Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKEAFMEKLLSFMKEEAYKPLTVQELEEMLNITEAEEFKELVKALVALEEKGLIVRTRSDRYGIPEKMNLIKGKISAHAKGFAFLLPEDTSLSDVFIPPNELNTAMNGDIVMVRLNSQSSGSRQEGTVIRILERAIQRVVGTYTETRNFGFVIPDDKKITSDIFIPKNGKNGAAEGHKVVVKLTSYPEGRMNAEGEVETILGHKNDPGIDILSVIHKHGLPGEFPADAMEQASSTPDTIDEKDLKDRRDLRDQVIVTIDGADAKDLDDAVTVTKLDDGSYKLGVHIADVSHYVTENSPIDKEALERGTSVYLVDRVIPMIPHRLSNGICSLNPKVDRLTLSCEMTINSQGQVTEHEIFQSVIKTTERMTYSDVNKILVDDDEELKQKYEPLVPMFKDMERLAQILRDKRMDRGAVDFDFKEAKVLVDDEGA-VKDVVIRERSVAEKLIEEFMLVANETVAEHFH-WMNVPFIYRIHEEPNAEKLQKFLEFVTTFGYVVKGTAGNIHPRALQSILDAVRDRPEE----TVISTVMLRSMKQAK------YDPQSLGHFGLSTEFYTHFTSPIRRYPDLIVHRLIRTYLINGKVDEATQEKWAERLPDIAEHTSSMERRAVDAERETDDLKKAEYMLDKIGEEFDGMISSVTNFGMFVELPN-TIEGLVHVSFMTDD--YYRFDEQHFAMIGERTGNVFRIGDEITVKVVDVNKDERNIDFEIVGMKGTPRRPRELDSSRSRKRGKPARKRVQSTNTPVSPAPSEEKGEWFTKPKKKKKKRGFQNAPKQKRKKKK 2WP8 Chain:J ((504-936)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LTKRKDLRDKLICSIDPPGCVDINDALHAKKLPNGNWEVGVHIADVTHFVKPGTALDAEGAARGTSVYLVDKRIDMLPMLLGTDLCSLKPYVDRFAFSVIWELDDSANIVNVNFMKSVIRSREAFSYEQA-QLRIDD----KTQNDELTMGMRALLKLSVKLKQKRLEAGALNLASPEVKVHMDSETSDPNEVEIKKLLATNSLVEEFMLLANISVARKIYDAFPQTAMLRRHAAPPSTNFEILNEMLNTRKNMSISLESS---KALADSLDRCVD-PEDPYFNTLVRIMSTRCMMAAQYFYSGAYSYPDFRHYGLAVDIYTHFTSPIRRYCDVVAHRQLAGAIGYEPLSLTHRDK--NKMDMICRNINRKHRNAQFAGRASIEYYVGQVMRNNESTE-TGYVIKVFNNGIVVLVPKFGVEGLIRLDNLTEDPNSAAFDEVEYKL---------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2WP8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 2209 -26318 -11.91 -62.96 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain J : 0.68 3D Compatibility (PKB) : -11.91 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_2WP8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WP8-query.scw PDB file : Tito_Scwrl_2WP8.pdb: