Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAVNFNMRLEAELKEQVTPILEDYGLTMPQAFKLFLNQIVKTKAIPLSFDYARETALTPKAAAKLLQSLKEIENGEYTEYETVEEAIKAMSEEAHG 2CPG Chain:A ((2-43)) --KKRLTITLSESVLENLEKMAREMGLSKSAMISVALENYKKGQ-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2CPG.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 : 60 -14690 -244.83 -349.75 target 2D structure prediction score : 0.93 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -244.83 2D Compatibility (Sec. Struct. Predict.) : 0.93 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.672

(partial model without unconserved sides chains): PDB file : Tito_2CPG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CPG-query.scw PDB file : Tito_Scwrl_2CPG.pdb: