Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVKMKKCSREDLQTLQQLSIETFNDTFKEQNSPENMKAYLESAFNTEQLEKELSNMSSQFFFIYFDHEIAGYVKVNIDDAQSEEMGAESLEIERIYIKNSFQKHGLGKHLLNKAIEIALERNKKNIWLGVWEKNENAIAFYKKMGFVQTGAHSFYMGDEEQTDLIMAKTLI 4E2A Chain:A ((4-172)) --VEIRKVNQDELSLLQKIAIQTFRETFAFDNTAEQLQNFFDEAYTLSVLKLELDDKESETYFILMSGKAAGFLKVNWGSSQTEQVLEDAFEIQRLYILKAYQGLGLGKQLFEFALERAQISGLSWVWLGVWEKNVKAQLLYAKYGFEQFSKHSFFVGNKVDTDWLLKKSL-

General information: TITO was launched using: RESULT: Template: 4E2A.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 : 673 -83575 -124.18 -494.53 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -124.18 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_4E2A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E2A-query.scw PDB file : Tito_Scwrl_4E2A.pdb: