Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNQITLAYLDYDDLDALQVVSVVSFYESFIDGADPLDMQGYLQTQLTTEILAVELAQSTSKFIGIKDHQILIGYMKVNDE--------KDAIEIQRLYLLKDYQNKGLGQRLLDEANRYAKTKQKRYLRLTVYEKNHAGIRFYERHGFKKIGIKHFPLGKQDRICPILEKEI 4E2A Chain:B ((2-172)) --SQVEIRKVNQDELSLLQKIAIQTFRETFAFDNTAEQLQNFFDEAYTLSVLKLELDDKESETYFILMSGKAAGFLKVNWGSSQTEQVLEDAFEIQRLYILKAYQGLGLGKQLFEFALERAQISGLSWVWLGVWEKNVKAQLLYAKYGFEQFSKHSFFVGNKVDTDWLLKKSL

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 B - contact count / total energy / energy per contact / energy per residue : 586 -23223 -39.63 -142.47 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -39.63 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.466

(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: