Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTFQYQVLANQLAHRIYQDELKPHQKLISLRDFARQQGISLSTAKSCYELLEARGLIYVKPKSGYFVVARTPSSPIPDSPDFLSLPRHVSNLELHNQIQKAALQSHLVPLGSIQLTPHFIPVEGLRRSIQRALKNCQPQDFLYCNKQGHEQLRKALSDHWREDGIYIAPE-DIFITNGCMPALSLVIQKLTEVGDSILIPTPTYNGHLQLLASLKRQIVEIPADHRGIDLE----RLESLMQQGL-AKVCLMTANYQNPLGYCFSNAEKEKIAELAAKYQCFIIEDDIFGECGYSSERPLPIRYWDREGYVIWCGSVSKSLSSAYRVGWFCLTTKLEHLKLELLVSNIGVNTPLQLGLADFIYSRGYREHLEQLRPNLMRQVEEYRSCILKAFEDI---PIALSQPEGGYALWIQLPKSVDSLALYYTAQAQGITVVPGHELTA--DVRQAIMSLAGWSRQQMQTVS 3ATH Chain:A ((68-419)) ------------------------------------------------------------------------------------------------ELLKLVETSDIISLAGGLPNPKTFPKEIIRDILVEIMEKYADKALQYGTTKGFTPLRETLM-KWLGKRYGISQDNDIMITSGSQQALDLIGRVFLNPGDIVVVEAPTYLAALQAFNFYEPQYIQIPLDDEGMKVEILEEKLKELKSQGKKVKVVYTVPTFQNPAGVTMNEDRRKYLLELASEYDFIVVEDDPYGELRYSGNPEKKIKALDNEGRVIYLGTFSKILAPGFRIGWMVGDPGIIR-KMEIAKQSTDLCTNVFGQVVAWRYVDG--GYLEKHIPEIRKFYKPRRDAMLEALEEFMPEGVKWTKPEGGMFIWVTLPDGIDSKKMLERAIKKGVAYVPGEAFYAHRDVKNTM---------------

General information: TITO was launched using: RESULT: Template: 3ATH.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 : 1777 -6307 -3.55 -18.49 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -3.55 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.435

(partial model without unconserved sides chains): PDB file : Tito_3ATH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ATH-query.scw PDB file : Tito_Scwrl_3ATH.pdb: