Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIYLNGELTDT-----------PSQNLLQLIQELALEGKRFA-----VEHNQQIVPKSKLEQISIAQHDRIEIIHAVGGG 2Q5W Chain:D ((1-77)) MKVLYFAEIKDILQKAQEDIVLEQALTVQQFEDLLFERYPQINNKKFQVAVNEEFVQKSD----FIQPNDTVALIPPVSGG

General information: TITO was launched using: RESULT: Template: 2Q5W.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 154 -3606 -23.42 -59.11 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain D : 0.72 3D Compatibility (PKB) : -23.42 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.572

(partial model without unconserved sides chains): PDB file : Tito_2Q5W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Q5W-query.scw PDB file : Tito_Scwrl_2Q5W.pdb: