Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQMHWTAARGQLSGPQHSQHPSPQASSTHASQKQQQQQHLHQNGPPGLAAAGMGGGSAGVNISSGPAAGASAVRANVNSNAFHSPRFSHPMGPLPPAQNPQQQVFSVSQQPPGAQLQQQQRSPRSLSGPTPNNVVSGNRSGLETSAALAGREAPAISGANSAAAHTSSAAVGVFLSGTRTNFTDFGAAAAYGLGAGGVGSPSGPTANAGSILADANDEEVNQLLRELEFSVDSPHALAVLRDAVDAIEARALANFDPLSRDTFLEQRIRDVLTELSRTSNERSLLLAVSLIEALIPIAYTSPHSKYTRLCRSLSVLRQSGNEKAAREAQRVYKLLLEADARYPGPESPLKAFVQKELRENCEQALLQLHGRVQQAKAAFPAQFFSVMLGCAATAEVNPRYISGKTRAQAIQLGTMLTGSPDPLLRKAAYECLVAIFRNTSNMRPNELVLESRRLCDECMRTLNASQHNEGHVVSALKALHALLSSRGLSAIDRQVIPQLCVLVTEQHRVSKSLLVRSAVCDLVPIIAPVDIASMPRRTTYCAIIMEPVKNVRDERFKAHELHNVASFVRSVGYRVLDATNRTNLESILHRYISRPETQEACWSIMAAICASSASASGGAASVAPMGGRRVDYVSTSTTLPSPTTQNTHQDLSLTPSMVEGRKASQHSSRENLATSPSALQRHFSYHHGDDNDDQVSVPLVSVRTTSQRSAGTCSLSASPTSTNAPAFNLSTFSVHHTVTIDDVVLRCLPYLAHAILTQSLVDSLRVIQASCPQLRADVQMALDKLVDSVLKEPFAPSATAAAVTLPQYFSQLPSSTAQQQQQAHSLHSRDGGDGSAGGFSSAAMNSASRTAGSHPLSPASGPEPVMTLSRPGTCSTPIGVGAVGRLTQYFRPSESAAIHRGEGSTSSPTPTSPVGMRNTSGPLPSGNNSFLGPDSAYTVGGGDSNSGAPYGAGGPLRCSPLSTSMSAPFSPVTHMAAGGSGAGGGNAAAAPPSVLKNDLTVALKVFTERPLTSVQHLHDLKNSVIAFQRHEDPLVRQQSSETIISSL--RQWIAYAKEHKTSTYSTRVTEILEAYMKNVLMEVDRQCGLYEITLLANATNLRAFLSEQRILSSLLSFLNSTALVREKTVELLVAITQDSKPSPSVVAVQQSLYVTVESCVVVL--EYTNDVSMLLRS-MADLQTFTRLCIRQLNNHLSRIFYAFRKRLLEVSVPDVVLLSILKTLEIILQALAKDEKTILQYQDDVLELYDPVVEILKQSPSPTLSHAAINVLVYVHEMCIPSASTDLRKQQELITALTHVYTSSTCTVNESLSMLTLFGQLGA-IDPSAQSVATTAKKKEEAVIQDEADLELTYDYTVI---VYRTLSRMLDASLSDAVCSQALRTLLQFIRFTQDKKDLVGGVHAVRAVLQITKRVTDSPALRVEALHVLAAVTAMRHERIVRLMLPEIVVLLEQLWTPKDRLLFRAVLEVVSALKPG-KLSGKEQSESWAWLYPRLVDVALQDRTESREFCLRVVEIVLNASYIPPHCIPVVFPMLLQFLQQSDQLVDVRSQSLCAAVHIVCELKAVQFFSSLLHGICTLTRHCELNEDLGPRISTPGVRESLKVLAALHPSGRSTIKMLRDRIGEGDERMTNPTGSSIFNTMGLPATSVTSLAGGGSTSSMLVMGPATGNASGGQGGGLGVENPANSGIGPLVNIGGFGASTAGGGAAAAGGAAGGGSYLRLTNVSETFAGAEEEDVGLTLSADTAGQEVDLFMKHVELGFRLKENKLREWFAEFQKYIILISPHPAFRMMVDLLDKHEPLRRGLFLPSFKCLY--ESLSADQIKKLNEMLTLVLNCSDHELSSKCLGLADYLDHNEPNVKPEVLEVVRSMRRVDYHRVSHPSENGSLLLRSTESSTNNVVSLRTRSSASAGLPKAEFSTSSDAPIDVLPMAKVRGRKAPVFQRSSNSSAGVAGDESGTAGAEASSGASTALASPKNSANGRRSASRRDVEMYEFTSFDGNENGATESGRQQSQPIALPTSETPAQEEEAERRSCSPVDTLDGAESENKAEDVVAPVSTDHPSVGVLGAAGVHVMGSYRPLVNSVVRRCDSNAPQQSGVTSQFHIISTASTHSNDLSSDSRDGD---LPPAGAHIPAQPNMLFSTEDIVRAAERTRMYDKALSYLENRLLAMLNLYRYTKMPREVIHKTVWPLAWLYSQREMQDSVVGLFRAIRYEGGEDQAGFGYELLCWWSKAQNTYAKSITQQAMRDMTVPPHILEGYVRTLTLCGEWSRAYDVAMQVCSRPEAYVSSTVARCGATAAWLLGRWDDVQHLAERLSMSEQHTTALRLFFLNGVALKSAITEHSSAAYENLRHMITQSKLVIDESLRTLLPLSYTHAYESLTMLQHFTEMEETIDYCHC-RSTKGRQQIYERWNNRFRSLNPDSLQPSLLSLMLHSLVLSTGEMADMILHFCETRQSSHPQLAEWAMSWLRHGSFSGRSSNLCSPSAASPASPGPVEGITVATLSSVDKNPKVAVGFITHLWSQGKRQAAVESMEMFLRDCGKDL-----EENNATCYGDAQLRLGTWKQELHADSFWERGFRDEELGHFHKAIRAVPSSYEAWHSWGLMNYRIQ----------------QRDHNLSPEDQRTFVEAAHQGFVGAICRCKDSSEALPAVMRLLQLWVIHNGVELLKETVADSISRIPIDHWVQTIPQLIGHLSSDSHDIREVIGMILRSLCEVHPQATVFPLLVVMMSDASTSGSNHNALNSNGDESNIVSGASAMSDSSNPLARKQEIVQGIIQHCPKRIFHEAEAVAKLLVDVSAIPIEKIRENLSQVAAAW---NPNAEYEEDPEEVYRRLQNTLDIFHANRRHLLFTVGDIGQFVQMVMEDDRN---GQREKAAGVVSQLIEEISKHVAEKLGREPQKAMEPLLHLRNLSVAVFGEYDGHCRDHYPTIASFSSKLDVIPSKKRPRRIQLNGSDGCLYTYCLKGNEDIRMDERVMQLLGMVNVLLSHTRISSSAY--IHRFPVIPISSNVGLLGWVENANTINNTICNYRTNISNVRTHQESSVLRAYVGSFGNWDKLSLIQRTEILDFVMQSEHCEAVDVSRAMWHRANTAEQWLDRRTAFTVSLATMSMVGYVLGLGDRHLGNILISMSSGKIVHIDFGDSFDVGRLRHVLPETIPFRLTRMLTNAMEVFGVDGVFRASATRTQTTLHKNRDSIMALLSAFVHDPIVQYKGKMKN--IMEKSRSPQDIAERIRNKLRGMEMAIDHSKVNIFNTTQDSCRRPDLLYMSTAFDDTAVRTQSL-AMTPEEQVSFLIDEATRIDNYTTMYFGWGPLW 5FVM Chain:A ((85-2469)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NVKAFDLIFTKLNQLERVAASYELKSCLISLVSTEYFQRFSNDINNKVFELIH-------DSNEKLGGVLAVDTLIDELPNQTSRLANYLRVLIDIEVMRAAATTLGKLAVLTSEFVEFEVKTCIEWLTQEYRKHASLLIISSYPFVNSILDNIWRALRKLVIRTDAAVTLGKCLTSSLTKKWVQRLFNGCIHGTLLVYRQLVSLELKDKYEEIYETTMKHRDNIIIRKEIYAIIPVLA---------ADPKLFTQKYLDATMIHYLTL---LLSDKGPILVSIGDIAYHIGPYLDAIVENLRDGLETKFKTRKEKDIFYCVSKLACAVRPLLAKYLNRGLLDASDHMQETLLVICEKISMEVTVNEKLLNIICLVLSGEKF---RPPGSPTPMKSLSSETARAYRDQSLLRKTG----------TLDAMILRKALRMLSDIKPKYSLTEFIRRVIISYMEHDNMQVRKLAALTSCDLFVKSLYALNVVSEVLSK---------LLTVAITDPVAEIRLEILKHLDRLSQPDNTKLLFMALNDE--VFAIQMEAMKICGRLAVIPSLRKTLIQLLTELKHS----KMTRKKEECASLLCTLISSSS--DVTKPYLEPVIEILLPSAVASTALKALGEISVVGGEDMLPFLDELMPLIIDTFQDQSN---SFKRGAALKALGQLAASSYPELLGVLINILSQNIRRETVRLIGILGALDPYKHRE-VDVALLMQGEEYYPTVVIGVLMKILKDSIHHSTVIQAIMHIFQTMFLKQIIPGFILVMHPPSLLELYFQQLSVLISIVKQ-----------HIRPHVTEIVDVISLTIISVIESLSR-ALEGEFNPHLPTILSLFLDVLENKKVVSVRILKSLVVFGPHLEEYVHLVLPTIIKLSSGNLKKAAIITIGRLSKNNALEMSSRIVQALVRVLNETEYVKATMNTLSLLLLQLNIDFTVFIPVINKTLTIYDRLVAKLLNNE-PLPTKIIIDKDFDLPNKEMDDVKV---ASKKLPVNQMVLKNAWDCSQQRTKEDWQEWIRRLSIESSSHALRACSGLAGIYYPLARELFNASFAQYQEDLIQSLCAALSSTLLNLVEFMEHDDKPLPISISTLGEYAQRCHAYAKALHYKELEFIEEPS------------TSTIESLITINNQLHQTDAAIGILKHAQQHHDLQLKETWYEKLQRWDDALNAYNKREAEVTIGKMRSLHAL-----------GEWDQLSELAADKWASSE--VKRAIAPLAAGAAWGLAQWDRVEQYIEVMKPQS-----------PDKAFFDAILCLHRNNFEKAAEHIFSARDLLVTEMSAL----YNRAYGVVVRTQMVAELEEIIQYKKLPQGSERRAMIRKTWNKRLLGCQNVDVWQRVLKVRSLV-IKPKQDMKVWIKFANLCRKSGRLGLAQKTLNTLL------------------------------------EAPPPVVYAQLKYMWATGSQKEALNHLISFTSRMAHDLGLQHHIEDYTKLLARCFLKQGEWRVSLQPN--WRLENPDAILGSYLLATHFDKTWYKAWHNWALANFEVTSSLTQRIKDDKVPPTLNANDNFPPELVQRHVVPAIKGFFHSIALSQSS---LQDTLRLLTLWFKFGGIPEAAQAMHEGFGLIKIDNWLEVIPQLISRIHQPNQTVSRSLLSLLADLGKAHPQALVYPLTVAIKSD------------------------------SVSRQRAALSIIDKMRMHSPKLVNQAELVSDELIRVAVLWHELWYEGLEDASRQFFGEHNTEKMFATLEPLHEMLKRGPETLREISFQNSFG-RDLNDAYEWVLNYKRTKDINNLNQAWDIYYNVFRRISRKLPQLQTLDLQHVSPKLSAAKDLELAVPGTY--HAGKPIVRITHFEPVFTVISSKQRPRRVIIKGSDGKDYQYLLKSHEDIRQDNLVMQLFGLVNTLLQNDPESFQRHLNIQQYPAIPLSPKTGLLGWVPNSDTFHVLIREHREA-SKIPLNIEHRIMLQMAPDYDN---LTLLQKVEVFTYALDNT--KGQDLYKVLWLKSRSSESWLDRRTTYTRSLAVMSMVGYILGLGDRHPSNLMLDRITGKVVHIDFGDCFEAAILREKYPEKVPFRLTRMLTYAMEVSGIEGSFRITCENVMMVLRDNKESLMAILEAFAYDPLINWGFDLPTHAVMEQTGIDLPLANPSELLRKGVISVEDAAKMELQQKAEVRNARATLVLKRIADKLTGNDFPRCQELSVPDQVDKLIQQATSVENLCQHYIGWCS--

General information: TITO was launched using: RESULT: Template: 5FVM.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 : 9725 267 0.03 0.13 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 0.03 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.246

(partial model without unconserved sides chains): PDB file : Tito_5FVM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FVM-query.scw PDB file : Tito_Scwrl_5FVM.pdb: