Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVVGLDVGSQSCYIAVARAGGIETIANEFSDRCTPSVISFGSKNRTIGVAAKNQQITHANNTVSNFKRFHGRAFNDPFIQKEKENLSYDLVPLKNGGVGIKVMYMGEEHLFSVEQITAMLLTKLKETAENSLKKPVTDCVISVPSFFTDAERRSVLDAAQIVGLNCLRLMNDMTAVALNYGIYKQDLPSLDEKPRIVVFVDMGHSAFQVSACAFNKGKLKVLGTAFDPFLGGKNFDEKLVEHFCAEFKTKYKLDAKSKIRALLRLYQECEKLKKLMSSNSTDLPLNIECFMNDKDVSGKMNRSQFEELCAELLQKIEVPLYSLLEQTHLKVEDVSAVEIVGGATRIPAVKERIAKFFGK-DISTTLNADEAVARGCALQCAILSPAFK-VREFSVTDAVPFPISLIWNHDSEDTEGVHEVFSRNHAAPFSKVLTFLR--RGPFELEAFYSDPQGVPYPEAKIGRFVVQNVSAQKDGEKSRVKVKVRVNTHGIFTISTASMVEKVPTEENEMSSEADMECLNQRPPENPDTDKNVQQDNSEAGTQPQVQTDAQQTSQSPPSPELTSEENKIPDADKANEKKVDQPPEAKKPKIKVVNVELPIEANLVWQLGKDLLNMYIETEGKMIMQDKLEKERNDAKNAVEEYVYEFRDKLCGPYEKFICEQDHQNFLRLLTETEDWLYEEGEDQAKQAYVDKLEELMKIGTPVKVRFQEAEERPKMFEELGQRLQHYAKIAADFRNKDEKYNHIDESEMKKVEKSVNEVMEWMNNVMNAQAKKSLDQDPVVRAQEIKTKIKELNNTCEPVVTQPKPKIESPKLERTPNGPNIDKKEEDLEDKNNFGAEPPHQNGECYPNEKNSVNMDLD 5TKY Chain:B ((14-619)) DGAIGIDLGTTYSCVAVYEGTNVEIIANEQGNFTTPSFVSFTENCRLIGEAAKNQAAMNPANTIFDVKRLIGRRFDDPTVKKDMESWPFKVVDD-NGNPKVEVQYLGQTHTFSPQEISAMVLTKMKEIAETKLGKKVEKAVITVPAYFNDNQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLGSGKS----DKERNVLIYDLGGGAFDVSLLNIQGGVFTVKATAGDTHLGGQDFDTNLLEYCKKEFTRKTKKDLSGDARALRRLRTACERAKRTLSSGA-QTTIEIDSLFDGEDFNIQITRARFEDLNAKAFAGTLEPVAQVLKDAGIEKHQVDEIVLVGGSTRIPRIQKLLSEFFDGKKLEKSINPDEAVAYGAAVQAGILSGK--DTSDLLLLDVVPLSLGVAMEG--N---IFAPVVPRGQTVPTIKKRTFTTVA--TVQFPVYQGERV-NCEDNTLLGEFTLAPIPPMK-AGEPVLEVVFEVDVNGILKVTATEKTS------------------------------------G------------------R-----------------------------S--------ANITIAN-SVGKLSTDEIEKMISDAEKFKSKCEAFSKRFEAKQQLESYISRVEEIIS---------GQKDKIEQALSEAMAQLEIEDST--ADELKKKELALKRLVTKAMA----------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5TKY.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 : 3247 -193284 -59.53 -330.97 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -59.53 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_5TKY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5TKY-query.scw PDB file : Tito_Scwrl_5TKY.pdb: