Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQMHWTAARGQLSGPQHSQHPSPQASSTHASQKQQQQQHLHQNGPPGLAAAGMGGGSAGVNISSGPAAGASAVRANVNSNAFHSPRFSHPMGPLPPAQNPQQQVFSVSQQPPGAQLQQQQRSPRSLSGPTPNNVVSGNRSGLETSAALAGREAPAISGANSAAAHTSSAAVGVFLSGTRTNFTDFGAAAAYGLGAGGVGSPSGPTANAGSILADANDEEVNQLLRELEFSVDSPHALAVLRDAVDAIEARALANFDPLSRDTFLEQRIRDVLTELSRTSNERSLLLAVSLIEALIPIAYTSPHSKYTRLCRSLSVLRQSGNEKAAREAQRVYKLLLEADARYPGPESPLKAFVQKELRENCEQALLQLHGRVQQAKAAFPAQFFSVMLGCAATAEVNPRYISGKTRAQAIQLGTMLTGSPDPLLRKAAYECLVAIFRNTSNMRPNELVLESRRLCDECMRTLNASQHNEGHVVSALKALHALLSSRGLSAIDRQVIPQLCVLVTEQHRVSKSLLVRSAVCDLVPIIAPVDIASMPRRTTYCAIIMEPVKNVRDERFKAHELHNVASFVRSVGYRVLDATNRTNLESILHRYISRPETQEACWSIMAAICASSASASGGAASVAPMGGRRVDYVSTSTTLPSPTTQNTHQDLSLTPSMVEGRKASQHSSRENLATSPSALQRHFSYHHGDDNDDQVSVPLVSVRTTSQRSAGTCSLSASPTSTNAPAFNLSTFSVHHTVTIDDVVLRCLPYLAHAILTQSLVDSLRVIQASCPQLRADVQMALDKLVDSVLKEPFAPSATAAAVTLPQYFSQLPSSTAQQQQQAHSLHSRDGGDGSAGGFSSAAMNSASRTAGSHPLSPASGPEPVMTLSRPGTCSTPIGVGAVGRLTQYFRPSESAAIHRGEGSTSSPTPTSPVGMRNTSGPLPSGNNSFLGPDSAYTVGGGDSNSGAPYGAGGPLRCSPLSTSMSAPFSPVTHMAAGGSGAGGGNAAAAPPSVLKNDLTVALKVFTERPLTSVQHLHDLKNSVIAFQRHEDPLVRQQSSETIISSLRQWIAYAKEHKTSTYSTRVTEILEAYMKNVLMEVDRQCGLYEITLLANATNLRAFLSEQRILSSLLSFLNSTALVREKTVELLVAITQDSKPSPSVVAVQQSLYVTVESCVVVLEYTNDVSMLLRSMADLQTFTRLCIRQLNNHLSRIFYAFRKRLLEVSVPDVVLLSILKTLEIILQALAKDEKTILQYQDDVLELYDPVVEILKQSPSPTLSHAAINVLVYVHEMCIPSASTDLRKQQELITALTHVYTSSTCTVNESLSMLTLFGQLGAIDPSAQSVATTAKKKEEAVIQDEADLELTYDYTVIVYRTLSRMLDASLSDAVCSQALRTLLQFIRFTQDKKDLVGGVHAVRAVLQITKRVTDSPALRVEALHVLAAVTAMRHERIVRLMLPEIVVLLEQLWTPKDRLLFRAVLEVVSALKPGKLSGKEQSESWAWLYPRLVDVALQDRTESREFCLRVVEIVLNASYIPPHCIPVVFPMLLQFLQQSDQLVDVRSQSLCAAVHIVCELKAVQFFSSLLHGICTLTRHCELNEDLGPRISTPGVRESLKVLAALHPSGRSTIKMLRDRIGEGDERMTNPTGSSIFNTMGLPATSVTSLAGGGSTSSMLVMGPATGNASGGQGGGLGVENPANSGIGPLVNIGGFGASTAGGGAAAAGGAAGGGSYLRLTNVSETFAGAEEEDVGLTLSADTAGQEVDLFMKHVELGFRLKENKLREWFAEFQKYIILISPHPAFRMMVDLLDKHEPLRRGLFLPSFKCLYESLSADQIKKLNEMLTLVLNCSDHELSSKCLGLADYLDHNEPNVKPEVLEVVRSMRRVDYHRVSHPSENGSLLLRSTESSTNNVVSLRTRSSASAGLPKAEFSTSSDAPIDVLPMAKVRGRKAPVFQRSSNSSAGVAGDESGTAGAEASSGASTALASPKNSANGRRSASRRDVEMYEFTSFDGNENGATESGRQQSQPIALPTSETPAQEEEAERRSCSPVDTLDGAESENKAEDVVAPVSTDHPSVGVLGAAGVHVMGSYRPLVNSVVRRCDSNAPQQSGVTSQFHIISTASTHSNDLSSDSRDGDLPPAGAHIPAQPNMLFSTEDIVRAAERTRMYDKALSYLENRLLAMLNLYRYTKMPREVIHKTVWPLAWLYSQREMQDSVVGLFRAIRYEGGEDQ-AGFGYELLCWWSKAQNTYAKSITQQAMRDMTVPPHILEGYVRTLTLCGEWSRAYDVAMQVCSRPEAYVSSTVARCGATAAWLLGRWDDVQHLAERLSMSEQHTTALRLFFLNGVALKSAITEHSSAAYENLRHMITQSKLVIDESLRTLLPLSYTHAYESLTMLQHFTEMEETIDYCHCRSTKGRQQIYERWNNRFRSLNPDSLQPSLLSLMLHSLVLSTGE-MADMILHFCETRQSSHPQLAEWAMSWLRHGSFSGRSSNLCSPSAASPASPGPVEGITVATLSSVDKNPKVAVGFITHLWSQGKRQAAVESMEMFLRDCGKDLEENNAT-----------CYGDAQLRLGTWKQELHADSFWERGFRDEELGHFHKAIRAVPSSYEAWHSWGLMNYRI------QQRDHNLSPEDQRTFVEAAHQGFVGAICRCKDS-----SEALPAVMRLLQLWVIHNGVELLKETVADSISRIPIDHWVQTIPQLIGHLSSDSHDIREVIGMILRSLCEVHPQATVFPLLVVMMSDASTSGSNHNALNSNGDESNIVSGASAMSDSSNPLARKQEIVQGIIQHCPKRIFHEAEAVAKLLVDVSAIPIEKIRENLSQVAAAW---NPNAEYEEDPEEVYRRLQN---TLDIFHANRRHLLFTVGDIGQFVQMVMEDDRNGQREKAAGVVSQLIEEISKHVAEKLGREPQKAMEPLLHLRNLSVAVFGEYDGHCRDHYPTIASFSSKLDVIPSKKRPRRIQLNGSDGCLYTYCLKGNEDIRMDERVMQLLGMVNVLLSHTRISSSAY--IHRFPVIPISSNVGLLGWVENANTINNTICNYRTNISNVRTHQESSVLRAYVGSFGNWDKLSLIQRTEILDFVMQSEHCEAVDVSRAMWHRANTAEQWLDRRTAFTVSLATMSMVGYVLGLGDRHLGNILISMSSGKIVHIDFGDSFDVGRLRHVLPETIPFRLTRMLTNAMEVFGVDGVFRASATRTQTTLHKNRDSIMALLSAFVHDPIVQYKGKMKNIMEKSRSPQDIAERIRNKLRGMEMAIDHSKVNIFNTTQDSCRRPDLLYMSTAFDDTAVRTQSLAMTPEEQVSFLIDEATRIDNYTTMYFGWGPLW 4JSP Chain:A ((10-1174)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ERAAKCRAYAKALHYKELEFQKGPT------------PAILESLISINNKLQQPEAAAGVLEYAMKHFGELEIQATWYEKLHEWEDALVAYDKKMDTN-----KDDPELMLGRMRCLEALGEWGQLHQQCCEKWTLVNDETQAKMARMAAAAAWGLGQWDSMEEYTCMIPRDTHDGAFYRAVLALHQDL-----------FSLAQQCIDKARDLLDAELTAMAGESYSRAYGAMVSCHMLSELEEVIQYKL--VPERREIIRQIWWERLQGCQRIVEDWQKI-LMVRSLVVSPHEDMRTWLKYASLCGKSGRLALAHKTLVLLLGVDPSRQLDH-----------PLP------------TVHPQVTYAYMKNMWKSARKIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGEWQLNLQGIN---ESTIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKHQNQARDEKKKVTEDLSKTLLMYTVPAVQGFFRSISLSRGNNLQDTLRVLTLWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTVASKST-----------------------------TTARHNAANKILKNMCEH-SNTLVQQAMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGR-DLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYDPN--QPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMA----PDYDHLTLMQKVEVFEHAVNNTAGD--DLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTNTALNKKAIQII-NRVRDKLTGR----DFSH-----------------------DDT--------LDVPTQVELLIKQATSHENLCQCYIGWCPFW

General information: TITO was launched using: RESULT: Template: 4JSP.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 : 4642 -58505 -12.60 -57.02 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -12.60 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_4JSP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JSP-query.scw PDB file : Tito_Scwrl_4JSP.pdb: