Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISASRAAAARLVGAAASRGPTAARHQDSWNGLSHEAFRLVSRRDYASEAIKGAVVGIDLGTTNSCVAVMEGKQAKVLENAEGARTTPSVVAFTADGERLVGMPAKRQAVTNPNNTFYATKRLIGRRYDDPEVQKDIKNVPFKIVRASNGDAWVEAH----GKLYSPSQIGAFVLMKMKETAENYLGHTAKNAVITVPAYFNDSQRQATKDAGQISGLNVLRVINEPTAAALAYGL---DKSEDKVIAVYDLGGGTFDISILEIQKGVFEVKSTNGDTFLGGEDFDQALLRHIVKEFKRETGVDLTKDNMALQRVREAAEKAKCELSSSVQTDINLPYLTMDSSGPKHLNMKLTRAQFEGIVTDLIRRTIAPCQKAMQDAEVSKSDIGEVILVGGMTRMPKVQQTVQDLF-GRAPSKAVNPDEAVAIGAAIQGGVLAG-----DVTDVLLLDVTPLSLGIETLGGVFTKLINRNTTIPTKKSQVFSTAADGQTQVEIKVCQGEREMAGDNKLLGQFTLIGIPPAPRGVPQIEVTFDIDANGIVHVSAKDKGTGREQQIVIQSS-GGLSKDDIENMVKNAEKYAEEDRRKKERVEAVNMAEGIIHDTETKMEEFKDQLPADECNKLKEEISKMRELLARKDSETGENIRQAASSLQQASLKLFEMAYKKMASEREGSGSSGTGEQKEDQKEEKQ 5TKY Chain:A ((11-620)) ------------------------------------------------EVYDGAI-GIDLGTTYSCVAVYEGTNVEIIANEQGNFTTPSFVSFTENC-RLIGEAAKNQAAMNPANTIFDVKRLIGRRFDDPTVKKDMESWPFKVVD-DNGNPKVEVQYLGQTHTFSPQEISAMVLTKMKEIAETKLGKKVEKAVITVPAYFNDNQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLGSGKSDKERNVLIYDLGGGAFDVSLLNIQGGVFTVKATAGDTHLGGQDFDTNLLEYCKKEFTRKTKKDLSGDARALRRLRTACERAKRTLSSGAQTTIEIDSL-FDG---EDFNIQITRARFEDLNAKAFAGTLEPVAQVLKDAGIEKHQVDEIVLVGGSTRIPRIQKLLSEFFDGKKLEKSINPDEAVAYGAAVQAGILSGKATSAD--DLLLLDVVPLSLGVAMEGNIFAPVVPRGQTVPTIKKRTFTTVADNQQTVQFPVYQGERVNCEDNTLLGEFTLAPIPPMKAGEPVLEVVFEVDVNGILKVTATEKTSGRSANITIANSVGKLSTDEIEKMISDAEKFKSKCEAFSKRFEAKQQLESYISRVEEIISD---------KDKIEQALSEAMAQLEIEDS--------TADELKKKELALKRLVTKAMAS----------------------

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 : 3239 69285 21.39 118.84 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : 21.39 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.587

(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: