Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQMHWTAARGQLSGPQHSQHPSPQASSTHASQKQQQQQHLHQNGPPGLAAAGMGGGSAGVNISSGPAAGASAVRANVNSNAFHSPRFSHPMGPLPPAQNPQQQVFSVSQQPPGAQLQQQQRSPRSLSGPTPNNVVSGNRSGLETSAALAGREAPAISGANSAAAHTSSAAVGVFLSGTRTNFTDFGAAAAYGLGAGGVGSPSGPTANAGSILADANDEEVNQLLRELEFSVDSPHALAVLRDAVDAIEARALANFDPLSRDTFLEQRIRDVLTELSRTSNERSLLLAVSLIEALIPIAYTSPHSKYTRLCRSLSVLRQSGNEKAAREAQRVYKLLLEADARYPGPESPLKAFVQKELRENCEQALLQLHGRVQQAKAAFPAQFFSVMLGCAATAEVNPRYISGKTRAQAIQLGTMLTGSPDPLLRKAAYECLVAIFRNTSNMRPNELVLESRRLCDECMRTLNASQHNEGHVVSALKALHALLSSRGLSAIDRQVIPQLCVLVTEQHRVSKSLLVRSAVCDLVPIIAPVDIASMPRRTTYCAIIMEPVKNVRDERFKAHELHNVASFVRSVGYRVLDATNRTNLESILHRYISRPETQEACWSIMAAICASSASASGGAASVAPMGGRRVDYVSTSTTLPSPTTQNTHQDLSLTPSMVEGRKASQHSSRENLATSPSALQRHFSYHHGDDNDDQVSVPLVSVRTTSQRSAGTCSLSASPTSTNAPAFNLSTFSVHHTVTIDDVVLRCLPYLAHAILTQSLVDSLRVIQASCPQLRADVQMALDKLVDSVLKEPFAPSATAAAVTLPQYFSQLPSSTAQQQQQAHSLHSRDGGDGSAGGFSSAAMNSASRTAGSHPLSPASGPEPVMTLSRPGTCSTPIGVGAVGRLTQYFRPSESAAIHRGEGSTSSPTPTSPVGMRNTSGPLPSGNNSFLGPDSAYTVGGGDSNSGAPYGAGGPLRCSPLSTSMSAPFSPVTHMAAGGSGAGGGNAAAAPPSVLKNDLTVALKVFTERPLTSVQHLHDLKNSVIAFQRHEDPLVRQQSSETIISSLRQWIAYAKEHKTSTYSTRVTEILEAYMKNVLMEVDRQCGLYEITLLANATNLRAFLSEQRILSSLLSFLNSTALVREKTVELLVAITQDSKPSPSVVAVQQSLYVTVESCVVVLEYTNDVSMLLRSMADLQTFTRLCIRQLNNHLSRIFYAFRKRLLEVSVPDVVLLSILKTLEIILQALAKDEKTILQYQDDVLELYDPVVEILKQSPSPTLSHAAINVLVYVHEMCIPSASTDLRKQQELITALTHVYTSSTCTVNESLSMLTLFGQLGAIDPSAQSVATTAKKKEEAVIQDEADLELTYDYTVIVYRTLSRMLDASLSDAVCSQALRTLLQFIRFTQDKKDLVGGVHAVRAVLQITKRVTDSPALRVEALHVLAAVTAMRHERIVRLMLPEIVVLLEQLWTPKDRLLFRAVLEVVSALKPGKLSGKEQSESWAWLYPRLVDVALQDRTESREFCLRVVEIVLNASYIPPHCIPVVFPMLLQFLQQSDQLVDVRSQSLCAAVHIVCELKAVQFFSSLLHGICTLTRHCELNEDLGPRISTPGVRESLKVLAALHPSGRSTIKMLRDRIGEGDERMTNPTGSSIFNTMGLPATSVTSLAGGGSTSSMLVMGPATGNASGGQGGGLGVENPANSGIGPLVNIGGFGASTAGGGAAAAGGAAGGGSYLRLTNVSETFAGAEEEDVGLTLSADTAGQEVDLFMKHVELGFRLKENKLREWFAEFQKYIILISPHPAFRMMVDLLDKHEPLRRGLFLPSFKCLYESLSADQIKKLNEMLTLVLNCSDHELSSKCLGLADYLDHNEPNVKPEVLEVVRSMRRVDYHRVSHPSENGSLLLRSTESSTNNVVSLRTRSSASAGLPKAEFSTSSDAPIDVLPMAKVRGRKAPVFQRSSNSSAGVAGDESGTAGAEASSGASTALASPKNSANGRRSASRRDVEMYEFTSFDGNENGATESGRQQSQPIALPTSETPAQEEEAERRSCSPVDTLDGAESENKAEDVVAPVSTDHPSVGVLGAAGVHVMGSYRPLVNSVVRRCDSNAPQQSGVTSQFHIISTASTHSNDLSSDSRDGDLPPAGAHIPAQPNMLFSTEDIVRAAERTRMYDKALSYLENRLLAMLNLYRYTKMPREVIHKTVWPLAWLYSQREMQDSVVGLFRAIRYEGGEDQAGFGYELLCWWSKAQNTYAKSITQQAMRDMTVPPHILEGYVRTLTLCGEWSRAYDVAMQVCSRPEAYVSSTVARCGATAAWLLGRWDDVQHLAERLSMSEQHTTALRLFFLNGVALKSAITEHSSAAYENLRHMITQSKLVIDESLRTLLPLSYTHAYESLTMLQHFTEMEETIDYCHCRSTKGRQQIYERWNNRFRSLNPDSLQPSLLSLMLHSLVLSTGEMADMILHFCETRQSSHPQLAEWAMSWLRHGSFSGRSSNLCSPSAASPASPGPVEGITVATLSSVDKNPKVAVGFITHLWSQGKRQAAVESMEMFLRDCGKDLEENNATCYGDAQLRLGTWKQELHADSFWERGFRDEELGHFHKAIRAVPSSYEAWHSWGLMNYRIQQRDHNLSPEDQRTFVEAAHQGFVGAICRCKDSSEALPAVMRLLQLWVIHNGVELLKETVADSISRIPIDHWVQTIPQLIGHLSSDSHDIREVIGMILRSLCEVHPQATVFPLLVVMMSDASTSGSNHNALNSNGDESNIVSGASAMSDSSNPLARKQEIVQGIIQHCPKRIFHEAEAVAKLLVDVSAIPIEKIRENLSQVAAAW----NPNAEYE--EDPEEVYRRLQNTLDIFHANR---RHLLFTVGDIGQFVQMVMEDDRNGQREKAAGVVSQLIEEISKHVAEKLGREPQKAMEPLLHLRNLSVAVFGEYDGHCRDHYPTIASFSSKLDVIPSKKRPRRIQLNGSDGCLYTYCLKGNEDIRMDERVMQLLGMVNVLLSH--TRISSSAYIHRFPVIPISSNVGLLGWVENANTINNTICNYRTNISNVRTHQESSVLRAYVGSFGNWDKLSLIQRTEILDFVMQSEHCEAVDVSRAMWHRANTAEQWLDRRTAFTVSLATMSMVGYVLGLGDRHLGNILISMSSGKIVHIDFGDSFDVGRLRHVLPETIPFRLTRMLTNAMEVFGVDGVFRASATRTQTTLHKNRDSIMALLSAFVHDPIVQYKGKMKNIMEKSRSPQDIAERIRNKLRGMEMAIDHSKVNIFNTTQDSCRRPDLLYMSTAFDDTAVRTQSLAMTPEEQVSFLIDEATRIDNYTTMYFGWGPLW 5H64 Chain:A ((1884-2549)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AVQGFFRSISLSRGNN--LQDTLRVLTLWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTV---ASKSTTTARHNAAN--------------------------KILKNMCEHS-NTLVQQAMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGRDLM----EAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYDPN--QPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMA----PDYDHLTLMQKVEVFEHAVNNTAGD--DLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTNT-----------------------ALNKKAIQIINRVRDKLTGRDF-----SHDDT--------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 : 2951 -95827 -32.47 -159.71 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -32.47 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.376

(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: