Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAETLAPNDVGGISVTKLFSSDSTAALGQQLSSIFSNLNSTPNDRQQRAEECLSALTDTLFLHENELGANESLHERIIALIDGTFCTSVDKGCSSFRVVFDVKWKDQHEKRNRCFVLLLSRAFKCTTPEDCLKVIQCLGEVLED-NIRT---TTDLLADNVEPLLRDLFAADVHRRTVACEVLAKIVSTT-TFIIKRNPTLLELLTS-SCA--PLVTLKDAMETRNLWHRTALIRLTSALVENCYEVT--PA-VAKDVADLVFRYMRA--------------------AEDE-SQLVGVLSALIHVAVTPAFVSAPWDLPQLVRFLCETDWSVYAVATRVAAVAAINKVAFFFCQEEKACYEALRTRSLEFISLDDAVEVVTEGLELIKEMEVLERELHLGTAVVNALCACIQRL-PHVPIIYELLELIRERYGDLEVKPIYSLLEGYLDTKQELLNFGKVNALLRFAGPRIRLDDPRLAQLRINVGANQPIPVILHSLPLLTTLQRTEQL-HEVLEILS-HDDRGVRRVAVSTALELCEIMMERNKFRNATPKGGVQRMQWLDEEVSNAVERVLDVAVADRDPEIRLWALQHLTVPFFPYLC------LCDNLDAIFMARND-NDKATRDQALTLLCQLLPYHPT-VVQPQLQRAQEYMLHDVAT--MDASVSFAVCK-AGLLKMCVDHEALLIEK--STVEAIVLRRLEAQPFI---------------------------------SRSLSIALLQLIRSILERTASQHHSDFHSFLRPLLL-IVNG-GDSCTRRREALETLTAFISHITKT--DISGLSEVYRAVARIIRRETEEEESVTIAAMKVLSSIGAVTPVKMRHVFRMVESDEMEEEEEVVTPALAHCKPRLRISTDMPERYPSTVLYYLVRSLQLALDPKQQVDTLVAVRTMLHDVEGKVKLNLLTQLLPQLQTWLRDPERAFLYETVLGLMNDLAILLCQFKESVAPSVGHELLRSVQAFCLLPQASQKPFSAYVVQLLDSLAKGIPAQEMRDNRWAIEFIHQRLS-----QNK-NDLDLVHRVVKSLESFIAVMHEKELQMILPHVLQCIEP-AKASPGGKLSKSKDINDACFDFLNFVMAKQ-LTLVKHCCAQIVHTIMWYIELADSNEEMDVGLNTLATLVDTVKMPAKRFIMPIERVAVRNGFPPQYFVNLVQSAAGGAKIRMTTSNGTGLNPDRPITLVSHLPRLSQAEFEHEMRSTPRSENVLIDVLDVRHHQGQTMIDFRFHPGTDTAACCNLFSRKATDNKSAMRRNLGILRVEQTEESPRPVGADVIKALANLPVAKTKKREQSWVLWLHNATVTLLRNSPYAVLRDTCAVADRNTELAKDLFPFAVAAVCGHLETPLRAQLMDIFDRALAAAPADVKQGLFCFAEFMESERDDDRVKLVKVMRESVFSVDRESTSQKFGINYDQDPERGVIVTKLAPNGLGARAGVPIGAQLLAINDIPVRAVSDIRGLIEGLTHIELLLSYEVEEKTKSKPKPLMNLEVLASVAFSGEMHIKAIYFNEVLFESLSSKICKITDRKDSQMRRVMTIAEDLIQYYRHLNMTMTANGLLKTLTRKFSDEIFAPEQFGFEEIASLEQLNWWSEALRRYEARMASFGARYLEVASLVGVLRCEQALGHSSRVQELAEQYWEQLPVDAQREVAPFRAKAAFCLGAWDTFDALALDKRMQSCFGVVERCAALFRAECHDELLRYTDKVRESMLESFADSLNENYNRAYEGMTRLQHLRHFEELVSFTTACEERQALLKRVWHRRLVQMSSRPDDLMTVLSINSLVLEPEDDLHSYVYVIRCLCKSQWFSHAEHLLQRLLRENASLEVLCECDPELIHTYIKYVYLAKDKHGAYVELKNILSAVEVDPEDPRAEMWGQCWLLLGEWTMYLFPDCGEEAIKELMCATELGPNSAAAFHSLGILHCDLARDPSTQGEVQNNHLICCINSLFKSIQLCNDVPGSLVMQDVLRILSVWFANSSIREINEAVHHGVQVVADHVWLNVVPQLIARIGIEARYARAILTDLLIRVGSQYSHALIYPLTVAEKSPDAVRRHMAERVIMGMRNIPENDRIVKEASLVSNEMVRIAILWTEKWHAAIQQAAYKPNNTAAIFSMLQPLYAELDRASTPNELSFRCNFGQTLRRAKVALEEAKTEEAWGFLRQVYAQLRRGVLERRLYMSDVSPTLDGIQDSIVAVPGTFEHDKPLITILKFHSRVYVMPSKQKPRRIGLDASDGKKYRFLLKGHEDMRQDERVMQFIRLIDTIFQSDNAASAIGLSIPQYAVIPLTDNVGVVGWVENTETIYKMLETYRQAHEVSIYEEVNLIMKKGGLDTIEDYHRLPKQQRKALLNYAMENTPKNELRHIFWDHNDTCEQWLSYRQTYGQTLAAMSMVGYVLGLGDRHLNNLMLQGNGTVVHIDFGDCFEVAMHRALYAEAVPFRLTRLLVCALGITGVDGLYRMTCELAMKNLHRHSENLLSILEAFIYDPIINWRLNTVNDVTEKSGSKSAQQESSNGGTAALAGETAAAACLGVDDAAQAEAKPVAMQLSKSVSKLVPHSALPGESQMFENGEETRNQQGDLALARVQAKLTGQDFGVVNSSFSMMRSSRRLEAGGSQPQGSSWGSNSLAGFTDSPKDSFAAPLLTTYLSLRVLNGGAESLDVPHQVDRLIQEATSLDNLSDAFLTGWAPFW 3W3U Chain:A ((136-1064)) --------------------------------------------------------------------AWPELLQALIESLKSGNPNFRESSFRILTTVPYLIT---AVDINSILPIFQS-GFTDASDNVKIAAVTAFVGYFKQLPKSEWSKLGILLPSLLNSLPRFLDDGKDDALASVFESLIELVELAPKLFKDMFDQIIQFTDMVIKNKDLEPPARTTA---LE--------LLTVFSENAPQMCKSNQNYGQTLVMVTLIMMTEVSIDDDDAAEWIESDDTDDEEEVTYDHAAAALARVA--LKLG--GEY-L-AAPLFQYLQQMITSTE-WRERFAAMMALSSAAAGCADVLI-------------GEIPKILDMVIPLIND--------------------------PHPRVQYGCCKVLGQISTAFSPFI-------------------QR----------------------------------T-------------AHDRILPALISKLTSECTSRVQTHAAAALVAFSEFASKD----------------ILEPYLDSLLTNLL-VLLQSNKLYVQEQALTTIA-FIAEAAKNKFIKYYDTLMPLLLNVLKVN--SVLKGKCMECATLIGFAVGKEKFHEHSQELISILVALQNSDIDED--DALRSYLEQSWSRICRILGDDFVPLLPIVIPPLLITAK-ATQDVGLIEEEEAANFQQYPDWDVVQVQGKHIAIHTSVLDDKVSAMELLQSYAT-LLRGQFAVYVKEVMEEIALPSLDFYLHDGVRAAGATLIPILLSCLLAAEELVLLWHKASSKLIGGLMSE--PMPEITQVYHNSLVNGIKVMGDNCLS-EDQLAAFT-----------KGVSANLTDTYERMQDR--DEYNE-------FTDED-LLDEINKSIAAVLKTTNGHY-LKNLENIWPMINTFLLDNE-PILVIFALVVIGD---LIQYGGEQTASMKN-AFIPKVTECLISPD---ARIRQAASYIIGVCAQYAPSTYADVCIPTLDTLVQIVDPGSKLEENRSSTENASAAIAKILYAY-------VDTYTANWFKTLPTITDK----------EAASFNYQFLSQL-IENNS---QSNISAVVDSVIQALNERSLT-----VISSVKKLLGFL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W3U.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 : 3905 -203816 -52.19 -255.41 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -52.19 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_3W3U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W3U-query.scw PDB file : Tito_Scwrl_3W3U.pdb: