Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFSIFYGKEKLAPSPNKIDILRSLVGGTVSIFILLWLS-KLTHNIFIMAPFGATCVLLYTVSQSPLAQP-RNIIFGHLISAFVGLF-----FLKFIGVSIFTIAFSVGCAIALM-QVFKCVHPPAGANPLVILLTASSIHYEWNFLIFPVLVGAVSLVLVAMLINNIKAS----TKWPMYGLGILNTKK 2B2A Chain:A ((13-191)) MLT---RKEDLLTVLKQISALK----YVSNLYEFLLATEKIVQTSELDTQFQEFLTTTIIASEQNLVENYKQMTIKQVIDDSIILLGNKQNYVQQIGT--TTIGFYVEYRQTLYSSNFRNLLNIFGEEDFKYFLID--------FLVFTKVEQNGYLQVAGVCLNQYFSVQVKQKKWYKNN--------

General information: TITO was launched using: RESULT: Template: 2B2A.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 : 644 -74431 -115.58 -489.67 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -115.58 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.230

(partial model without unconserved sides chains): PDB file : Tito_2B2A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B2A-query.scw PDB file : Tito_Scwrl_2B2A.pdb: