Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLIEHYVALVKTGCAEYGQMNEMTLTEIADCLFCTERNAKLILHKLENSNWIIRESGAGRGRKSKIAFLRRPEELLLQTAKEYTMSGKLKKAKELLQQYQSAFPGLQNEYNMWLSEVFGFVTETGENGAKDVLRLFITPESVSSLDPCQIFLRSEGHFVKQIFDTLFTFDSDMQEPKPHLVHGWEEVG-KKQWRFFLRKGVLFHNGQPLTSRDVAFTFQRFLELA-DNPYKWLLHGVKQVLEKGPYCVELILDKPNALLPYALCDERLSILPAEQG--------GGKNGTGPFQMNQQH-SGMLVLEANERYFKG-RPYLDRVEFVFSEQAGE-MN---GFTIQ-E-----------KQTCPEQQTVFDERHVQYLSLNLKKKGPLQHRSFRKALRLLISSERLVREAGGHRRIPVTSFLHPSP--------FEWEGVSPSELLKKSGYEG-ETIVLYTFS-ETDHREDAEWIQNICAQHGIRLTLQFCDAADLRRPE-----IVQMADIIHDSATFYQDSEFGFLHL-LLSEN-----SFLYQHLSEKLTQICSGMTERMFSMPDRCSRINILRDIDRQMIQELNAIPLYQNVLQVTSSKNVKGLVLDEEGWIDLYSVWLSK 1UQW Chain:A ((23-508)) ---------------------------------------------------------------------------------------------------------------------------------AAKDVVVAV-GSNFTTLDPYDANDTLSQAVAKSFYQGLFGLDK-EMKLKNVLAESYTVSDDGITYTVKLREGIKFQDGTDFNAAAVKANLDRASDPANHLKRHNLYKNIAKTEAIDPTTVKITLKQPFSAFINILAHPATAMISPAALEKYGKEIGFYPVGTGPYELDTWNQTDFVKVKKFAGYWQPGLPKLDSITWRPVADNNTRAAMLQTGEAQFAFPIPYEQATLLEKNKNIELMASPSIMQRYISMNVTQ-KPFDNPKVREALNYAINRPALVKVAFAGYATPATGVVPPSIAYAQSYKPWPYDPVKARELLKEAGYPNGFSTTLWSSHNHSTAQKVLQFTQQQLAQVGIKAQVTAMDAGQRAAEVEGKGQKESGVRMFYTGWSASTGEADWALSPLFASQNWPPTLFNTAFYS----NKQVDDFLAQALKTNDPAEKTRLYKAAQDIIWQESPWIPLVVEKLVSAHSKNLTGFWIMPDTGFSFEDADL--

General information: TITO was launched using: RESULT: Template: 1UQW.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 : 2396 -177751 -74.19 -406.75 target 2D structure prediction score : 0.03 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -74.19 2D Compatibility (Sec. Struct. Predict.) : 0.03 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_1UQW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UQW-query.scw PDB file : Tito_Scwrl_1UQW.pdb: