Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLTKLLTYLTTEPSVNDSQDPEITSIEMDSREVKKGSLFVCVKGYTVDGHDFAQKAVENGAAAIVAEREVDVNVPVIIVRQSLRALSVLSDAFYGQPTKKLQLIGITGTNGKTSTTHMVDEILKKAGKRTGLIGTMYMKIGDETLPVKNTTPESVTLQKTFKKMNDKHVDTAIMEVSSHALSLGRVHGCDYDIAVFTNLTQDHLDYHKTMDEYRHAKSLLFSQLGGAFNHEHPKRAVLNADDEASAYFEKVTAAHISTYGIKNDADVMAKNISITAQGTSFDLVTNKGTKHITMSLVGQF---NVYNVLAAVATCIAAGI-PFEIITEAVEELHGVRGRFELVNQQQEFPVIVDYA-HTPDSLENVLETCRDMTEGKLFVVVGCGGDRDKTKRPKMAKIAVELADEPIFTSDNPRSEDPRAILRDMEAGVENAYYHSIANREQAIFFAIANAKKGDVVLIAGKGHETYQQIGNETFDFD-DAEVAARAIVELNKNKTNS 4BUC Chain:A ((121-446)) ----------------------------------------------------------------------------------------------------PKKVVGITGTDGKSTATALMYHVLSGRGFKTFLGGNFGTPA---------------V--EA---L-EGEYDYYVLEMSSFQLFW--SERPYLSNFLVLNISEDHLDWHSSFKEYVDSKLKPAFLQTEG------DLFVYNKHIERLRNLEGV-RSRKIPFWTDE--NFA-T---------EKELIVR----GKKYTLPGNYPYQMRENILAVSVLYMEMFNEL-ESFLELLRDFKPLPHRMEYLGQIDGRHFYNDSKATSTHAVLGALSNF-----DKVVLIMCGIGK-K-ENYSLFVEKASPKLKHLIMFGEIS-----KELAPFVGK-I---PHSIVENMEEAFEKAMEVSEKGDVILLSPGGAS-F------AKRGEHFREIFKRHG----------

General information: TITO was launched using: RESULT: Template: 4BUC.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 : 1661 -187182 -112.69 -596.12 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -112.69 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_4BUC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BUC-query.scw PDB file : Tito_Scwrl_4BUC.pdb: