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 4JSV 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: 4JSV.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 : 2821 -92364 -32.74 -153.68 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : -32.74 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.375

(partial model without unconserved sides chains): PDB file : Tito_4JSV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JSV-query.scw PDB file : Tito_Scwrl_4JSV.pdb: