Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MTSVHQLQGVGSASAALLEKLNIFTTDDLLFHLPRDYEDRSTIIPMNQLMVGRTYLLEGEVKSVDFPPGKRKSMAALIQDEFGKVTLRFYHIYKNLTDKIKPGNRLRIFGEVRVGARGLELYHPEIQLINEHTTLPKTQLTAIYPSTDGLTQAKLREYVKQALKHHSDALPELLPKQYTNGYALKEALHYIHEPPIDANMIQLAQDSHPAQQRLIFEELVAHQISLLTRRAYIRQIASPAFPSSKVLAKKLLEALPFQMTNAQKRVSKEILNDLKQHQPMLRLVQGDVGAGKTLVAAVAACHALEADWQ--VALMAPTEILAEQHYLNFKRWFEP-LGITVAWLSGKQKGKARAHAERQIKEGHAELIVGTHALF-------QDNVEFAKLGLVIIDEQHRFGVDQRLAL-------RNKGAEQLTPHQLVMTATPIPRTLAMSAY-GDLDTSIIDELPPGRTPIQTVTIPL-------DRREEVLQRIASNCREGKQAYWVCTLVEQSETLDAQAAEA----------------TYQEMKERFPELN-----------IGLVHGKMKADEKQAVMQAFKNNELQLLIATTVIEVGVDVPNASIMVIENAERLGLSQLHQLRGRVGRGAKASFCVLLYKPPLSQNGQERLSILRESNDGFVIAEKDLELRGPGELLGTKQTGDMGFRVARLERDDHLLSQAHYVAQQVLKDYPEQADAL-------LKRWLPEAPRYAYV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4F92 Chain:B ((2-1724)) LAPRQVLDLEDLVFTQGSHFMANKRCQLPDGSFRRQRKGYEEVHVPALKPKPFGSEEQLLPVEKLPKYAQAGFEGFKTLNRIQSKLYRAALETDENLLLCAPTGAGKTNVALMCMLREIGKHINMDGTINVDDFKIIYIAPMRSLVQEMVGSFGKRLATYGITVAELTGDHQLCKEEISATQIIVCTPEKWDIITRKGGERTYTQLVRLIILDEIHLLHDDRGPVLEALVARAIRNIEMTQEDVRLIGLSATLPNYEDVATFLRVDPAKGLFYFDNSFRPVPLEQTYVGITEKKAIKRFQIMNEIVYEKIMEHAGKNQVLVFVHSRKETGKTARAIRDMCLEKDTLGLFLREGSASTEVLRTEAEQCKNLELKDLLPYGFAIHHAGMTRVDRTLVEDLFADKHIQVLVSTATLAWGVNLPAHTVIIKGTQVYSPEKGRWTELGALDILQMLGRAGRPQYDTKGEGILITSHGELQYYLSLLNQQLPIESQMVSKLPDMLNAEIVLGNVQNAKDAVNWLGYAYLYIRMLRSPTLYGISHDDLKGDPLLDQRRLDLVHTAALMLDKNNLVKYDKKTGNFQVTELGRIASHYYITNDTVQTYNQLLKPTLSEIELFRVFSLSSEFKNITVREEEKLELQKLLERVPIPVKESIEEPSAKINVLLQAFISQLKLEGFALMADMVYVTQLAGRLMRAIFEIVLNRGWAQLTDKTLNLCKMIDKRMWQSMCPLRQFRKLPEEVVKKIEKKN-FPFERLYDLNHNEIGELIRMPKMGKTIHKYVHLFPKLELSVHLQPITR---------STLKVELTITPDFQWDEKVHGSSEAFWILVE---DVDSEVILHHEYFLLKAKYAQDEHLITFFVP------------------------VFEPLPPQYFIRVVSDRWLSCETQLPVSFRHLILPEKYPPPTELLDLQPLPVSAL----RNSAFESLYQDKFPFFNPIQTQVFNTVYNSDDN--------------------VFVGAPTGSGKTICAEFAILRMLLQSSEGRCVYITPMEALAEQVYMDWYEKFQDRLNKKVVLLTGE-----TSTDLKLLGKGN--IIISTPEKWDILSRRWKQRKNVQNINLFVVDEVHLIGGENGPVLEVICSRMRYISSQIERPIRIVALSSSLSNAKDVAHWLGCSATSTFNFHPNVRPVPLELHIQGFNISHTQTRLLSMAKPVYHAITKHSPKKPVIVFVPSRKQTRLTAIDILTTCAADIQRQRFLHCTEKDLIPYLEKLSDSTLKETLLNGVGYLHEGLSPMERRLVEQLFSSGAIQVVVASRSLCWGMNVAAHLVIIMDTQYYNG-----KIHAYVDYPIYDVLQMVGHANRPLQDDEGRCVIMCQGSKKDFFKKF-LYEPLPVE--------------SHLDH----CMHDHFNAEIVTKTIENKQDAVDYLTWTFLYRRMTQNPNYYNLQGISHRHLSDHLSELVEQTLSDLEQSKCISIEDEMDVAPLNLGMIAAYYYINYTTIELFSMSLNAKTKVRGLIEIISNAAEYENIPIRHHEDNLLRQLAQKVPHKLNNPKFNDPHVKTNLLLQAHLSRMQLSAELQSDTEEILSKAIRLIQACVDVLSSNGWLSPALAAMELAQMVTQAMWSKDSYLKQLPHFTSEHIKRCTDKGVESVFDIMEMEDEERNALLQLTDSQIADVARFCNRYPNIELSYEVVDKDSIRSGGPVVVLVQLEREEEVTGPVIAPLFPQKREEGWWVVIGDAKSNSLISIKRLTLQQKAKVKLDFVAPATGAHNYTLYFMSDAYMGCDQEYKFSVD

General information: TITO was launched using: RESULT: Template: 4F92.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 : 3236 8672 2.68 14.72 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : 2.68 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.326

(partial model without unconserved sides chains): PDB file : Tito_4F92.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4F92-query.scw PDB file : Tito_Scwrl_4F92.pdb: