Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVYHFVGIKGTGMSPLAQILHDNGYTVQGSDIEKFIFTQTALEKRNITILPFSAENIKPGMTVIAGNAFPDTHPEIEKAMSEGIPVIRYHKFLGDYM----KKFTSVAVTGAHGKTSTTGLLAHVIQNAKP-TSFL-------IGDG----TGQG--NE-----------NSEYFVFEACEYRRH---FLSYQPDYAIMTNIDFDHPDYFSSIDDVFDAFQEMALQVNK--GIIACGDDEHLPKIHANVPVVYYGTGEENDFQARNIVKSTEGTTFDVFVRNTFYDTFYIPAYGHHNVLNSLAVIALCHYEEIDSSIIKHALKSFGGVKRRFNEKQ-L--GDQVLIDDYAHHPTEIKVTIEAARQKYPDREIVAVFQPHTFTRTQQFLDEFAESL--SGADCVYLCDIFGSARENAGKLTIGDLQGKIH---NA-KLI-EEDDTSVL--KAHDKAVLIFMGAGDIQKYMRAYENVMA 4BUB Chain:A ((62-457)) -----------------------------------------------------------GAVAVVVEREIDLDFPYIQVFDSRY----FEAKVASLFFEDPWKDVLTFGVTGTNGKTTTTMMIYHMLTSLGERGSVLTTAVKRILGNSYYDDITTPDAITILSAMKENREGGGKFFALEVSSHALVQQRVEGVRFDVGIFTNISRDHLDFHGTFENYLKAKLHLFDLLKDDGVAVLNESLADAFN--RKSRKITFGTSKNADYRLGNIEVSWEGTQFVLETP-DGLLKVFTRAIGDFNAYNAAAAIAALHQLGYDPKDLASSLETFTGVEGRFEVVRGAKKIGLNVVVDFAHSPDALEKLLKNVRKISQ-GRVIVVFGAGGNS--DRGKRPMMSEVASKLADVVILTTDDP-RGEDPEQIME-DLIKGIDKRKPYLVLFDRREAIETALTIANRGDSVVIAGRGHER-----------

General information: TITO was launched using: RESULT: Template: 4BUB.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 : 1830 -323 -0.18 -0.92 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -0.18 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.416

(partial model without unconserved sides chains): PDB file : Tito_4BUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BUB-query.scw PDB file : Tito_Scwrl_4BUB.pdb: