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:A ((14-619)) DGAIGIDLGTTYSCVAVYEGTNVEIIANEQGNFTTPSFVSFTENCRLIGEAAKNQAAMNPANTIFDVKRLIGRRFDDPTVKKDMESWPFKVVDD-NGNPKVEVQYLGQTHTFSPQEISAMVLTKMKEIAETKLGKKVEKAVITVPAYFNDNQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLGSGKS----DKERNVLIYDLGGGAFDVSLLNIQGGVFTVKATAGDTHLGGQDFDTNLLEYCKKEFTRKTKKDLSGDARALRRLRTACERAKRTLSSGA-QTTIEIDSLFDGEDFNIQITRARFEDLNAKAFAGTLEPVAQVLKDAGIEKHQVDEIVLVGGSTRIPRIQKLLSEFFDGKKLEKSINPDEAVAYGAAVQAGILSGKATSAD--DLLLLDVVPLSLGVAMEG--N---IFAPVVPRGQTVPTIKKRTFTTVADNQQTVQFPVYQGERV-NCEDNTLLGEFTLAPIPPMK-AGEPVLEVVFEVDVNGILKVTATEKTS------------------------------------G------------------R-----------------------------S--------ANITIAN-SVGKLSTDEIEKMISDAEKFKSKCEAFSKRFEAKQQLESYISRVEEIISD----------KDKIEQALSEAMAQLEIEDST--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 A - contact count / total energy / energy per contact / energy per residue : 3246 -162066 -49.93 -277.04 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -49.93 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.497

(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: