Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRNNDNIRILTNPSVSHGEPLHISEKQPATIPEVLYRTATELGDTKGIIYLQPDGTEVYQSYRRLWDDGLRIAKGLRQSGLKAKQSVILQLGDNSQLLPAFWGCVLTGVVPAPLAVPPTYAESSSGTQKLKDAWTLLDKPAVITDRGMHQEMLDWAKEQGLEGFRAIIVEDLLSAEADTDWHQSSPEDLALLLLTSGSTGTPKAVMLNHRNIMSMVKGIIQMQGFTREDITFNWMPFDHVGGIGMLHLRDVYLGCQEINVSSETILMEPLKWLDWIDHYRASVTWAPNFAFGLVTDFAEEIKDKKWDLSSMRYMLNGGEAMVAKVGRRILELLEPHGLPADAIRPAWGMSETSSGVIFSHEFTRAGTSDDDHFVEIGSPIPGFSMRIVNDHNELVEEGEIGRFQVSGLSVTSGYYQRPDLNESVFTEDGWFETGDLGFLRNGRLTITGRTKDAIIINGINYYSHAIESAVEELPEIETSYTAACAVRLGQNSTDQLAIFFVTSAKLNDEQMSQLLRNIQSHVSQVIGVTPEYLLPVQKEEIPKTAIGKIQRTQLKTSFENGEFDHLLHKPNRMNDAVQDEGIQQADQVKRVREEIQKHLLTCLTEELHVSHDWVEPNANIQSLGVNSIKMMKLIRSIEKNYHIKLTAREIHQYPTIERLASYLSEHEDLSSLSADKKGTDTYKTEPERSQATFQPLSEVQKGLWTLQKMSPEKSAYHVPLCFKFSSGLHHETFQQAFGLVLNQHPILKHVIQEKDGVPFLKNEPALSIEIKTENISSLKESDIPAFLRKKVKEPYVKENSPLVRVMSFSRSEQEHFLLVVIHHLIFDGVSSVTFIRSLFDTYQLLLKGQQPEKAVSPAIYHDFAAWEKNMLAGKDGVKHRTYWQKQLSGTLPNLQLPNVSASSVDSQFREDTYTRRLSSGFMNQVRTFAKEHSVNVTTVFLSCYMMLLGRYTGQKEQIVGMPAMVRPEERFDDAIGHFLNMLPIRSELNPADTFSSFISKLQLTILDGLDHAAYPFPKMVRDLNIPRSQAGSPVFQTAFFYQNFLQSGSYQSLLSRYADFFSVDFVEYIHQEGEYELVFELWETEEKMELNIKYNTGLFDAASISAMFDHFVYVTEQAMLNPSQPLKEYSLLPEAEKQMILKTWNATGKTYPY--ITFHELFEQQAKKTPDRAAVSY-EGQTLTYRELDEKSTQLAIYLQAHGVGPDRLAGIYVDRSLDMLVGLLAILKAGGAYVPLDPSYPAERLEYMLEDSEVFITLTTSELVNTLSWNGVTTALL---------DQDWDEIAQTASDRKVLTRTVTP------ENLAYVIYTSGSTGKPKGVMIPHKALTNFLVSMGETP---GLTAEDKMLAVTTYCFDIAALELFLPLIKGAHCYICQTEHTKDVEKLKRDIRAIKPTVMQATPATWKMLF-YSGWENEESVKILCGGEALPETLKRYFLDT-GSEAWNMFGPTETTIWSAVQRINVE--CSHATIGRPIANTQIYITDSQ-LAPVPAGVPGELCIAGDGVAKGYYKKEELTDSRFIDNPFEPGSKLYRTGDMARWLTGGRIEYIGRIDNQVKIRGFRIELGDIESRLSEHPGILECVVVADMD-----NLAAYYTAKHANASLTARELRHFVKNALPAYMVPSYFIQLDHMPLTPNGKIDRNSLKNIDLSGEQLKQRQTSPKNIQDTVFTIWQEVLKTSDIEWDDGFFDVGGDSLLAVTVADRIKHELSCEFSVTDLFEYSTIKNISQYITEQRMGDASDHIPTDPAAHIEDQSTEMSDLPDYYDDSVAIIGISCEFPGAKNHDEFWENLRDGKESIAFFNKEELQRFGISKEIAENADYVPAKASIDGKDRFDPSFFQISPKDAEFMDPQLRMLLTHSWKAIEDAGYAARQIPQTSVFMSASNNSYRALLPSDTTESLETPDGYVSWVLAQSGTIPTMISHKLGLRGPSYFVHANCSSSLIGLHSAYKSLLSGESDYALVGGATLHTESNIGYVHQPGLNFSSDGHIKAFDASADGMIGGEGVAVVLLKKAADAVKDGDHIYALLRGIGVNNDGADKVGFYAPSVKGQADVVQQVMNQTKVQPESICYVEAHGTGTKLGDPIELAALTNVYRQYTNKTQFCGIGSVKTNIGHLDTAAGLAGCIKVVMSLYHQELAPSVNYKEPNPNTDLASSPFYVVDQKKTLSREIKTHRAALSSFGLGGTNTHAIFEQFKRDSDKGKIDGTCIVPISAKNKERLQEYAEDILAYLERRGFENSQLPDFAYTLQVGREAMEHRVVFIADHVNELKQRLTDFINGNTAIEGCFQGSKHNAREVSWLTEDEDSAELIRKWMAKGKVNKLAEMWSKGAHIDWMQLYKGERPNRMSLPTYPFAKERYWPSQDDRKPVAQISGNQTGIGSIHPLLHQNTSDFSEQKFSSVFTGDEFFLRDHVVRGKPVLPGVAYLEMAYAAINQAAGSEIGQDVRIRLNHTVWVQPVVVDRHSAQVDISLFPEEDGKITFDIYSTQEDGDDPVIHSQGSAELASAAETPVADLTEMSRRCGKGKMSPDQFYEEGRSRGMFHGPAFQGIKNVNIGNREVLAQLQLPEIVSGTNEQFVLHPSIMDSALQTATICIMQELTDQKLILPFALEELEVIKGCSSSMWAYARLSDSDHSGGVVQKADIDVIDESGTVCVRIKGFSTRVLEGEVHTSKPSTRHERLMLEPVWEKQNEEREDEDLSYTEHIIVLFETERSVTDSIASHMKDARVITLNEAVGHIAERYQCYMQNIFELLQSKVRKLSAGRIIIQAIVPLEKEKQLFAGVSGLFKTAEIEFSKLTAQVIEIEKPEEMIDLHLKLKDDSRRPFDKQIRYEAGYRFVKGWREMVLPSADTLHMPWRDEGVYLITGGAGSLGLLFAKEIANRTGRSTIVLTGRSVLSEDKENELEALRSIGAEVVYREADVSDQHAVRHLLEEIKERYGTLNGIIHGAGSSKDRFIIHKTNEEFQEVLQPKVSGLLHVDECSKDFPLDFFIFFSSVSGCLGNAGQADYAAANSFMDAFAEYRRSLAASKKRFGSTISFNWPLWEEGGMQVGAEDEKRMLKTTGMVPMPTDSGLKAFYQGIVSDKPQVFVMEGQLQKMKQKLLSAGSKAKRNDQRKADQDQGQTRKLEAALIQMVGAILKVNTDDIDVNTELSEYGFDSVTFTVFTNKINEKFQLELTPTIFFEYGSVQSLAEYVVAAYQGEWNQDATAKGKDERTNLVHSLSSLEASLSNMVSAILKVNSEDIDVNTELSEYGFDSVTFTVFTNKINEEFQLELTPTIFFEYGSLHSLAEYLTVEHGDTLVQEREKPEGQEELQTKSSEAPKITSRRKRRFTQPIIAKAERNKKQAADFEPVAIVGISGRFPGAMDIDEFWKNLEEGKDSITEVPKDRWDWREHYGNPDTDVNKTDIKWGGFIDGVAEFDPLFFGISPREADYVDPQQRLLMTYVWKALEDAGCSPQSLSGTGTGIFIGTGNTGYKDLFHRANLPIEGHAATGHMIPSVGPNRMSYFLNIHGPSEPVETACSSSLVAIHRAVTAMQNGDCEMAIAGGVNTILTEEAHISYSKAGMLSTDGRCKTFSADANGYVRGEGVGMVMLKKLEDAERDGNHIYGVIRGTAENHGGRANTLTSPNPKAQADLLVRAYRQADIDPSTVTYIEAHGTGTELGDPIEINGLKAAFKELSNMRGESQPDVPDHRCGIGSVKSNIGHLELAAGISGLIKVLLQMKHKTLVKSLHCETLNPYLQLTDSPFYIVQEKQEWKSVTDRDGNELPRRAGISSFGIGGVNAHIVIEEYMPKANSEHTATEQPNVIVLSAKNKSRLIDRASQLLEVIRNKKYTDQDLHRIAYTLQVGREEMDERLACVAGTMQELEEKLQAFVDGKEETDEFFRGQSHRNKETQTIFTADEDMALALDAWIRKRKYAKLADLWVKGVSIQWNTLYGETKPRLISLPSYPFAKDHYWVPAKEHSERDKKELVNAIEDRAACFLTKQWSLSPIGSAVPGTRTVAILCCQETADLAAEVSSYFPNHLLIDVSRIENDQSDIDWKEFDGLVDVIGCGWDDEGRLDWIEWVQRLVEFGHKEGLRLLCVTKGLESFQNTSVRMAGASRAGLYRMLQCEYSHLISRHMDAEEVTDHRRLAKLIADEFYSDSYDAEVCYRDGLRYQAFLKAHPETGKATEQSAVFPKDHVLLITGGTRGIGLLCARHFAECYGVKKLVLTGREQLPPREEWARFKTSNTSLAEKIQAVRELEAKGVQVEMLSLTLSDDAQVEQTLQHIKRTLGPIGGVIHCAGLTDMDTLAFIRKTSDDIQRVLEPKVSGLTTLYRHVCNEPLQFFVLFSSVSAIIPELSAGQADYAMANSYMDYFAEAHQKHAPIISVQWPNWKETGMGEVTNQAYRDSGLLSITNSEGLRFLDQIVSKKFGPVVLPAMANQTNWEPELLMKRRKPHEGGLQEAALQSPPARDIEEADEVSKCDGLLSETQSWLIDLFTEELRIDREDFEIDGLFQDYGVDSIILAQVLQRINRKLEAALDPSILYEYPTIQRFADWLIGSYSERLSALFGGRISDASAPLENKIEAEASVPGKDRALTPQIQAPAILSPDSHAEGIAVVGLSCRFPGAETLESYWSLLSEGRSSIGPIPAERWGCKTPYYAGVIDGVSYFDPDFFLLHEEDVRAMDPQALLVLEECLKLLYHAGYTPEEIKGKPVGVYIGGRSQHKPDEDSLDHAKNPIVTVGQNYLAANLSQFFDVRGPSVVVDTACSSALVGMNMAIQALRGGDIQSAIVGGVSLLSSDASHRLFDRRGILSKHSSFHVFDERADGVVLGEGVGMVMLKTVKQALEDGDIIYAVVKAASVNNDGRTAGPATPNLEAQKEVMKDALFKSGKKPEDISYLEANGSGSIVTDLLELKAIQSVYRSGHSSPLSLGSIKPNIGHPLCAEGIASFIKVVLMLKERRFVPFLSGEKEMAHFDQQKANITFSRALEKWTDSQPTAAINCFADGGTNAHVIVEAWEKDEKHAIKRSPISPPQLKKRMLSPGEPKLEAETSKMTAANIWDTYEVEV 1AMU Chain:A ((17-530)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GTHEEEQYLFAVNNTKAEYP-RDKTIHQLFEEQVSKRPNNVAIVCE-NEQLTYHELNVKANQLARIFIEKGIGKDTLVGIMMEKSIDLFIGILAVLKAGGAYVPIDIEYPKERIQYILDDSQARMLLTQKHLVHLIHNI--QFN--GQVEIFEED------TIKIR-----EGTNLH-VPSKST-DLAYVIYT-----SPKGTMLEHKGISNLKVFFEN--SLN-VTEKDRIGQFASISFDASVWEMFMALLTGASLYIILKDTINDFVKFEQYINQKEITVITLPPTYVVHL-DPERI--LSIQTLITAGSATSPSLVNKWKEKV--TYINAYGPTETTICATTWVATKETIGHSVPIGAPIQNTQIYIVDE-NLQLKSVGEAGELCIGGEGLARGYWKRPELTSQKFVDNPFVPGEKLYKTGDQARWLSDGNIEYLGRIDNQVKIRGHRVELEEVESILLKHMYISETAVSVHKDHQEQPYLCAYFVSE---KHIPLEQLRQFSSEELPTYMIPSYFIQLDKMPLTSNGKIDRKQLPEPDLTF-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------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General information: TITO was launched using: RESULT: Template: 1AMU.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 : 2716 -309731 -114.04 -647.97 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -114.04 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_1AMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AMU-query.scw PDB file : Tito_Scwrl_1AMU.pdb: