Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMLAQLQNRFDQWVEQIVQYLDRLSVRERIMVVFTTIFVVVVIVGYSLWKMHSLAEQQQKRLNDLKDLMVWMQSNAVTMKPANELELDKSGKIQRVAQQQGLTVSSQQNGEQLQIVVTHQNYAILANFLIQLAQMGLSIQKMEMVSSEGQIKLTATV 4NRH Chain:A ((115-189)) ----------------------------------------------------------------------------------ADQLNVSPSGLRSLYLEVTGDTHTCDQLLSMLQDRYTYQDMAIVSSFLMKGMATGLKRQGPYVPSAQLQVLMTET-

General information: TITO was launched using: RESULT: Template: 4NRH.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 : 207 -19510 -94.25 -260.13 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -94.25 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.141

(partial model without unconserved sides chains): PDB file : Tito_4NRH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NRH-query.scw PDB file : Tito_Scwrl_4NRH.pdb: