Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLIEHYVALVKTGCAEYGQMNEMTLTEIADCLFCTERNAKLILHKLENSNWIIRESGAGRGRKSKIAFLRRPEELLLQTAKEYTMSGKLKKAKELLQQYQSAFPGLQNEYNMWLSEVFGFVTETGENGAKDVLRLFITPESVSSLDPCQIFLRSEGHFVKQIFDTLFTFDSDMQEPKPHLVHGWEEVG-KKQWRFFLRKGVLFHNGQPLTSRDVAFTFQRFLELA-DNPYKWLLHGVKQVLEKGPYCVELILDKPNALLPYALCDERLSILPAEQG---------------GGKNGTGPFQMNQQH-SGMLVLEANERYFKGRPYLDRVEFVFSEQAGE-MN---GFTIQ-----------EKQTCPEQQTVFDERHVQYLSLNLKKKGPLQHRSFRKALRLLISSERLVREAGGHRRIPVTSFLHPSP-----------FEWEGVSPSELLKKSGYEG-----------ETIV--LYTFS-ETDHREDAEWIQNICAQHGIRLTLQFCDAADLRRPEI--VQMADIIHDSATFYQDSEFGFLHLLLSE----NSFLYQHLSEKLTQICSGMTERMFSMPDRCSRINILRDIDRQMIQELNAIPLYQNVLQVTSSKNVKGLVLDEEG-WIDLYSVWLSK 1XOC Chain:A ((20-520)) ---------------------------------------------------------------------------------------------------------------------------------QGGDLVVGS-IGEPTLFNSLYSTDDASTDIENMLYSFLTKTDE-KLNVKLSLAESIKELDGGLAYDVKIKKGVKFHDGKELTADDVVFTYSVPLSKDYKGERGSTYEMLKSVEKKGDYEVLFKLKYKDGNFYNNALD-STAILPKHILGNVPIADLEENEFNRKKPIGSGPFKFKEWKQGQYIKLEANDDYFEGRPYLDTVTYKVIPDANAAEAQLQAGDINFFNVPATDYKTAEKFNNLKIVTDLALSYVYIGWNEKN-ELFKDKKVRQALTTALDRESIVSQVLDGDGEVAYIPESPLSWNYPKDIDVPKFEYNEKKAKQMLAEAGWKDTNGDGILDKDGKKFSFTLKTNQGNKVREDIAVVVQEQLKKIGIEVKTQIVEWSALVEQMNPPNWDFDAMVMGWSLSTFPD--QYDIFHSSQIKKGLNYVWYKN----AEADKLMKDAKSISDRKQYSKEYEQIYQKIAEDQPYTFLYYPNNHMAMPENLEGYKYHPKRDLYNIEKWWLAK

General information: TITO was launched using: RESULT: Template: 1XOC.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 : 2393 -155541 -65.00 -356.74 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -65.00 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_1XOC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XOC-query.scw PDB file : Tito_Scwrl_1XOC.pdb: