Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARFCGSPPPCSPKERPDDRPSPSSPPSLSSSAPLSLRASVSPASPSSRLSFPPISDLSYYSSRSPSSSSAFSSSSCASVALLIDEEEMASPFSHAGPASHPESPSRISAILRTLVRHGWLSRKTGMGVQQSEDASEKPQTEETHPAVSSLSPPTSSACGETQAAHTDGREQRRSLLGLATKSNAVPGVSECPSLCLYESPSDGASVSLSPPGEDGAPPVSSRLPAYSSSEGRRLRDLCDASVPRESPPAFPFYSTHPSLLVLPCGRLATDEELCFCHTAGYVSRVESVFPSLGSSLPRKAAKAGAAKGRGVPGEKEKKALHASLPDRFKKGRRWSSHNVDTDSKSTSCHSPCAASSADSSLSAQSSASSPSSRASLPRPSSPSVVSVSETPPSPFSRLNAASADSSSNAFDCHLSTHPRSLDGTQPALFPGSCGGEGNSGHPVSRSEALCEPETVASSELHAAPLAEVTRAPGTGFGGAAAAREEEKSEKREAVFPCSSPVSLSVLSTAPSTVASLEESSDARTACDAYAASLEAEPCAVTDAKPSAALPPALAVSSSCESHLSSEVTEELGNNGPASPALPQFVNLFGGDTFICPRTPHTARLAAGAALELCDLIYGSPTVERHKETRRKRQGLRRKESKGERHAERHRERQQQGGRQERHLEGDDEELKAREGETEARLASGVSDEGGRGACSGVCDGRDKQDSEREDDTPAATEEHGGEDRRDDTPAATEEHGGEDRRDDTPAATEEHGGEDRRDGPNEQRQENKVKRGFAIIRPPGHHACSHEAAGFCIYNNVALAANYLLAKHGLSRVAILDWDVHHGNGTQDLFYNSSSVLYLSVHRFEKAKPVSASHGEALHASPSPGAGAAGPSPESPRASDSPAASGAAFYPGTGSLTETGVSVGRGYTINVPLSRGYT----DGDMFWVFCGVIAPALTAFRPQAILVSAGFDAAAGD--PLGGCLLSPALFAWMTRQVCRLADIHCEGKALFFLEGGYQGDVLGACVEACVAALVNLSEENKPEERHRPKETADNAEDAGKGEEKLVKR-RESPRGARDRGRDCVDQTVQLCQKERRSRDENEAACSRSLLSGRLGETLARLDSGILQGVEEGVELPSTEGPSACGSPPSISLPASLRVHANPPGWPPFRVLSPSSASFPSPASPLSSYALPRLLEEPVAAFCPKCRHRVRKRTSLSATSSAGEALSRGASRRASACNSDLSFFVEKRKEPKFVPEPFPPAERWVVIPPSAVDVAMRDAGDVARWAPTATAETPRRKKGRGDRKKKGEKGRSEARKSGSRNANCEERDSHEDVALRLQGIASEVETETGRATPVSVSESCLSPCSNGLLPAFPADSARFGSTLRIPCPTVRSPGALSQGHGLPAVCPQFGSRPSSPSTVLSLSPLCKVWASSPASRPTEVSSACGPLSDEVTSLCSGFRLDAIEEGSQEMTNSQLPQVLGALSASSLAATPGPQCPTSPALVCAACGVPLETAETAFPSSCPASPTLSFSSFSAAASPASFVARPRSGSVSDRVRVGKTQNDGGRQLQKSVVCRQATYDTLRLVRRVHAGSPFFLPPLPPLPKTVKTKSVEAAREQTDGDAETAEQVSLCLREGGDFRDQATDQQSLARAQPPYSAGDGTETRHSTHGVRGSRASAAPEPRPKTPDLSATPSIASPLTSSCSGLSSSGPPHTSTTPCGSTSSFSSSLSVSASLLPASRTLANVLPAGLLSHVRGRIVGGRARGAREESEAALQRNETIEQGQLVKLCNWGEAAFYTWVQMHSKKGEPEETDSGEDVTVTLQALETLFGRLHRPGKNSGENSGELQRKSKDENPTGSETLVVHTTRMPRQEAVPSAVLSFDPQQVLDLLRIQPDGVAISEPPSASSVASDALSPSSVSSDVATELAKFMPRCHRVFWTHAWALAEPPSTRKTNCEGGRKRCHGDEGRGEKEGESRLPRSPTEPRDASVADVDRRSRSALNSSQQSVPQGSSGEASRSSSSSASSSSCLGSSGPESRGAPLAFPASSACGSRFACAVALADLAQFVRPCVMDIKMGIQMYDPSCTDAGKIQRMQEKARGRSVGSHGFFICGVSAGAVDSGTARVSEEISTEAGKSKVLESETTEDLCGGSEACDECNRGAEQDAGQVAASSLRPFVLSSQEAYAVTQDEAFLRVFTNFFCVNDSTELAARLIRKCLGKLATLQRFFEHQKQVSFYGSSLLFVFDADPAPDRLPVLRDSSDGPPALSVRRTQYAGTTQTQRPPVLQQNDRRGGGNAERRRDAHRAADVECAECGRKREAVYDAIVESFGVYMVDFAHVNFSRKQHDRGYLFGLANLQRLFARVLHSLGSSPSPAIAEAAVVSEEETRANSSGSGEKKNEAEPKHDREGRP 2VQV Chain:A ((145-405)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGN----------------------------------------FFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAG----GRIVLALEGGYDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQRTTSTAGRSLIE--AQTCE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2VQV.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 : 1489 -58843 -39.52 -231.66 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -39.52 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.405

(partial model without unconserved sides chains): PDB file : Tito_2VQV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VQV-query.scw PDB file : Tito_Scwrl_2VQV.pdb: