Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKDKEPGSFIVRDSHSFRGAYGLAMKVATPPPSVLQLNKKAGDLANELVRHFLIECTPKGVRLKGCS----NEPYFGSLTALVCQH 2BBU Chain:A ((38-106)) LLSAEPAGTFLIRDSSDQRHFFTLSVKTQ------------------SGTKNLRIQCEGGSFSLQSDPRSTQPVPRFDCVLKLVHHY

General information: TITO was launched using: RESULT: Template: 2BBU.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 : 176 -20521 -116.60 -315.71 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -116.60 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.153

(partial model without unconserved sides chains): PDB file : Tito_2BBU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BBU-query.scw PDB file : Tito_Scwrl_2BBU.pdb: