Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQAKKSVDIKNIRNFSIIAHIDHGKSTLADRFIQMCGGLQDRE---MQAQVLDSMELERERGITIKAASVTLYYTHPNGQEYQLNFIDTPGHVDFSYEVSRSLAACEGALLVVDAAQGVEAQSVANCYTAIEQGLEVLPILNKIDLPQAEPERVIHEIEEII--------------------------------------------------------------------------GI----------------EATNAPTCSAKTGLGVEGVLETLVDVIPAPTG-DREAPLQALIIDSWFDNYLGVVSLVRIKDGRIRKGDKMLVKSTGQTHIVTSVGVFNP-KHTETGVLEAGEVGFVIAGIKDIFGAPVGDTITLSTTPEVASLPGFKKVKPQVYAGLFPIDASDFEPFREALQKLQINDSALFFEPESSDALGFGFRCGFLGMLHMEIVQERLEREYDLDLISSAPTVVYEAVTKKGD------------T-------IYI----------------------------------DSP-SKMPD---------------G-------------------SVVEDLREPIAECHILVPQEYLGNVMILCIERRGVQKDMKFLGNQVSITFEIPMAEVVMDFFDKLKSCSRGFASLDYNFIRFESSSLVKVDVLINGEKVDALAMICHRNDARHRGIALVDKMKDLIPRQMFDVAIQAAIGAQIIARSTVKAMRKNVLAKCYGGDVSRKKKLLAKQKEGKKRMKQVGSVEIPQEAFLAVLKVER 2DY1 Chain:A ((6-651)) ---------GAMIRTVALVGHAGSGKTTLTEALLYKTGAKERRGRVEEGTTTTDYTPEAKLHRTTVRTGVAPLLFR-----GHRVFLLDAPGYGDFVGEIRGALEAADAALVAVSAEAGVQVGTERAWTVAERLGLPRMVVVTKLDKGGD-YYALLEDLRSTLGPILPIDLPLYEGGKWVGLIDVFHGKAYRYENGEEREAEVPPEERERVQRFRQEVLEAIVETDEGLLEKYLEGEEVTGEALEKAFHEAVRRGLLYPVALASGEREIGVLPLLELILEALPSPTERFGDGPPLAKVFKVQVDPFMGQVAYLRLYRGRLKPGDSLQSEA--GQVRLPHLYVPMGKDLLEVEEAEAGFVLGVP-K---AEGLHRGMVLWQGEKPESEEVPFARLPDPNVPVALHPKGRTDEARLGEALRKLLEEDPSLKLERQEE--TGE-LLLWGHGELHLATAKERLQD-YGVEVEFSVPKVPYRETIKKVAEGQGKYKKQTGGHGQYGDVWLRLEPASEYGFEWRITGGVIPSKYQEAIEEGIKEAAKKGVLAGFPVMGFKAIVYNGSYHEVDSSDLAFQIAASLAFKKVMAEAHPVLLEPIYRLKVLAPQERVGDVLSDLQARRGRILGMEQEGALSVVHAEVPLAEV-LEYYKALPGLTGGAGAYTLEFSHYAEVPP--------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2DY1.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 : 2639 7671 2.91 16.57 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 2.91 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_2DY1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DY1-query.scw PDB file : Tito_Scwrl_2DY1.pdb: