Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQMHWTAARGQLSGPQHSQHPSPQASSTHASQKQQQQQHLHQNGPPGLAAAGMGGGSAGVNISSGPAAGASAVRANVNSNAFHSPRFSHPMGPLPPAQNPQQQVFSVSQQPPGAQLQQQQRSPRSLSGPTPNNVVSGNRSGLETSAALAGREAPAISGANSAAAHTSSAAVGVFLSGTRTNFTDFGAAAAYGLGAGGVGSPSGPTANAGSILADANDEEVNQLLRELEFSVDSPHALAVLRDAVDAIEARALANFDPLSRDTFLEQRIRDVLTELSRTSNERSLLLAVSLIEALIPIAYTSPHSKYTRLCRSLSVLRQSGNEKAAREAQRVYKLLLEADARYPGPESPLKAFVQKELRENCEQALLQLHGRVQQAKAAFPAQFFSVMLGCAATAEVNPRYISGKTRAQAIQLGTMLTGSPDPLLRKAAYECLVAIFRNTSNMRPNELVLESRRLCDECMRTLNASQHNEGHVVSALKALHALLSSRGLSAIDRQVIPQLCVLVTEQHRVSKSLLVRSAVCDLVPIIAPVDIASMPRRTTYCAIIMEPVKNVRDERFKAHELHNVASFVRSVGYRVLDATNRTNLESILHRYISRPETQEACWSIMAAICASSASASGGAASVAPMGGRRVDYVSTSTTLPSPTTQNTHQDLSLTPSMVEGRKASQHSSRENLATSPSALQRHFSYHHGDDNDDQVSVPLVSVRTTSQRSAGTCSLSASPTSTNAPAFNLSTFSVHHTVTIDDVVLRCLPYLAHAILTQSLVDSLRVIQASCPQLRADVQMALDKLVDSVLKEPFAPSATAAAVTLPQYFSQLPSSTAQQQQQAHSLHSRDGGDGSAGGFSSAAMNSASRTAGSHPLSPASGPEPVMTLSRPGTCSTPIGVGAVGRLTQYFRPSESAAIHRGEGSTSSPTPTSPVGMRNTSGPLPSGNNSFLGPDSAYTVGGGDSNSGAPYGAGGPLRCSPLSTSMSAPFSPVTHMAAGGSGAGGGNAAAAPPSVLKNDLTVALKVFTERPLTSVQHLHDLKNSVIAFQRHEDPLVRQQSSETIISSLRQWIAYAKEHKTSTYSTRVTEILEAYMKNVLMEVDRQCGLYEITLLANATNLRAFLSEQRILSSLLSFLNSTALVREKTVELLVAITQDSKPSPSVVAVQQSLYVTVESCVVVLEYTNDVSMLLRSMADLQTFTRLCIRQLNNHLSRIFYAFRKRLLEVSVPDVVLLSILKTLEIILQALAKDEKTILQYQDDVLELYDPVVEILKQSPSPTLSHAAINVLVYVHEMCIPSASTDLRKQQELITALTHVYTSSTCTVNESLSMLTLFGQLGAIDPSAQSVATTAKKKEEAVIQDEADLELTYDYTVIVYRTLSRMLDASLSDAVCSQALRTLLQFIRFTQDKKDLVGGVHAVRAVLQITKRVTDSPALRVEALHVLAAVTAMRHERIVRLMLPEIVVLLEQLWTPKDRLLFRAVLEVVSALKPGKLSGKEQSESWAWLYPRLVDVALQDRTESREFCLRVVEIVLNASYIPPHCIPVVFPMLLQFLQQSDQLVDVRSQSLCAAVHIVCELKAVQFFSSLLHGICTLTRHCELNEDLGPRISTPGVRESLKVLAALHPSGRSTIKMLRDRIGEGDERMTNPTGSSIFNTMGLPATSVTSLAGGGSTSSMLVMGPATGNASGGQGGGLGVENPANSGIGPLVNIGGFGASTAGGGAAAAGGAAGGGSYLRLTNVSETFAGAEEEDVGLTLSADTAGQEVDLFMKHVELGFRLKENKLREWFAEFQKYIILISPHPAFRMMVDLLDKHEPLRRGLFLPSFKCLYESLSADQIKKLNEMLTLVLNCSDHELSSKCLGLADYLDHNEPNVKPEVLEVVRSMRRVDYHRVSHPSENGSLLLRSTESSTNNVVSLRTRSSASAGLPKAEFSTSSDAPIDVLPMAKVRGRKAPVFQRSSNSSAGVAGDESGTAGAEASSGASTALASPKNSANGRRSASRRDVEMYEFTSFDGNENGATESGRQQSQPIALPTSETPAQEEEAERRSCSPVDTLDGAESENKAEDVVAPVSTDHPSVGVLGAAGVHVMGSYRPLVNSVVRRCDSNAPQQSGVTSQFHIISTASTHSNDLSSDSRDGDLPPAGAHIPAQPNMLFSTEDIVRAAERTRMYDKALSYLENRLLAMLNLYRYTKMPREVIHKTVWPLAWLYSQREMQDSVVGLFRAIRYEGGEDQAGFGYELLCWWSKAQNTYAKSITQQAMRDMTVPPHILEGYVRTLTLCGEWSRAYDVAMQVCSRPEAYVSSTVARCGATAAWLLGRWDDVQHLAERLSMSEQHTTALRLFFLNGVALKSAITEHSSAAYENLRHMITQSKLVIDESLRTLLPLSYTHAYESLTMLQHFTEMEETIDYCHCRSTKGRQQIYERWNNRFRSLNPDSLQPSLLSLMLHSLVLSTGEMADMILHFCETRQSSHPQLAEWAMSWLRHGSFSGRSSNLCSPSAASPASPGPVEGITVATLSSVDKNPKVAVGFITHLWSQGKRQAAVESMEMFLRDCGKDLEENNATCYGDAQLRLGTWKQELHADSFWERGFRDEELGHFHKAIRAVPSSYEAWHSWGLMNYRIQQRDHNLSPEDQRTFVEAAHQGFVGAICRCKDSSEALPAVMRLLQLWVIHNGVELLKETVADSISRIPIDHWVQTIPQLIGHLSSDSHDIREVIGMILRSLCEVHPQATVFPLLVVMMSDASTSGSNHNALNSNGDESNIVSGASAMSDSSNPLARK-----QEIVQ-GIIQHCPKRIFHEA-EAVAKLLVDVSAIP-IEKIRENLSQVAAAWNPNAEYEEDPEEVYRRLQNTLDIFHANRRHLLFTVGDIGQFVQMVMEDDRNGQREKAAGVVSQLIEEISKHVAEKLGREPQKAMEPLLHLRNLSVAVFGEYDGHCRDHYPTIASFSSKLDVIPSKKRPRRIQLNGSDGCLYTYCLKGNEDIRMDERVMQLLGMVNVLLSH--TRISSSAYIHRFPVIPISSNVGLLGWVENANTINNTICNYRTNISNVRTHQESSVLRAYVGSFGNWDKLSLIQRTEILDFVMQSEHCEAVDVSRAMWHRANTAEQWLDRRTAFTVSLATMSMVGYVLGLGDRHLGNILISMSSGKIVHIDFGDSFDVGRLRHVLPETIPFRLTRMLTNAMEVFGVDGVFRASATRTQTTLHKNRDSIMALLSAFVHDPIVQYKGKMKNIMEKSRSPQDIAERIRNKLRGMEMAIDHSKVNIFNTTQDSCRRPDLLYMSTAFDDTAVRTQSLAMTPEEQVSFLIDEATRIDNYTTMYFGWGPLW 4JT6 Chain:B ((509-1174)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AVQGFFRSISLSRGNN--LQDTLRVLTLWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTV---ASKSTTTARHNAAN------KILKN---MCEHSNTLVQQAMMVSEELIRVAILWH---EMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMER-GPQTLKETSFNQAYGR-----DLMEAQ------------EWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYDPN--QPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMA----PDYDHLTLMQKVEVFEHAVNNTAGD--DLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTNT-----------------------ALNKKAIQIINRVRDKLTGRDF-----SHDDT--------LDVPTQVELLIKQATSHENLCQCYIGWCPFW

General information: TITO was launched using: RESULT: Template: 4JT6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2817 -87694 -31.13 -145.91 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : -31.13 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.368

(partial model without unconserved sides chains): PDB file : Tito_4JT6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JT6-query.scw PDB file : Tito_Scwrl_4JT6.pdb: