Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARFCGSPPPCSPKERPDDRPSPSSPPSLSSSAPLSLRASVSPASPSSRLSFPPISDLSYYSSRSPPSSSAFSSSSCASVALLIDEEEMASPFSHAGPASHPESPSRISAILRTLVHHGWLSRKTGMGVQQSEDASEKPQTEETHPAVSSLSPPTSSACGETQAAHTDGREQRRSLLGPATKSNAVPGVSECPSLCLYESPSDGASVSLSPPGEDGAPPVSSRLPACSSSEGRRLRDFDASVPRESPPAFPFYSTHPSLLVLPCGRLATDEELCFCHTAGYVSRVESVFPSLGSSLPRKAAKAGAAKGRGVPGEKEKKALHASLPDRFKKGRRWSSHNVDTDSKSTSCHSPSAASSADSSLSAQSSASSPSSRASFPLPSSLSVVSVSETPPSPFSRLNAASADSSSNAFDCHLSTHPRSLDGTQPALFPGSCGGEGNSGHPVSRSEALCEAETVASSEVHATPLAEVTRAPGTGFGGAAAAREEEKSEKREAVFPCSSPVSLSVLSTAPSTVASLEESSDARTACDAYAASLEAEPCAVTDAKPSAALPPALAVSSSCESHLSSEVTEELGNNGPASPALPQFVNLFGGDTFICPRTPHTARLAAGAALELCDLIYGSPTVERHKETRRKRQGLRRKESKGERHAERHRERQQQGGRQERHLEGDEELKAREGETEARLASGVSDEGGRGACSGVCDGRDKQDSEREDDTPAATEEHGGEDRRDDTPAATEEHGGEDRRDGPNEQRQENKVKRGFAIIRPPGHHACSHEAAGFCIYNNVALAANYLLAN--HGLSRVAILDWDVHHGNGTQDLFYNSSSVLYLSVHRFEKAKPVSASHGEALHASPSPGAGAAGPSPESPRASDSPAASGAAFYPGTG--SLTETGVSVGRGYTINVPLSR-GYTDGDMFWVFCGVIAPALTAFRPQAILVSAGFDAAAGDPLGGCLLSPALFAWMTRQVCRLADIHCEGKALFFLEGGYQGDVLGACVEACVAALVNLSEENKPEERHRPKETADTAEDAGKGEEKPVKRRESPRGARDRGRDCVDQTVQLCQKERRSRDENEAACSRSLLSGRLGETLARLDSGILQGVEEGVELPSTEGPSACGSPPSISLPASLRVHANPPGWPPFRVLSPSSASFPSPASPLSSYALPRLLEEPVAAFCPKCRHRVRKRTSLSATSSAGEALSRGASRRASACNSDLSFFVEKRKEPKFVPEPFPPAERWVVIPPSAVDVAMRDAGDVARWAPTATAETPRRKKGRGDRKKKGEKGRSEARKSGSRNANCEERDSHEDVALRLQGIASEVETETGRATPVSVSESCLSPCSNVLLPAFPADSARFGSTLRNPCPTVRSPGALSQGHGLPAVCPQFGSRPSSPSTVLSLSPLCKVWASSPASRPTEVSSACGPLSDEVTSLCPGFRLDAIEEGSQEMTNSQLPQVLGALSASSLAATPGPQCPTSPALVCAACGVPLETAETAFPSSCPASPTLSFSSFSAAASPASFVARPRSGSVSDHVRVGKTQNDGGRQLQKSVVCRQATYDTLRLVRRVHAGSPFFLPPLPPLPKTVKTKSVEAAREQTDGDAETAEQVSLCLREGGDFRDQATDQQSLAHAQPPDSASDGTETRHSTHGVRGSRASAAPEPRPKTPDLSATPSIASPLASSCSALSSSGPPHTSTTPCGSTSSFSSSLSVSASLLPASRTLANVLPAGLLSHVRGRIVGGRARGAREESEAALQRNETIEQGQLVKLCNWGEAAFYTWVQMHSKKGEPEETDSGEDVTVTLQALETLFGRLQRPRKNSRENSGELQRKSKDENPTGSETLAVHTTRMPRQEAVPSAVLSFDPQQVLDLLRIQPDGVAISEPPSASSVASDALSPSSVSSDVATELAKFMPRCHRVFWTHAWALAEPPSTRKTNCEGGRKRCHGDEGMGEKEGESRLPRSPTEPRDASVADVDRRSRSALNSSQQSVPQGSSGEASRSSSSSASSSCRGSSGPESRGAPLAFPASSACGSRFACAVALADLAQFVRPCVMDIKMGIQMYDPSCTDAGKIQRMQEKARGRSVGSHGFFICGVSAGAVDSGTARVSEEISTEAGKSKVLESETTEDLCGGSEACDECNRGAAQDAGQVAPSSLRPFVLSSQEAYAVTQDEAFLRVFTNFFCVNNSTELAARLIRKCLGKLATLQRFFERQKQVSFYGSSLLFVFDADPAPDRLPVLRDSSDGPPALSVRRTQYAGTTQTQRPPVLQQNDRRGGGNAARRRDAHRAADVECAECGRKREAVYDAIVESFGVYMVDFAHVNFSRKQHDRGYLFGLANLQRLFARVLHSLGSSPSPAIAEAAVVSEEETRANSSESGEKKNEAEPKHDREGRP 5IKK Chain:A ((123-378)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LYYNNESAFCARLACGSA---IETCTAVVTGQVKNAFAVVRPPGHHA---------LFNNVSVTARSMLQRFPDKIKRVLIVDWDIHHGNGTQMAFYDDPNVLYVSLHRYEN----------------------------------------GRFYPGTNYGCAENCGEGPGLGRTVNIPWSCAGMGDGDYIYAFQRVVMPVAYEFDPDLVIVSCGFDAAAGDHIGQFLLTPAAYAHMTQMLMGLA----DGKVFISLEGGYNLDSISTSALAVAQSLLGIPPGRLHT-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IKK.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 : 1246 -59259 -47.56 -261.05 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -47.56 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.041

(partial model without unconserved sides chains): PDB file : Tito_5IKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ikk-query.scw PDB file : Tito_Scwrl_5IKK.pdb: