Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFRIFKMSFAVIIIILALIAFNYTEHTSVIQSV--MLVFLGAVMFMQGLEERKKENDGSGAFNIYTAVFVWSVSLIGFTLHII 3WAK Chain:A ((252-302)) ------VTFAVSALIYLPFAFNYPGFSTIFYSPFQLLVLLGSAVIAAAFYQIEKWND--------------------------

General information: TITO was launched using: RESULT: Template: 3WAK.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 : 83 -23862 -287.49 -486.97 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -287.49 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_3WAK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WAK-query.scw PDB file : Tito_Scwrl_3WAK.pdb: