Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHTILLVQPTKRPEGRTYADYESVNECMEGVCKMYEEHLKRMNPNSPSITYDISQLFDFIDDLADLSCLVYRADTQTYQPYNKDWIKEKIYVLLRRQAQQAGK 2X6K Chain:A ((326-386)) -------------------------------VLKMFLKVLENGNFNLRGIFYNLRKQRRFIDELVKLVKLVAK------EPGNRNKKTEKFQKLLAEQ------

General information: TITO was launched using: RESULT: Template: 2X6K.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 : 68 -8455 -124.34 -138.61 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -124.34 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.292

(partial model without unconserved sides chains): PDB file : Tito_2X6K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X6K-query.scw PDB file : Tito_Scwrl_2X6K.pdb: