Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVKMKKCSREDLQTLQQLSIETFNDTFKEQNSPENMKAYLESAFNTEQLEKELSNMSSQFFFIYFDHEIAGYVKVNIDDAQSEEMGAESLEIERIYIKNSFQKHGLGKHLLNKAIEIALERNKKNIWLGVWEKNENAIAFYKKMGFVQTGAHSFYMGDEEQTDLIMAKTLI 4UA3 Chain:A ((99-162)) ------------------------------------------------------------------------------------EAGLTCLYIYEIQLDEHIRGRNVGKWLLKNASILAYRRNLKYIFLTVFSANLNALNFYHHFDFV------------------------

General information: TITO was launched using: RESULT: Template: 4UA3.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 : 143 -41025 -286.89 -641.02 target 2D structure prediction score : 0.81 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -286.89 2D Compatibility (Sec. Struct. Predict.) : 0.81 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.767

(partial model without unconserved sides chains): PDB file : Tito_4UA3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UA3-query.scw PDB file : Tito_Scwrl_4UA3.pdb: