Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAITQERKNQLINEFKTHESDTGSPEVQIAILTDSINNLNEHLRTHKKDHHSRRGLLKMVGKRRNLLTYLRNKDVTRYRELINKLGLRR 2VQE Chain:O ((2-89)) -PITKEEKQKVIQEFARFPGDTGSTEVQVALLTLRINRLSEHLKVHKKDHHSHRGLLMMVGQRRRLLRYLQREDPERYRALIEKLGIRG

General information: TITO was launched using: RESULT: Template: 2VQE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain O - contact count / total energy / energy per contact / energy per residue : 223 -27070 -121.39 -307.61 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain O : 0.89 3D Compatibility (PKB) : -121.39 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.728

(partial model without unconserved sides chains): PDB file : Tito_2VQE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VQE-query.scw PDB file : Tito_Scwrl_2VQE.pdb: