Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRVEPPYDVKEALVFTQKMAQLSKALWKSIEKDWQQWLKPYDLNINEHHILWIAYQLNGASISEIAKFGVMHVSTAFNFSKKLEERGYLRFSKRLNDKRNTYVQLTEEGTEVFWSLLEEFDPTRNAVFKGSQPLYHLFGKFPEVAEMMCMIRHIYGDDFMEIFETSLTNIDNDFESVNGKLKKKAKDSAADEPAEELEPVNS 2GXG Chain:A ((22-138)) ------------------------------MSRELNRRLGELNLSYLDFLVLRATS-DGPKTMAYLANRYFVTQSAITASVDKLEEMGLVVRVRDREDRRKILIEITEKGLETFNKGIEIYKKLANEVTGDLSE--------DEVILVLDKISKIL-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GXG.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 : 376 -61801 -164.36 -528.21 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -164.36 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.398

(partial model without unconserved sides chains): PDB file : Tito_2GXG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GXG-query.scw PDB file : Tito_Scwrl_2GXG.pdb: