Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARFCGSPPPCSPKERPDDRPSPSSPPSLSSSAPLSLRASVSPASPSSRLSFPPISDLSYYSSRSPSSSSAFSSSSCASVALLIDEEEMASPFSHAGPASHPESPSRISAILRTLVRHGWLSRKTGMGVQQSEDASEKPQTEETHPAVSSLSPPTSSACGETQAAHTDGREQRRSLLGLATKSNAVPGVSECPSLCLYESPSDGASVSLSPPGEDGAPPVSSRLPAYSSSEGRRLRDLCDASVPRESPPAFPFYSTHPSLLVLPCGRLATDEELCFCHTAGYVSRVESVFPSLGSSLPRKAAKAGAAKGRGVPGEKEKKALHASLPDRFKKGRRWSSHNVDTDSKSTSCHSPCAASSADSSLSAQSSASSPSSRASLPRPSSPSVVSVSETPPSPFSRLNAASADSSSNAFDCHLSTHPRSLDGTQPALFPGSCGGEGNSGHPVSRSEALCEPETVASSELHAAPLAEVTRAPGTGFGGAAAAREEEKSEKREAVFPCSSPVSLSVLSTAPSTVASLEESSDARTACDAYAASLEAEPCAVTDAKPSAALPPALAVSSSCESHLSSEVTEELGNNGPASPALPQFVNLFGGDTFICPRTPHTARLAAGAALELCDLIYGSPTVERHKETRRKRQGLRRKESKGERHAERHRERQQQGGRQERHLEGDDEELKAREGETEARLASGVSDEGGRGACSGVCDGRDKQDSEREDDTPAATEEHGGEDRRDDTPAATEEHGGEDRRDDTPAATEEHGGEDRRDGPNEQRQENKVKRGFAIIRPPGHHACSHEAAGFCIYNNVALAANYLLAKHGLSRVAILDWDVHHGNGTQDLFYNSSSVLYLSVHRFEKAKPVSASHGEALHASPSPGAGAAGPSPESPRASDSPAASGAAFYPGTGSLTETGVSVGRGYTINVPLSRGYT----DGDMFWVFCGVIAPALTAFRPQAILVSAGFDAAAGD--PLGGCLLSPALFAWMTRQVCRLADIHCEGKALFFLEGGYQGDVLGACVEACVAALVN-----LSEENKPEERHRPKETADNAEDAGKGEEKLVKRRESPRGARDRGRDCVDQTVQLCQKERRSRDENEAACSRSLLSGRLGETLARLDSGILQGVEEGVELPSTEGPSACGSPPSISLPASLRVHANPPGWPPFRVLSPSSASFPSPASPLSSYALPRLLEEPVAAFCPKCRHRVRKRTSLSATSSAGEALSRGASRRASACNSDLSFFVEKRKEPKFVPEPFPPAERWVVIPPSAVDVAMRDAGDVARWAPTATAETPRRKKGRGDRKKKGEKGRSEARKSGSRNANCEERDSHEDVALRLQGIASEVETETGRATPVSVSESCLSPCSNGLLPAFPADSARFGSTLRIPCPTVRSPGALSQGHGLPAVCPQFGSRPSSPSTVLSLSPLCKVWASSPASRPTEVSSACGPLSDEVTSLCSGFRLDAIEEGSQEMTNSQLPQVLGALSASSLAATPGPQCPTSPALVCAACGVPLETAETAFPSSCPASPTLSFSSFSAAASPASFVARPRSGSVSDRVRVGKTQNDGGRQLQKSVVCRQATYDTLRLVRRVHAGSPFFLPPLPPLPKTVKTKSVEAAREQTDGDAETAEQVSLCLREGGDFRDQATDQQSLARAQPPYSAGDGTETRHSTHGVRGSRASAAPEPRPKTPDLSATPSIASPLTSSCSGLSSSGPPHTSTTPCGSTSSFSSSLSVSASLLPASRTLANVLPAGLLSHVRGRIVGGRARGAREESEAALQRNETIEQGQLVKLCNWGEAAFYTWVQMHSKKGEPEETDSGEDVTVTLQALETLFGRLHRPGKNSGENSGELQRKSKDENPTGSETLVVHTTRMPRQEAVPSAVLSFDPQQVLDLLRIQPDGVAISEPPSASSVASDALSPSSVSSDVATELAKFMPRCHRVFWTHAWALAEPPSTRKTNCEGGRKRCHGDEGRGEKEGESRLPRSPTEPRDASVADVDRRSRSALNSSQQSVPQGSSGEASRSSSSSASSSSCLGSSGPESRGAPLAFPASSACGSRFACAVALADLAQFVRPCVMDIKMGIQMYDPSCTDAGKIQRMQEKARGRSVGSHGFFICGVSAGAVDSGTARVSEEISTEAGKSKVLESETTEDLCGGSEACDECNRGAEQDAGQVAASSLRPFVLSSQEAYAVTQDEAFLRVFTNFFCVNDSTELAARLIRKCLGKLATLQRFFEHQKQVSFYGSSLLFVFDADPAPDRLPVLRDSSDGPPALSVRRTQYAGTTQTQRPPVLQQNDRRGGGNAERRRDAHRAADVECAECGRKREAVYDAIVESFGVYMVDFAHVNFSRKQHDRGYLFGLANLQRLFARVLHSLGSSPSPAIAEAAVVSEEETRANSSGSGEKKNEAEPKHDREGRP 3ZNS Chain:B ((176-395)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELKNGFAVVRPPGHHADHSTAMGFCFFNSVAIACRQLQQQSKASKILIVDWDVHHGNGTQQTFYQDPSVLYISLHRHDDGN----------------------------------------FFPGSGAVDEVGAGSGEGFNVNVAWAGGLDPPMGDPEYLAAFRIVVMPIAREFSPDLVLVSAGFDAAEGHPAPLGGYHVSAKCFGYMTQQLMNLAG----GAVVLALEGGHDLTAICDASEACVAALLGNRVDPLSEEGWKQK-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ZNS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1231 -72011 -58.50 -344.55 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -58.50 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_3ZNS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZNS-query.scw PDB file : Tito_Scwrl_3ZNS.pdb: