Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGIINLKKEAGMTSHDAVFKLRKILGTKKIGHGGTLDPDVVGVLPIAVGKATRMVEFMQDEGKIYEGEIILGYSTTTEDASGEVVAETPVLSSLDEKLVDEAIASLTGPITQIPPMYSAVKVNGRKLYEYARAGQEVERPERQVIIYQFERTSPISYDGQLARFTFRVKCSKGTYIRTLSVDLGEKLGYAAHMSHLTRTSAAGLQLEDALALEEIA-EKVEAGQLDFLHPLEIGTGDLVKVFLTPEEATEVRFGRFIELDQTDKELAAFEDDKLLAILEKRGNLYKPRKVFS 2AB4 Chain:A ((3-282)) -HGILVAYKPKGPTSHDVVDEVRKKLKTRKVGHGGTLDPFACGVLIIGVNQGTRILEFYKDLKKVFWVKMRLGLITETFDITGEVVEERE--CNVTEEEIREAIFSFVGEYDQVPPAYSAKKYKGERLYKLAREGKIINLPPKRVKIFKI---WDVNIEGR--DVSFRVEVSPGTYIRSLCMDIGYKLGCGATAVELVRESVGPHTIEESLNVFEAAPEEIE----NRIIPLEKCLEWLPRVVVHQESTKMILNGSQIHLEML-KEWDGFKKGEVVRVFNEEGRL--------

General information: TITO was launched using: RESULT: Template: 2AB4.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 : 1366 -105453 -77.20 -389.12 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -77.20 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_2AB4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AB4-query.scw PDB file : Tito_Scwrl_2AB4.pdb: