Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLTKLLTYLTTEPS-VNDSQDPEITSIEMDSREVKKGSLFVCVKGYTVDGHDFAQKAVENGAAAIVAEREVDVNVPVIIVRQSLRALSVLSDAFYGQPTKKLQLIGITGTNGKTSTTHMVDEILKKAGKRTGLIGTMYMKIGDETLPVKNTTPESVTLQKTFKKMNDKHVDTAIMEVSSHALSLGRVHGCDYDIAVFTNLTQDHLDYHKTMDEYRHAKSLLFSQLGGAFNHEHPKRAVLNADDEASAYFEKVTAAHISTYGIKNDADVMAKNISITAQGTSFDLVTNKGTKH-ITMSLVGQFNVYNVLAAVATCIAAGI-PFEIITEAVEELHGVRGRFELVNQQ--QEFPVIVDYAHTPDSLENVLETCRDMTEGKLFVVVGCGGDRDKTKRPKMAKIAV-ELADEPIFTSDNPRSEDPRAILRDMEAGVEN-AYYHSIANREQAIFFAIANAKKGDVVLIAGKGHETYQQIGN-ETFDFDDAEVAARAIVELNKNKTNS 4BUB Chain:A ((1-482)) MNISTIVSNLKDLILEVRAPYDLEITGVSNHSSKVKKGDLFICRR-------EIIPEVMEKGAVAVVVEREIDLDFPYIQVFDSRYFEAKVASLFFEDPWKDVLTFGVTGTNGKTTTTMMIYHMLTSLGERGSVLTTAVKRILGNSYYDDITTPDAITILSAMKENREGGGKFFALEVSSHALVQQRVEGVRFDVGIFTNISRDHLDFHGTFENYLKAKLHLFDLLKDD------GVAVLNESLADAF--NR--KSRKITFGTSKNADYRLGNIEVSWEGTQFVLETPD-GLLKVFTRAIGDFNAYNAAAAIAALHQLGYDP-KDLASSLETFTGVEGRFEVVRGAKKIGLNVVVDFAHSPDALEKLLKNVRKISQGRVIVVFGAGGNSDRG-KRPMMSEVASKLADVVILTTDDPRGEDPEQIMEDLIKGIDKRKPYLVLFDRREAIETALTIANRGDSVVIAGRGHERYQIIDEEKKVPFQDREVVEEIIRDK-------

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 : 2725 -299518 -109.91 -641.37 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -109.91 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.496

(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: