Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDEILKQYMVLYKKMSNMINGPDYPGKEKDIQHQKD---QIEVYEKQLQQGFSTDYDYDVFADSVIKCAYGDMTLEDLEAVYYGLTTPFF 2W3A Chain:B ((161-185)) ---------------------PEYPGVLSDVQEEKGIKYKFEVYEK--------------------------------------------

General information: TITO was launched using: RESULT: Template: 2W3A.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 30 885 29.50 40.23 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain B : 0.53 3D Compatibility (PKB) : 29.50 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_2W3A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W3A-query.scw PDB file : Tito_Scwrl_2W3A.pdb: