Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MNIWSILCLIWTLVAYVVAKRIYQKHPKLWLSPAI-------SVPVLTIILMTIFGISYQTYAEDTQWIVNL-------------------------------LGPATVAFAIPIYRYRETIRKKLGVLTIAIIVGM--SVGVMTAYKMAQWFHFSPEVTNSLMAR------SISTPFAMILAEDIHGSAALVSLFTVITGLVGMICGDAILAITKIRSN---VANGAALGN----------AAHGFGTVRAQQRN-------SEEGV-IASLTMVIAGILM----VLIGPFAIHL------------WLLL---- 5KE1 Chain:A ((2-323)) FGNNVKVEAIINNWA--QKDYKLLSADKGITGFSVSNISIINPLLTTGAIDYTKSYISDQNKLIYGLSWNDTDGDSHGEFNLKENAELTVSTILADNLSHHNINSWDGKSLTKSGEGTLILA-EKNTYSGFTNINAGILKMGTVEAMTRTAGVIVNKGATLNFSGMNQTVNTLLNSGTVLINNINAPF-LPDPVIVTGNMTLEKNGHVILNNSSSNVGQTYVQKGNWHGKGGILSLGAVLGNDNSKTDRLEIAGHASGITYVAVTNEGGSGDKTLEGVQIISTDSSDKNAFIQKGRIVAGSYDYRLKQGTVSGLNTNKWYLTSQMD

General information: TITO was launched using: RESULT: Template: 5KE1.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 : 1204 -41176 -34.20 -183.00 target 2D structure prediction score : 0.24 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -34.20 2D Compatibility (Sec. Struct. Predict.) : 0.24 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.051

(partial model without unconserved sides chains): PDB file : Tito_5KE1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KE1-query.scw PDB file : Tito_Scwrl_5KE1.pdb: