPAKRFIMPIERVAVRNGFPPQYFVNLVQSAAGGAKIRMTTSNGTGLNPDRPITLVSHLPRLSQAEFEHEMRSTPRSENVLIDVLDVRHHQGQTMIDFRFHPGTDTAACCNLFSRKATDNKSAMRRNLGILRVEQTEESPRPVGADVIKALANLPVAKTKKREQSWVLWLHNATVTLLRNSPYAVLRDTCAVADRNTELAKDLFPFAVAAVCGHLETPLRAQLMDIFDRALAAAPADVKQGLFCFAEFMESERDDDRVKLVKVMRESVFSVDRESTSQKFGINYDQDPERGVIVTKLAPNGLGARAGVPIGAQLLAINDIPVRAVSDIRGLIEGLTHIELLLSYEVEEKTKSKPKPLMNLEVLASVAFSGEMHIKAIYFNEVLFESLSSKICKITDRKDSQMRRVMTIAEDLIQYYRHLNMTMTANGLLKTLTRKFSDEIFAPEQFGFEEIASLEQLNWWSEALRRYEARMASFGARYLEVASLVGVLRCEQALGHSSRVQELAEQYWEQLPVDAQREVAPFRAKAAFCLGAWDTFDALALDKRMQSCFGVVERCAALFRAECHDELLRYTDKVRESMLESFADSLNENYNRAYEGMTRLQHLRHFEELVSFTTACEERQALLKRVWHRRLVQMSSRPDDLMTVLSINSLVLEPEDDLHSYVYVIRCLCKSQWFSHAEHLLQRLLRENASLEVLCECDPELIHTYIKYVYLAKDKHGAYVELKNILSAVEVDPEDPRAEMWGQCWLLLGEWTMYLFPDCGEEAIKELMCATELGPNSAAAFHSLGILHCDLARDPSTQGEVQNNHLICCINSLFKSIQLCNDVPGSLVMQDVLRILSVWFANSSIREINEAVHHGVQVVADHVWLNVVPQLIARIGIEARYARAILTDLLIRVGSQYSHALIYPLTVAEKSPDAVRRHMAERVIMGMRNIPENDRIVKEASLVSNEMVRIAILWTEKWHAAIQQAAYKPNNTAAIFSMLQPLYAELDRASTPNELSFRCNFGQTLRRAKVALEEAKTEEAWGFLRQVYAQLRRGVLERRLYMSDVSPTLDGIQDSIVAVPGTFEHDKPLITILKFHSRVYVMPSKQKPRRIGLDASDGKKYRFLLKGHEDMRQDERVMQFIRLIDTIFQSDNAASAIGLSIPQYAVIPLTDNVGVVGWVENTETIYKMLETYRQAHEVSIYEEVNLIMKKGGLDTIEDYHRLPKQQRKALLNYAMENTPKNELRHIFWDHNDTCEQWLSYRQTYGQTLAAMSMVGYVLGLGDRHLNNLMLQGNGTVVHIDFGDCFEVAMHRALYAEAVPFRLTRLLVCALGITGVDGLYRMTCELAMKNLHRHSENLLSILEAFIYDPIINWRLNTVNDVTEKSGSKSAQQESSNGGTAALAGETAAAACLGVDDAAQAEAKPVAMQLSKSVSKLVPHSALPGESQMFENGEETRNQQGDLALARVQAKLTGQDFGVVNSSFSMMRSSRRLEAGGSQPQGSSWGSNSLAGFTDSPKDSFAAPLLTTYLSLRVLNGGAESLDVPHQVDRLIQEATSLDNLSDAFLTGWAPFW 4XRI Chain:A ((10-871)) ----------------------------PDINIILENSLSPDATLRHAAEQQLTHAA-----------ETNFSQYLLTLVQALANESSEGHIRAAAGIALKNAFSAREFARQAALQAKWLNQTDQETRTRVKQLALE-TLASPNSKAGQAAAQVIAAIAAI------ELPRNQWPELMHALVRNASEGGQHQKQASLTAIGFICETQDTDLRNSLVGHSNAILTAVVQGARKEEPNNEVRFAA---I--------TALGDSLEFVGNNFKHEGERNYIMQVVCEATQAQDSRIQQGAFGCLNRIM--ALYYEHMRY--Y-MEKALFGLTILGMKSDD-EDVAKLAVEFWSTVCEEEIAIED---DN--AQVESSEQMRPFYNFARVA--------------------TN---------EVVPVLLQLLTKQDEDASDDE-YNISRAAYQCLQLYAQAVGS-----------------------------------------------TIIPPVIQFVEHNLRHADWHFRDAAVSAFGAIMDGPEEK----------------VLEPIVKTGMQPLI-AMMEDESIQVRDSTAYALG-RITEACSEAIDPNTHLEPLIRSLFNGLMN-SPKMAASCCWALMNIAERFAGEPGAAQNPLTPHFNQSVTNLLTVTAPMNGD--STVRTAAYEVLSVFVQNAANDSLSAVASLSTVILQRLE-ETLPLQQQVVSVEDKLILEDMQTSLCTVLQATVQ-RLDKEIAPQGDRIMQVLLQILSTCGGKSSVPEGVFAAISALANAMEEEFAKYMEAFAPFLYNALGNQ--EEPSLCSMAIGLVSDVTRSLGERSQ------------------------------------P-YCDNFMNYLLGNLRSTTLANQ-FKPAILQCFGDIASAIGGHF-ETYLTIVAQVLQQAATITAGPDGSYEMIDYVISLREGIMDAWGG---IIGAMKTSNKTNVLQPYVE-SIFALLNSIANDPN-RSEALMRASMGVIGDLADAYPNGQLADAFRQDWITAMIRETRSNREFGARTIETARWAREQVKRQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XRI.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 : 3815 -49915 -13.08 -64.99 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -13.08 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_4XRI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XRI-query.scw PDB file : Tito_Scwrl_4XRI.pdb: