Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNIYDSANELSRGLRGLPEYKAVKAAKDAIAADAEASKIFTEYLAFQEEIQKLAQTGQMPDASFQAKMEGFGKQIQGNSLLSEFFTKQQQLAIYLSDIEKIVFEPVSELLK 2OEQ Chain:A ((3-113)) -EPLHALARQLEQAIRASEPFQQLKRAYEDVRRDETAYRMFANVRDIQLRLHEKQMRGAAILPDEIEQAQKAMALAQQNEKLARLMALEQQMSITIAEVQQIAMKPLEELHR

General information: TITO was launched using: RESULT: Template: 2OEQ.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 : 214 -27102 -126.64 -244.16 target 2D structure prediction score : 0.86 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -126.64 2D Compatibility (Sec. Struct. Predict.) : 0.86 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.613

(partial model without unconserved sides chains): PDB file : Tito_2OEQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OEQ-query.scw PDB file : Tito_Scwrl_2OEQ.pdb: