Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMNDLPRWPRYRPIRVIGQGGFGTVYLCVDTEPTSTMYEQEVAVKAVSLGAL-SDEEVLMVMSEVSLLKNVGHPNIITYYDSFLYDDDESALSRKGGATLVPQADGDDIAAAGAGFRSQWLCLVTEYMDGGDLAALLRQYSGQELNSTKDVCEATSLSTVGTAAAARKRGRPSAAVTEDAAAGADQGEVSEGDWVSRSRLHRQRLATTLRAVPRPPMSTFPTTVTKATVMRWDGLDASVDQTWMSDASAAAMPTTPLGATDAEAADGAACGSRNGIQMPTAAASNAAVGSAATGAPHLTNVSVKNTVAAAGLASEPLEPQLPPPPNQLWVESFLITDIAKQCLDALAYLHA-LCIVHRDIKPSNIYLSKRDGTVKIGDFGVSKLLQPAEPFTMTFVGTPFYLCPELCMGDPYSFGADIWALGVVLYELYCLKLPFTSDNVLAQIYVITEGVYDTAALGTPHAFAESQQAVLETLYGPSFLHSERLLHSLVVSMVDKMLQVDPAERP-----SAEELLTGVFGAGSTSRCGSSAGLPLAPVAPTPVHRPLSTCALAHDSVSTPPQRGPSSFAVKPEGVAATTPQAPSNRLGPSASEQHARWAGSLVAAASSTLQQEQGASRVSLTAPGSRRSRERRDDVVDDFTGAHAPLAVRVKTSVGDILQGMPSAQRERLGNRAAAEERDEKEEVSRAMLPVASPKPTPSSALFHSTVKAGVGSDSANRQAALSPSLAGRERAEVAALPEKRRGSTVGAEPPSLELAEHTALQLLPAAPFPLELLYGGLVNIGDSAVNSTGATGEQRTVDDKASVSTPLGAQATQQASPLSSMLPADRPPAVRTHCDDDDALDHPIGAQTRSEFMALMENIPWLKNAEVFSSIPLSAGCDNVMLVERANRSSVSASGADGALSSATDNTAAGGSEERAEGAAPASKGSRTAPHQRQSQLPSPLRSPHSPATGTEDMQMSSNPLLPVCRAGVVSPTAPRIEVKTISGTTITMGGSRRPPSSRSPFQRGSAGAAEMADAESTQSVSQRRVSGGLTAASRQPPCIPAAPLRQRVSVTALPTTVLTSTPKPPASRPDEPQMTQDASGPACPSPSLQPRGDADRQPTAVTVASKGASASHPRLFSSSGLEPTVGNAASEARLRPFSAAQMRATAIASASGAAPPTPKAHSPGHCEGYSTTELEALLQAKLLTHYQRRQRQLGAQRTQHAAQEAAKAAARAKLKALYDEVFVSRLDPASSDAAYTAPYHSGGTIDGPSEVPDEFVARTDKRSRAASDSGDSGAHFPGDDAVAAPVARAATQLPALEADAWAKGAPVAVHLTKEAASPSPPSAPSPPSAPSPPSAPSPPSAPSSHGSPLPFSVDATARQAETEESVLRALSAVYSRPVEIPATTVPGTGTLMDDGDYGKDWLAATPAVRRIREAASLAVAVEHQCAAFRRGKEPARLCVAPPWRPPHDSRDVPGLWETSSAEEEADVSARGRLGCPAPASVREEVRWRWSAPPSDLDDTAGTTSEDEERGALLSSTASSSAVPSISTSPSSSSSALLASTSGANMLDAPGQTSKTPSITAAPEADVQQRLQSRKLVPSGGELGGGVIGSRRSPADAHAGGPRPSSLLGSPMYLELDSVDGGIRGGHTRDDGIHGVSLSMSSLADASAKATAAAGHEKDETDSASASSSSTTSTISSTSSASHSSASHSSRALSHPHRSKDEARHDVSSSSHDDGSSAQNSSSGSSSDDAPSSASQTASFSFHSFGGAASSTDANDDDAEPCAATKRADSDGDEDMSYTYTVQLDAVTGRRHFEYVCPVTVEVVGALPGGCRVVSAVAALRALDFAKAAPLSAMQVPPSEHCSMKQGSDGLAARVLTAEAPTDLSATPSPHEGGDDTAAANGGISSCPGQDKTFLFDGEYHTMWQEDGGFGAAAASPPTPSAPAPSSSLSSLPPDAGATVGFTAVPGKQQGHVPAANGMAPPEGSQSAREATLHSALPSTTNWQPDATARVAAASSSCVEDGNNDGNGATAHLRGRAASLHLSGETLARVAAPLRPSHVALGALSEETMAKAHAPLTHPSLADSDPTKVNTEMLPASKSASSNADGNQAMGFLCDRACTQGQTAVTPAQEIAAVMETTWWMRVPSSPSASSQGLGTSQQQHQLTGSPQYIHLPLSLALRPLRQRTRFVGLLWRLWVSLKVSEPALSRVLLHRRGGAPSPSPGCTFAEAFGDWVTGTTPARDTDTGECTEVDVSQQSSSETSTSLRLGRTITTTATTEASSNSDTAADSQVLPASGSLTAPSRPSPLKWGLYYVEARTWCAVQLRTDADWAVVRRKISEMGTMLPFVRLYLLLEEAEPASE 4GV1 Chain:A ((6-281)) ------TMNEFEYLKLLGKGTFGKVILVKEKATGR-----YYAMKILKKEVIVAKDEVAHTLTENRVLQNSRHPFLTALKYSFQTH--------------------------------DRLCFVMEYANGGELFFHLSRERV---------------------------------------------------F---------------------------------------------------------------------------------------------------------------------------------SE-------DRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDK-DGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEI-----------------RFP-----------RTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHV--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GV1.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 : 1346 -64377 -47.83 -243.85 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -47.83 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_4GV1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GV1-query.scw PDB file : Tito_Scwrl_4GV1.pdb: