Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRDQEKIQIENEMNAMHGTIKEDILKDFEEFKGYLKKQVNRGKKLGLDDGKLVKSAAILGDYLAKH---EEPQNGEEMLLQELWSVADEDEKEHLAQLLVKLVDKQ 2A3D Chain:A ((2-56)) --------------------------GSWAEFKQRLAAIKTRLQALGGSEAELAAFEKEIAAFESELQAYKGKGNPEVEAL--------------------------

General information: TITO was launched using: RESULT: Template: 2A3D.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 : 76 -1839 -24.19 -35.36 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -24.19 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_2A3D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A3D-query.scw PDB file : Tito_Scwrl_2A3D.pdb: