Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQMHWTAARGQLSGPQHSQHPSPQASSTHASQKQQQQQHLHQNGPPGLAAAGMGGGSAGVNISSGPAAGASAVRANVNSNAFHSPRFSHPMGPLPPAQNPQQQVFSVSQQPPGAQLQQQQRSPRSLSGPTPNNVVSGNRSGLETSAALAGREAPAISGANSAAAHTSSAAVGVFLSGTRTNFTDFGAAAAYGLGAGGVGSPSGPTANAGSILADANDEEVNQLLRELEFSVDSPHALAVLRDAVDAIEARALANFDPLSRDTFLEQRIRDVLTELSRTSNERSLLLAVSLIEALIPIAYTSPHSKYTRLCRSLSVLRQSGNEKAAREAQRVYKLLLEADARYPGPESPLKAFVQKELRENCEQALLQLHGRVQQAKAAFPAQFFSVMLGCAATAEVNPRYISGKTRAQAIQLGTMLTGSPDPLLRKAAYECLVAIFRNTSNMRPNELVLESRRLCDECMRTLNASQHNEGHVVSALKALHALLSSRGLSAIDRQVIPQLCVLVTEQHRVSKSLLVRSAVCDLVPIIAPVDIASMPRRTTYCAIIMEPVKNVRDERFKAHELHNVASFVRSVGYRVLDATNRTNLESILHRYISRPETQEACWSIMAAICASSASASGGAASVAPMGGRRVDYVSTSTTLPSPTTQNTHQDLSLTPSMVEGRKASQHSSRENLATSPSALQRHFSYHHGDDNDDQVSVPLVSVRTTSQRSAGTCSLSASPTSTNAPAFNLSTFSVHHTVTIDDVVLRCLPYLAHAILTQSLVDSLRVIQASCPQLRADVQMALDKLVDSVLKEPFAPSATAAAVTLPQYFSQLPSSTAQQQQQAHSLHSRDGGDGSAGGFSSAAMNSASRTAGSHPLSPASGPEPVMTLSRPGTCSTPIGVGAVGRLTQYFRPSESAAIHRGEGSTSSPTPTSPVGMRNTSGPLPSGNNSFLGPDSAYTVGGGDSNSGAPYGAGGPLRCSPLSTSMSAPFSPVTHMAAGGSGAGGGNAAAAPPSVLKNDLTVALKVFTERPLTSVQHLHDLKNSVIAFQRHE-----DPLVRQQSSETIISSLRQWIAYAKEHKTSTYSTRVTEILEAYMKNVLMEVDR-QCGLYEITLLA-----NATNLRAFLSEQRILSSLLSFLNSTALVREKTVELLV------AITQDSKPSPSVVAVQQSLYVTVESCVVVLEYTNDVSMLLRSMADLQTFTRLCIRQLNNHLSRIFYAFRKRLLEVSVPDVVLLSILKTLEIILQALAKDEKTILQYQDDVLELYDPV------VEILKQSPSPTLSHAAINVLVYVHEMCIPSASTDLRKQQELITALTHVYTSSTCTVNESLSMLTLFGQLGAIDPSAQSVATTAKKKEEAVIQDEADL----------ELTYDYTVIVYRTLSRMLDASLSDAVCSQALRTLL--QFIRFTQDKKDLVGGVHAVRAVLQITKRVTDSPALRVEALHVLAAVTAMRHERIVRLMLPEIVVLLEQLWTPKDRLLFRAVLEVVSALKPGKLSGKEQSESWAWLYPRLVDVALQDRTESREFCLRVVEIVLNASYIPPHCIPVVFPMLLQFLQQSDQLVDVRSQSLCAAVHIVCELKAVQFFSSLLHGICTLTRHCELNEDLGPRISTPGVRESLKVLAALHPSGRSTIKMLRDRIGEGDERMTNPTGSSIFNTMGLPATSVTSLAGGGSTSSMLVMGPATGNASGGQGGGLGVENPANSGIGPLVNIGGFGASTAGGGAAAAGGAAGGGSYLRLTNVSETFAGAEEEDVGLTLSADTAGQEVDLFMKHVELGFRLKENKLREWFA-EFQKYIILISPHPAFRMMVDLLDKHEPLRRGLFLPSFKCLYESLSADQIKKLNEMLTLVLNCSDHELSSKCLGLADYLDHNEPNVKPEVLEVVRSMRRVDYHRVSHPSENGSLLLRSTESSTNNVVSLRTRSSASAGLPKAEFSTSSDAPIDVLPMAKVRGRKAPVFQRSSNSSAGVAGDESGTAGAEASSGASTALASPKNSANGRRSASRRDVEMYEFTSFDGNENGATESGRQQSQPIALPTSETPAQEEEAERRSCSPVDTLDGAESENKAEDVVAPVSTDHPSVGVLGAAGVHVMGSYRPLVNSVVRRCDSNAPQQSGVTSQFHIISTASTHSNDLSSDSRDGDLPPAGAHIPAQPNMLFSTEDIVRAAERTRMYDKALSYLENRLLAMLNLYRYTKMPREVIHKTVWPLAWLYSQREMQDSVVGLFR-AIRYEGGEDQAGFGYELLCWWSKAQNTYAKSITQQAMRDMTVPPHILEGYVRTLTLCGEWSRAYDVAMQVCSRPEAYVSSTVARCGATAAWLLGRWDDVQHLAERLSMSEQHTTALRLFFLNGVALKSAITEHSSAAYENLRHMITQSKLVIDESLRTLLPLSYTHAYESLTMLQHFTEMEETIDYCHCRSTKGRQQIYERWNNRFRSLNPDSLQPSLLSLMLHSLVLSTGEMADMILHFCETRQSS-HPQLAEWAMSWLRHGSFSGRSSNLCSPSAASPASPGPVEGITVATLSSVDKNPKVAVGFITHLWSQGKRQAAVESMEMFLRDCGKDLEENNAT-----------CYGDAQLRLGTWKQELHADSFWERGFRDEELGHFHKAIRAVPSSYEAWHSWGLMNYR-IQQRDHNLSPEDQR------------TFVEAAHQGFVGAICRCKDSSEALPAVMRLLQLWVIHNGVELLKETVADSISRIPIDHWVQTIPQLIGHLSSDSHDIREVIGMILRSLCEVHPQATVFPLLVVMMSDASTSGSNHNALNSNGDESNIVSGASAMSDSSNPLARKQEIVQGIIQHCPKRIFHEA-EAVAKLLVDVSAIPIEKIRENLSQVAAAWNPNAEYEEDPEEVYRRLQNTLDIFHANRRHLLFTVGDIGQFVQMVMEDDRNGQREKAAGVVSQLIEEISKHVAEKLGREPQKAMEPLLHLRNLSVAVFGEYDGHCRDHYPTIASFSSKLDVIPSKKRPRRIQLNGSDGCLYTYCLKGNEDIRMDERVMQLLGMVNVLLSHTRISSSAY--IHRFPVIPISSNVGLLGWVENANTINNTICNYRTNISNVRTHQESSVLRAYVGSFGNWDKLSLIQRTEILDFVMQSEHCEAVDVSRAMWHRANTAEQWLDRRTAFTVSLATMSMVGYVLGLGDRHLGNILISMSSGKIVHIDFGDSFDVGRLRHVLPETIPFRLTRMLTNAMEVFGVDGVFRASATRTQTTLHKNRDSIMALLSAFVHDPIVQYKGKMKNIMEKSRSPQDIAERIRNKLRGMEMAIDHSKVNIFNTTQDSCRRPDLLYMSTAFDDTAVRTQSLAMTPEEQVSFLIDEATRIDNYTTMYFGWGPLW 5H64 Chain:A ((210-2549)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VAALRACLILTTQREPKEMQKPQWYRHTFEEAEKGFDETLAKEKGMNRDDRIHGALLILNELVRISSMEGERLREEMEEITQQQLVHDKYCKDLMGFGTKPRHITPFTSFQAVQPQQSNALVGLLGYSSHQGLMGFGTSPSPAKSTLVESRCCRDLMEEKFDQVCQWVLKCRNSKNSLIQMTILNLLPRLAAFRPSAFTDTQYLQDTMNHVLSCVKVLYDLSRQIPQLKKDIQDGLLKMLSLVLMHKPLRHPGMPKGLAHQLASPGLTTLPEASDVGSITLALRTLGSFEFEGHSLTQFVRHCADHFLNSEHKEIRMEAARTCSRLLTPSIHLISGHAHVVSQTAVQVVADVLSKLLVVGITDPDPDIRYCVLASLDERFDAHLAQAENLQALFVALNDQVFEIRELAICTVGRLSSMNPAFVMPFLRKMLIQILTELEHSGIGRIKEQSAR----MLGHLVSNAPRLIRPYMEPILKALILKLKDPDPDPNPGVINNVLAT-IGELAQVSGLEMRKWVDELFIIIMDMLQDSSLLAKR--QVALWTLGQLVASTGYVVEPYRK-----------------YPTLLEVLLNFLK---TEQNQGTRREAI---RVLGLLGALDPYKHKVNIGMIDQSRDASAVSLSESKSSQDSSM-LVNMGNLPLDEFYPAVSMVALMRIFRDQSLSHHHTMVVQAITFIFKSLGLKCVQFLPQVMPTFLNVIRVCDGAIREFLFQQLGMLVSFVKSHIRPYMDEIVTLMREFWVMNTSIQSTIILLIEQIVVALGGEFKLYLPQLIPHMLRVFMHD---NSPGRIVSIKLLAAIQLFGANLDDYLHLLLPPIVKLFDAPEAPLPSRKAALETVDRLTESL---------------DFT--DYASRIIHPIVRTLDQSP------ELRSTAMDTLSSLVFQLGKKYQIFIPMVNKVLVRHRINHQRYDVLICRIVKGYTLMKKLHVSTINLQK-----AWGAARRVSKDDWLEWLRRLSLELLKDS---SSPSLRSCWALAQAYNPMARDLFNAAFVSCWSELNEDQQDELIRSIELALTSQDIAE-----------------------------------------VTQTLLNLAEFMEHSDKGPLP-----LRDDNGIVLLGER----AAKCRAYAKALHYKELEFQKGPT------------PAILESLISINNKLQQPEAAAGVLEYAMKHFGELEIQATWYEKLHEWEDALVAYDKKMDTN-----KDDPELMLGRMRCLEALGEWGQLHQQCCEKWTLVNDETQAKMARMAAAAAWGLGQW---DSMEEYTCMIPRDT-------HDGAFYRAVLALHQDL-FSLAQQCIDKARDLLDAELTAMAGESYSRAYGAMVSCHMLSELEEVIQYKL--VPERREIIRQIWWERLQGC-QRIVEDWQKILMVRSLVVSPHEDMRTWLKYASLCGKSGRLALAHKTLVLLLG---VDPSRQLDHP------------------LPTV--HPQVTYAYMKNMWKSARKIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGEWQLNLQGIN---ESTIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKHQNQARDEKKKVTEDLSKTLLMYTVPAVQGFFRSISLSRGNN--LQDTLRVLTLWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTVAS---KSTTTARHNAANKI--LKNMCEHSNTLVQQAMMVSEELIRVAIL----WHEMWHEGLEEASRLYFG---------ERNVKGMFEVLEPLHAMME-------RGPQTLKETSFNQAY-GRDLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYDPN--QPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMA----PDYDHLTLMQKVEVFEHAVNNTAGD--DLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTNTALNKKAIQ-IINRVRDKLTGRDFSHDDT-----------------------------------LDVPTQVELLIKQATSHENLCQCYIGWCPFW

General information: TITO was launched using: RESULT: Template: 5H64.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 : 10146 25458 2.51 12.50 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 2.51 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.245

(partial model without unconserved sides chains): PDB file : Tito_5H64.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5H64-query.scw PDB file : Tito_Scwrl_5H64.pdb: