Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDFSSSSSDSSSDDGIFTRRVEFQQRQRGASSSSSVPALGSSATRDVVAIISESAPPCTVDAVEAPATAGATTSRARSQPPDVAPVVLSERVTTQTSLQSASTGSEDKSSPGGSPVQRRRRRVAGTRPPAIKGALGSPTEPKQQRGRRSSVSDPGSPLELPPPSRSSSRQRRTSVHSMSTADLAAATLVRASSNTLSTSTNKRTGGRGGGGVRRRYPRGAATTSLRALSPVSVSPTASAVNARLLSDEAYLDMFHIPALIAQLSLSLMAAKPIDPRAFTRDWLADRLVSEEDEDDDNADDGGGSTNSGSGAREQGSQVPPSDTAVLTRSTELPSSTSFVFQASGSTMGDFASDSGAARPCLTEVSYRQGRSGQHSRQRRRTNTSGEDEADDVAKTPLEADSDGDKTGTVIDRPASVGHASRKRRAFERRAQRKDRQSVATPSESRQRGVCGISNGAESRRNEMSASSRNNTSDDAYSRSPRCGSLLTTLAPPPAEACEHREPRAAECEASSPMQRSEEAERNATAAAPSSLPPTPKTSSSSSPSSSSSSFTAFRSPGSDGVEWARVELQSRRTTVAGSSASADVDIPSSHRRMTMESESSTSTEGLSAPHGTTHGEHEVRQSSSSSRAAETAVNDVPALVTVERKGIHKSCSSSSSSSAGDGAHGLAALAHDRVGHTSGRAIELSTAASSMIRPEASVAKRGAAKEEFSRSDNEAEEGGEAERHSNYVAADIAEPAHSTTRGSEKDAADAAAAAAESHGRDGDDDFSFAMFVPILAVDATTNEVIDYREAGVSPPSAPAFSPTSGGACALPSYPTVSASGVGGGHLAQTHTSTAVTQSSGFPPYATRPVSSTFNVLPTPMLADLVGGGGLTNTSFGRRGVPNTSFGRRPAPMAGAAGRYVDPAAGAMTGSSSPPAPFITPHAPMDLPALGVSDGVVDGESLENLQLLGFPKLNSNLAAVSVGSVTGVRTSGSVVVAGEAASVRERKAVQDDDVADSNRAAPSAFCQSAVLHGATDGARNTNLSLTKDTLGPVVALSTASSPVSSTMKLESARRLGKLLDQLPAAKYAAAIVFLEGLLSSSGGSSDAAATPESESISMMTNIGDASNRNRGLLNLTSTAADTTLGSVGLSGDGSSPLVGSITPGRPWSGTFGPGRSPTGRARSFAHLVAGGSSQAPALAASGRNEDGAGALAMVSRAPEGGHSRSRSKGGSTSVEALVRDALSQSVLRSLPPTHEEVPGSVPSLPLRLEVSGRGAGEGTSMGMHRVPSPTRLENTHGERFASTATSTARANTSRGSSPVPVVPGGGSDDVTLQHPPSQSERSNLSFYKQPSSTDMSNLRRRSSSPSPGGYALTAAALQQQQQSQQQPVTRKATEDRLGSAVATMLPQSLSGPPPLSPAGNSSLATTGISVSEQKLMGVAVPTQPGASCVADHDEATTPEHSTARTATAADARGADSGNEDHQGAAFGGSDSCDLGSYAAQQRQNQALQHHHGIVSSSDQSLAAHATDQNTVDRFATTGAAAEAAEPSATVAPKALEGTQRRCSNGNGGSLLLLEQRGARGDGDESTLPPECGTHEQFMPLDAAANPISLHTHSAESVSSLSSGTAPITNSGADGGGGRRAGNAPGYWPGTFGNSQVSGSAAAEAPQERPQSGRELCSSAAKSSSASAGGSSGVVGWGGTVSDSPSPPLHAHHPHSAGRELEFEDVNLGATLRMAVALAAAAGTQSARTVYGSHSSSKDSMNGPAIKSSTPNQSAGVAVVSGANVVTADPFASADANEGLSSLATADETYVNDLFVTHSSQSPPTLHGNNHKPLLRMVDGSGAGEDCVSLPSSQTVSLLNTCSSSVAEGGDVSAATASILPPAIPPVAVSADGTVLATPITAAMTPIILEPSTQSPPRSELPMVTSSVVVAMNSFFSREDHVAPEELEVVREVVAHYDAFASLDETQLETLVRTMGRMELQRGATVVREGDSTLGQLLLIVSGKLTISRKGLVTRTLARGQFYGEMEMSYHVERSRVTLTAATPTVVLYALKKVDYQKLVIHEKDARRYMFLQYVNECVLFKGLSPYIKMRLADSFRVCRLRKGTKLTEQGASVEWMYLLMSGNVRMTYQAPPSTGGETSDWPLPWRGAAPEEEARHTVTTSHSFSNFAGSTTLSEAHMSSAASAAAASTAAGTSTTRCGTAPSGITGSLSSSLTPLTVASQLPSSALLLSQAAMASLNAGAQQQDMLAERAASSAEACKESPLISMVSPSPGANAATSRMPQLLHLPNAKAAHANSRGKSGDHLAEQGADDGPPRPNSSRPRSRRLQSQQDRSVSGWQGLSQPSASAAESLDTDNTKPPSPLSTSASVRQSANTLLDTTPHSNAASTVTTSLTNTAAALAGAAGVHKTVVVVDRSKGQLVGETEFVFKCKGLFTAVATTPVQAARISRLHFEAIMTRAVVEEMKRSMLLNPDYYFFEFTVPEALKEDMRRMLFRLNVGPAARRRTRHAQQHQRLRHSVTGVEGTVSGSRSRGGTAGGNRDSEAGRRHCRQSMVLSRRTQREHNRASFMDNITGGPGGSSNGPNGTTGSSGSNSHSTSPPLVAVCVQDGGRERNDGSTSQVGSKRHHAGHRRFRTAPLEISPTMARLSTERATADSVDAAGMESSALHYLAAPTVCGGPFASPAVASTAVVSSTSAGEDSVSFTPAPAATMGSMGNVKGRGSSSDGDHNRYSRATARLTTAGRRTSFTKHSSTTTSIRRRVSTRGEIVFSGSRNLYRFTAEAMSMNESIVIAVVVDGTIIRWNSVAQSVTGYAPFEAIGKSVFDFIVSEDGRQHMRDTLAVAARFAGRWEQYNMRGLQEQRVFPFRQNAGLYQVGLALSVIPSNYAKTAEVLLLIGREGKYRAASTYAADVAKWLEGSLKPQLRQFQRRMVQIESHGWQLTAEDALQVRGNLDACMSMVEQFTKFSLLNMDVVSQSWRPVRVSALLRRFAVEAMAFARQQQHEYYCNIDLVEPKAEVFLDSPQVLAILRLLLGDALQCPNMGDDGNAIVVHAELRVTVVEPQDTNQVPLSIGSPVGRVSGGGSSAGGFAGLFAPPNMSSIAPPENHSSSSSAAAAHGLRNVVASPSGSAKPSYPVIHTPVSAVQSSSEAAPLIPSGVSLPHRPLPRGHSPPLHAQKSYQHHGSDTVLPNHSHDSPLVALVSEKAPGSGGNAQGGADGSPNSAAVWPTPGSTTSSGAGMRGLPSAPISNALTSTLRRIRFELRDDGPTIPSLRGHEAVASERTHDHASPESASVDDSAALNSTSPKSASCTSERVAGDGAGDGGGLSAGLEASRSFTFAAASARRGAELEQVEKILANLGGVVYGFTRPEVPGNVVRVELPLLVVPGSTDDGRDEENGGGGGGGGTAAPPSSATRTFTVIVADSNRLHQQQLCRVLWARQHAVVPVTSFRDLGRKLEMNTADILLIDPLHIDIASEDYESLLGDDPFDDIRVLSARLALVVMASDFSDWRVQKLLNRHAVVELPKVGSGALVHIAMQEAEQLVTEMRDEEERLDLIRRTFT-NSSTERHKIGKRIGKGAFGDVFEVEDTLTGGKMAMKRMRLHDGLLADEVVQEILAMTTLTHENIIQYFYCEKESDTLLRLYMELAPGGTLRDKIRETPGVPLPFEEIVHHLSCIC----HGLAYVHEKSYVHGDLKTANLLLGTRNRTKIGDFGTAKHLAPHQLLYT-MVGTPQYMAPEVLTADVEQRLGYDFKADIWSLGCIVLEMATGSPPFAHMECAQGMGIIKYLTELTDTPDLSPLFSGNPLVYEFVKSCLDVDPQNRPTAQELLHFDILEGAVASQRAERLVRRAEMLYKLNKYAAMRADGGGGGTGRNTSGSGGGRGGAARGGGHDGSEDSEEAEGDDGNHSSLYDSGVLFSSSDSTAYEEEYDDEDDYDENDELSEHDSAEDVMENDSVPREKRDRQHSPPTSSSPAFMPEGAK 1YHV Chain:A ((250-524)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIRQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELW-VVMEYLAGGSLTDVVTET-----CMDE--GQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLTDFGFCAQITPEQSKRSEMVGTPYWMAPEVVT-----RKAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRAL----YLIATNGTPELQNPEKLSAIFRDFLNRCLDMDVEKRGSAKELLQHQFLKIA------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1YHV.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 : 1296 -25879 -19.97 -96.20 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -19.97 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_1YHV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YHV-query.scw PDB file : Tito_Scwrl_1YHV.pdb: