Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAETLAPNDVGGISVTKLFSSDSTAALGQQLSSIFSNLNSTPNDRQQRAEECLSALTDTLFLHENELGANESLHERIIALIDGTFCTSVDKGCSSFRVVFDVKWKDQHEKRNRCFVLLLSRAFKCTTPEDCLKVIQCLGEVLEDNIRTTTDLLADNVEPLLRDLFAADVHRRTVACEVLAKIVSTTTFIIKRNPTLLELLTSSCAPLVTLKDAMETRNLWHRTALIRLTSALVENCYEVTPAVAKDVADLVFRYMRAAEDESQLVGVLSALIHVAVTPAFVSAPWDLPQLVRFLCETDWSVYAVATRVAAVAAINKVAFFFCQEEKACYEALRTRSLEFISLDDAVEVVTEGLELIKEMEVLERELHLGTAVVNALCACIQRLPHVPIIYELLELIRERYGDLEVKPIYSLLEGYLDTKQELLNFGKVNALLRFAGPRIRLDDPRLAQLRINVGANQPIPVILHSLPLLTTLQRTEQLHEVLEILSHDDRGVRRVAVSTALELCEIMMERNKFRNATPKGGVQRMQWLDEEVSNAVERVLDVAVADRDPEIRLWALQHLTVPFFPYLCLCDNLDAIFMARNDNDKATRDQALTLLCQLLPYHPTVVQPQLQRAQEYMLHDVATMDASVSFAVCKAGLLKMCVDHEALLIEKSTVEAIVLRRLEAQPFISRSLSIALLQLIRSILERTASQHHSDFHSFLRPLLLIVNGGDSCTRRREALETLTAFISHITKTDISGLSEVYRAVARIIRRETEEEESVTIAAMKVLSSIGAVTPVKMRHVFRMVESDEMEEEEEVVTPALAHCKPRLRISTDMPERYPSTVLYYLVRSLQLALDPKQQVDTLVAVRTMLHDVEGKVKLNLLTQLLPQLQTWLRDPERAFLYETVLGLMNDLAILLCQFKESVAPSVGHELLRSVQAFCLLPQASQKPFSAYVVQLLDSLAKGIPAQEMRDNRWAIEFIHQRLSQNKNDLDLVHRVVKSLESFIAVMHEKELQMILPHVLQCIEPAKASPGGKLSKSKDINDACFDFLNFVMAKQLTLVKHCCAQIVHTIMWYIELADSNEEMDVGLNTLATLVDTVKMPAKRFIMPIERVAVRNGFPPQYFVNLVQSAAGGAKIRMTTSNGTGLNPDRPITLVSHLPRLSQAEFEHEMRSTPRSENVLIDVLDVRHHQGQTMIDFRFHPGTDTAACCNLFSRKATDNKSAMRRNLGILRVEQTEESPRPVGADVIKALANLPVAKTKKREQSWVLWLHNATVTLLRNSPYAVLRDTCAVADRNTELAKDLFPFAVAAVCGHLETPLRAQLMDIFDRALAAAPADVKQGLFCFAEFMESERDDDRVKLVKVMRESVFSVDRESTSQKFGINYDQDPERGVIVTKLAPNGLGARAGVPIGAQLLAINDIPVRAVSDIRGLIEGLTHIELLLSYEVEEKTKSKPKPLMNLEVLASVAFSGEMHIKAIYFNEVLFESLSSKICKITDRKDSQMRRVMTIAEDLIQYYRHLNMTMTANGLLKTLTRKFSDEIFAPEQFGFEEIASLEQLNWWSEALRRYEARMASFGARYLEVASLVGVLRCEQALGHSSRVQELAEQYWEQLPVDAQREVAPFRAKAAFCLGAWDTFDALALDKRMQSCFGVVERCAALFRAECHDELLRYTDKVRESMLESFADSLNENYNRAYEGMTRLQHLRHFEELVSFTTACEERQALLKRVWHRRLVQMSSRPDDLMTVLSINSLVLEPEDDLHSYVYVIRCLCKSQWFSHAEHLLQRLLRENASLEVLCECDPELIHTYIKYVYLAKDKHGAYVELKNILSAVEVDPEDPRAEMWGQCWLLLGEWTMYLFPDCGEEAIKELMCATELGPNSAAAFHSLGILHCDLARDPSTQGEVQNNHLICCINSLFKSIQLCNDVPGSLVMQDVLRILSVWFANSSIREINEAVHHGVQVVADHVWLNVVPQLIARIGIEARYARAILTDLLIRVGSQYSHALIYPLTVAEKSPDAVRRHMAERVIMGMRNIPENDRIVKEASLVSNEMVRIAILWTEKWHAAIQQAAYKPNNTAAIFSMLQPLYAELDRASTPNELSFRCNFGQTLRRAKVALEEAKTEEAWGFLRQVYAQLRRGVLERRLYMSDVSPTLDGIQDSIVAVPGTFEHDKPLITILKFHSR-VYVMPSKQKPRRIGLDASDGKKYRFLLKGHEDMRQDERVMQFIRLIDTIFQSDNAASAIGLSIPQYAVIPLTDNVGVVGWVENTETIYKMLETYRQAHEVSIYEEVNLIMKKGGLDTIEDYHRLPKQQRKALLNYAMENTPKNELRHIFWDHNDTC----EQWLSYRQTYGQTLAAMSMVGYVLGLGDRHLNNLMLQGNGTVVHIDFGDCFEVAMHRALYAEAVPFRLTRLLVCALGITGV--DGLYRMTCELAMKNLHRHSENLLSILEAFIYDPIINWRLNTVNDVTEKSGSKSAQQESSNGGTAALAGETAAAACLGVDDAAQAEAKPVAMQLSKSVSKLVPHSALPGESQMFENGEETRNQQGDLALARVQAKLTGQDFGVVNSSFSMMRSSRRLEAGGSQPQGSSWGSNSLAGFTDSPKDSFAAPLLTTYLSLRVLNGGAESLDVPHQVDRLIQEATSLDNLSDAFLTGWAPFW 5KC2 Chain:C ((584-821)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DPDVLICDVCPETSKVFKSSLSPLKITFKTTLNQPYHLMFKVGDDLRQDQLVVQIISLMNELLKNEN----VDLKLTPYKILATGPQEGAIEFIPN-DTLASILSKYHGIL--------GYL----------------------------------------KLHYPDENATLGVQGWVLDNFVKSCAGYCVITYILGVGDRHLDNLLVTPDGHFFHADFGYILGQDP----KPFPPLMKLPPQIIEAFGGAESSNYDKFRSYCFVAYSILRRNAGLILNLFELMKTSNIPDIRI-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5KC2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 916 -43453 -47.44 -188.11 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.52 3D Compatibility (PKB) : -47.44 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.406

(partial model without unconserved sides chains): PDB file : Tito_5KC2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KC2-query.scw PDB file : Tito_Scwrl_5KC2.pdb: