Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKELKVTDLKKTYGEKDLFDQISFLVHEKDRIGLIGTNGTGKTSLLNIIAG--IDSSDGDRQTVFYPTDYRIGYLSQAAEFSDELTVLQAVFQGNSPLIQTVRAYEEALIELGENGE-DPDVQKRYA----KAEEQMNKEDAWTTDTNAKI--ILQKLGISE-LDKKISTLSGGQKKRVSLAQVLIDEPDLLLLDEPTNHLDYE-------AIEWLENYLKQYRGALLMVTHDRYFLDRVANRIFELSFGKLYEYKGNYEAYVLEKAERDRVE------VEQEEKRKRLYKQELAWMRAGVQARGTKQQARINRFEDLKENLYQVNQEDDLELNLATQRLGKKVLEIKD-GSYRINDQTLLEHLDLLIQSRERLGITGKNGAGKSTLLNILAGRIPLDSGTMSIGETVHLAYYTQENEEMAPDKRMIAYLQEAAEEAKTADGSQIGVAELLERFLFPRFMH--GTL------IGKLSGGEKRRLFLLKLLIQQPNVLLLDEPTNDLDIATLTILEDYFRSFP----GAVITVSHDRYFLDKVADKLLVFQGNGKQELYYGNMSSYLLKQKETQQPAEKAKPKIQSKEPAEKKKLSYMEQKEWETIEDEIAELEEKISLLQEEMNHQGDNFTRLQELQNDVSETEAQLEEKMARWEYLSEWVED 1YQT Chain:A ((43-477)) -------------------------VVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGD---------------------NDSWDGVIRAFRGNE-----LQNYFEKL----KNGEIRPVVKPQYVDLIPKAVKGKVIELLKKADETGKLEEVVKALELENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGK----SVLVVEHDLAVLDYLSD-IIHVVYGE----PGVYGIFSQPKGTRNGINEFLRGYLKDENVRFRPY--EIKFTKTG------------ERVEIERETL------------VTYPRL------VKDYGSFR------LEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEWDLTV--AYKPQ-------------YIKADYEGTVYELLSKIDASKLNSNFYKTELLKPLGIIDLYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVFEG----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1YQT.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 : 1879 36649 19.50 91.85 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 19.50 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.251

(partial model without unconserved sides chains): PDB file : Tito_1YQT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQT-query.scw PDB file : Tito_Scwrl_1YQT.pdb: