Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIIGRFKDIMSANINALLDKAENP--EKMVDQYLRNMN---------SDLAKVKAETAAVMAEEQRAKR---------EYHEC--------------QADMEKMESYAMKALQAGNESDARKFLERKTSLESKLSELQAANQIAATNAAQMRKMHDKLVSDIGELEARKNMIKAKWAVAKTQERMNKLGASVSSTSQS----MSAFGRMEDKVNKALDQANAMAELNSAPQDDMADLSAKYDTGGSSQVDDELAALKAKMMLDK 4BND Chain:A ((1-252)) -----KMKKILSFDIDNTLNEPKMPIFPEMAELLATLSQKYIIAPISGQKYDQFLIQIINNLPESANLDNFHLFVAQGTQYYAHKAGEWKQVFNYALTDEQANAIMGALEKAAKELGHWDESVLLPGDEINENRES------MIAYSAIGQKAGVEAKQAWD--PDMTKRNEIAKLASQYAPEFEFEVAGTTTINGFVPGQNKEFGMNHLMEELNVTKEEILYFGDMTQPGGNDYPVVQMGIETITVRDWKETAAILKAIIAMEE

General information: TITO was launched using: RESULT: Template: 4BND.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 : 969 10536 10.87 49.23 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 10.87 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.152

(partial model without unconserved sides chains): PDB file : Tito_4BND.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BND-query.scw PDB file : Tito_Scwrl_4BND.pdb: