Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMNDLPRWPRYRPIRVIGQGGFGTVYLCVDTEPTSTMYEQEVAVKAVSLGALS------DEEVLMVMSEVSLLKNV-GHPNIITYYDSFLYDDDESALSRKGGATLVPQADGDDIAAAGAGFRSQWLCLVTEYMDGGDLAALLRQYSGQELNSTKDVCEATSLSTVGTAAAARKRGRPSAAVTEDAAAGADQGEVSEGDWVSRSRLHRQRLATTLRAVPRPPMSTFPTTVTKATVMRWDGLDASVDQTWMSDASAAAMPTTPLGATDAEAADGAACGSRNGIQMPTAAASNAAVGSAATGAPHLTNVSVKNTVAAAGLASEPLEPQLPPPPNQLWVESFLITDIAKQCLDALAYLHALCIVHRDIKPSNIYLSKRDGTVKIGDFGVSKLLQPAEPFTMTFVGTPFYLCPELCM------GDPYSFGADIWALGVVLYELYCLKLPFTSDNVLAQIYVITEGVYDTAALGTPHAFAESQQAVLETLYGPSFLHSERLLHSLVVSMVDKMLQVDPAERPSAEELLTGVFGAGSTSRCGSSAGLPLAPVAPTPVHRPLSTCALAHDSVSTPPQRGPSSFAVKPEGVAATTPQAPSNRLGPSASEQHARWAGSLVAAASSTLQQEQGASRVSLTAPGSRRSRERRDDVVDDFTGAHAPLAVRVKTSVGDILQGMPSAQRERLGNRAAAEERDEKEEVSRAMLPVASPKPTPSSALFHSTVKAGVGSDSANRQAALSPSLAGRERAEVAALPEKRRGSTVGAEPPSLELAEHTALQLLPAAPFPLELLYGGLVNIGDSAVNSTGATGEQRTVDDKASVSTPLGAQATQQASPLSSMLPADRPPAVRTHCDDDDALDHPIGAQTRSEFMALMENIPWLKNAEVFSSIPLSAGCDNVMLVERANRSSVSASGADGALSSATDNTAAGGSEERAEGAAPASKGSRTAPHQRQSQLPSPLRSPHSPATGTEDMQMSSNPLLPVCRAGVVSPTAPRIEVKTISGTTITMGGSRRPPSSRSPFQRGSAGAAEMADAESTQSVSQRRVSGGLTAASRQPPCIPAAPLRQRVSVTALPTTVLTSTPKPPASRPDEPQMTQDASGPACPSPSLQPRGDADRQPTAVTVASKGASASHPRLFSSSGLEPTVGNAASEARLRPFSAAQMRATAIASASGAAPPTPKAHSPGHCEGYSTTELEALLQAKLLTHYQRRQRQLGAQRTQHAAQEAAKAAARAKLKALYDEVFVSRLDPASSDAAYTAPYHSGGTIDGPSEVPDEFVARTDKRSRAASDSGDSGAHFPGDDAVAAPVARAATQLPALEADAWAKGAPVAVHLTKEAASPSPPSAPSPPSAPSPPSAPSPPSAPSSHGSPLPFSVDATARQAETEESVLRALSAVYSRPVEIPATTVPGTGTLMDDGDYGKDWLAATPAVRRIREAASLAVAVEHQCAAFRRGKEPARLCVAPPWRPPHDSRDVPGLWETSSAEEEADVSARGRLGCPAPASVREEVRWRWSAPPSDLDDTAGTTSEDEERGALLSSTASSSAVPSISTSPSSSSSALLASTSGANMLDAPGQTSKTPSITAAPEADVQQRLQSRKLVPSGGELGGGVIGSRRSPADAHAGGPRPSSLLGSPMYLELDSVDGGIRGGHTRDDGIHGVSLSMSSLADASAKATAAAGHEKDETDSASASSSSTTSTISSTSSASHSSASHSSRALSHPHRSKDEARHDVSSSSHDDGSSAQNSSSGSSSDDAPSSASQTASFSFHSFGGAASSTDANDDDAEPCAATKRADSDGDEDMSYTYTVQLDAVTGRRHFEYVCPVTVEVVGALPGGCRVVSAVAALRALDFAKAAPLSAMQVPPSEHCSMKQGSDGLAARVLTAEAPTDLSATPSPHEGGDDTAAANGGISSCPGQDKTFLFDGEYHTMWQEDGGFGAAAASPPTPSAPAPSSSLSSLPPDAGATVGFTAVPGKQQGHVPAANGMAPPEGSQSAREATLHSALPSTTNWQPDATARVAAASSSCVEDGNNDGNGATAHLRGRAASLHLSGETLARVAAPLRPSHVALGALSEETMAKAHAPLTHPSLADSDPTKVNTEMLPASKSASSNADGNQAMGFLCDRACTQGQTAVTPAQEIAAVMETTWWMRVPSSPSASSQGLGTSQQQHQLTGSPQYIHLPLSLALRPLRQRTRFVGLLWRLWVSLKVSEPALSRVLLHRRGGAPSPSPGCTFAEAFGDWVTGTTPARDTDTGECTEVDVSQQSSSETSTSLRLGRTITTTATTEASSNSDTAADSQVLPASGSLTAPSRPSPLKWGLYYVEARTWCAVQLRTDADWAVVRRKISEMGTMLPFVRLYLLLEEAEPASE 2Y7J Chain:D ((93-364)) -------YQKYDPKDVIGRGVSSVVRRCVHRATGH-----EFAVKIMEV---RLSPEQLEEVREATRRETHILRQVAGHPHIITLIDSYESS--------------------------------SFMFLVFDLMRKGELFDYLTEKVA---------------------------------------------------L---------------------------------------------------------------------------------------------------------------------------------SE-------KETRSIMRSLLEAVSFLHANNIVHRDLKPENILLDD-NMQIRLSDFGFSCHLEPGE-KLRELCGTPGYLAPEILKCSMDETHPGYGKEVDLWACGVILFTLLAGSPPFWHRRQILMLRMIMEGQYQF----------------SS--------PEWDDRSSTVKDLISRLLQVDPEARLTAEQALQHPFFE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Y7J.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1162 -34017 -29.27 -132.88 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.56 3D Compatibility (PKB) : -29.27 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_2Y7J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Y7J-query.scw PDB file : Tito_Scwrl_2Y7J.pdb: