Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLKMLSMLTVMIASLFIFSSQALAVQYFTVSTSSGAPVNMRSGPGTNYPIMLSIPSGSRVPYYCYAYGTTVTGKYGTS-NIWDQIQW--KDSRGVVNIGYVSDTYVYTGSDGPVGYKCN 2HBW Chain:A ((21-77)) ------------------------------------LAALNLYDSPECTS-LATQAAVGRHLQVT------------SNQQGAAVEVCLCEDDYPGWLSLGDLGLL---------------

General information: TITO was launched using: RESULT: Template: 2HBW.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 : 216 -12455 -57.66 -230.65 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -57.66 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.217

(partial model without unconserved sides chains): PDB file : Tito_2HBW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HBW-query.scw PDB file : Tito_Scwrl_2HBW.pdb: