Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARFCGSPPPCSPKERPDDRPSPSSPPSLSSSAPLSLRASVSPASPSSRLSFPPISDLSYYSSRSPPSSSAFSSSSCASVALLIDEEEMASPFSHAGPASHPESPSRISAILRTLVHHGWLSRKTGMGVQQSEDASEKPQTEETHPAVSSLSPPTSSACGETQAAHTDGREQRRSLLGPATKSNAVPGVSECPSLCLYESPSDGASVSLSPPGEDGAPPVSSRLPACSSSEGRRLRDFDASVPRESPPAFPFYSTHPSLLVLPCGRLATDEELCFCHTAGYVSRVESVFPSLGSSLPRKAAKAGAAKGRGVPGEKEKKALHASLPDRFKKGRRWSSHNVDTDSKSTSCHSPSAASSADSSLSAQSSASSPSSRASFPLPSSLSVVSVSETPPSPFSRLNAASADSSSNAFDCHLSTHPRSLDGTQPALFPGSCGGEGNSGHPVSRSEALCEAETVASSEVHATPLAEVTRAPGTGFGGAAAAREEEKSEKREAVFPCSSPVSLSVLSTAPSTVASLEESSDARTACDAYAASLEAEPCAVTDAKPSAALPPALAVSSSCESHLSSEVTEELGNNGPASPALPQFVNLFGGDTFICPRTPHTARLAAGAALELCDLIYGSPTVERHKETRRKRQGLRRKESKGERHAERHRERQQQGGRQERHLEGDEELKAREGETEARLASGVSDEGGRGACSGVCDGRDKQDSEREDDTPAATEEHGGEDRRDDTPAATEEHGGEDRRDGPNEQRQENKVKRGFAIIRPPGHHACSHEAAGFCIYNNVALAANYLLANHGLSRVAILDWDVHHGNGTQDLFYNSSSVLYLSVHRFEKAKPVSASHGEALHASPSPGAGAAGPSPESPRASDSPAASGAAFYPGTGSLTETGVSVGRGYTINVPLSRGYT----DGDMFWVFCGVIAPALTAFRPQAILVSAGFDAAAGD--PLGGCLLSPALFAWMTRQVCRLADIHCEGKALFFLEGGYQGDVLGACVEACVAALVN-----LSEENKPEERHRPKETADTAEDAGKGEEKPVKRRESPRGARDRGRDCVDQTVQLCQKERRSRDENEAACSRSLLSGRLGETLARLDSGILQGVEEGVELPSTEGPSACGSPPSISLPASLRVHANPPGWPPFRVLSPSSASFPSPASPLSSYALPRLLEEPVAAFCPKCRHRVRKRTSLSATSSAGEALSRGASRRASACNSDLSFFVEKRKEPKFVPEPFPPAERWVVIPPSAVDVAMRDAGDVARWAPTATAETPRRKKGRGDRKKKGEKGRSEARKSGSRNANCEERDSHEDVALRLQGIASEVETETGRATPVSVSESCLSPCSNVLLPAFPADSARFGSTLRNPCPTVRSPGALSQGHGLPAVCPQFGSRPSSPSTVLSLSPLCKVWASSPASRPTEVSSACGPLSDEVTSLCPGFRLDAIEEGSQEMTNSQLPQVLGALSASSLAATPGPQCPTSPALVCAACGVPLETAETAFPSSCPASPTLSFSSFSAAASPASFVARPRSGSVSDHVRVGKTQNDGGRQLQKSVVCRQATYDTLRLVRRVHAGSPFFLPPLPPLPKTVKTKSVEAAREQTDGDAETAEQVSLCLREGGDFRDQATDQQSLAHAQPPDSASDGTETRHSTHGVRGSRASAAPEPRPKTPDLSATPSIASPLASSCSALSSSGPPHTSTTPCGSTSSFSSSLSVSASLLPASRTLANVLPAGLLSHVRGRIVGGRARGAREESEAALQRNETIEQGQLVKLCNWGEAAFYTWVQMHSKKGEPEETDSGEDVTVTLQALETLFGRLQRPRKNSRENSGELQRKSKDENPTGSETLAVHTTRMPRQEAVPSAVLSFDPQQVLDLLRIQPDGVAISEPPSASSVASDALSPSSVSSDVATELAKFMPRCHRVFWTHAWALAEPPSTRKTNCEGGRKRCHGDEGMGEKEGESRLPRSPTEPRDASVADVDRRSRSALNSSQQSVPQGSSGEASRSSSSSASSSCRGSSGPESRGAPLAFPASSACGSRFACAVALADLAQFVRPCVMDIKMGIQMYDPSCTDAGKIQRMQEKARGRSVGSHGFFICGVSAGAVDSGTARVSEEISTEAGKSKVLESETTEDLCGGSEACDECNRGAAQDAGQVAPSSLRPFVLSSQEAYAVTQDEAFLRVFTNFFCVNNSTELAARLIRKCLGKLATLQRFFERQKQVSFYGSSLLFVFDADPAPDRLPVLRDSSDGPPALSVRRTQYAGTTQTQRPPVLQQNDRRGGGNAARRRDAHRAADVECAECGRKREAVYDAIVESFGVYMVDFAHVNFSRKQHDRGYLFGLANLQRLFARVLHSLGSSPSPAIAEAAVVSEEETRANSSESGEKKNEAEPKHDREGRP 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 : 0.74 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -58.50 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.408

(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: