Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAWKVEPYEISKAMELIYKYLLLDKKDFSLEEFYKLTIYAIKWKLEQAQFPLYLESTKKSHQNVIPQPFKIKGNVLYKTVIKNSGDFEE 2V25 Chain:A ((189-250)) LDAKRVDAFSVDKSILLGY----VDDKSEILPDSFEPQSYGIVTKKDDPAFAKYVDDFVKEHKNEI------------------------

General information: TITO was launched using: RESULT: Template: 2V25.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 : 85 -6899 -81.16 -111.27 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -81.16 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.067

(partial model without unconserved sides chains): PDB file : Tito_2V25.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2V25-query.scw PDB file : Tito_Scwrl_2V25.pdb: