Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEIEMFCELLS-LLGLKVVPKDYQSIDKERVAALL---VMSKSWMNRIETVD--DLFHDEISCQKEKLGY 4BPT Chain:D ((63-123)) --QLPEVSERLKAKTGWQVAPVAALISAREFFELLAEKYFPAATFIRSEEELDYPDIFHE-----------

General information: TITO was launched using: RESULT: Template: 4BPT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 104 -11785 -113.32 -226.63 target 2D structure prediction score : 0.31 Monomeric hydrophicity matching model chain D : 0.67 3D Compatibility (PKB) : -113.32 2D Compatibility (Sec. Struct. Predict.) : 0.31 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.176

(partial model without unconserved sides chains): PDB file : Tito_4BPT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BPT-query.scw PDB file : Tito_Scwrl_4BPT.pdb: