Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPETMNKTLISISKWGKATGILFIIMGAITALSGAFFFLIGAVPGVLQIISGIFLMRSAREAGQMAEHNSGQSEDLMLENYAKFVKMQGIYLIVSIAVSILAIIAFFIFLMLGIADGLFSDTYSTY 2K21 Chain:A ((45-64)) --------------------------------------------------------------------------------------------------LYVLMVLGFFGFFTLGIMLS---------

General information: TITO was launched using: RESULT: Template: 2K21.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 : 9 -3070 -341.06 -153.48 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : -341.06 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.746

(partial model without unconserved sides chains): PDB file : Tito_2K21.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2K21-query.scw PDB file : Tito_Scwrl_2K21.pdb: