Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAVDKRFKSLGFNVGIPSLVFVRSLSRDCMLVVEGERVKGFAEYRYTFYKTRYLPDGRMTSLKVYMENQSIKRVLHRVASFLSFLERTKQIEQKECEKVAQ 4OM3 Chain:A ((12-43)) ----------------------------------------------------------------------TIPESLDRIKEEFQFLQAQYHSLKLECEKLAS

General information: TITO was launched using: RESULT: Template: 4OM3.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 : 2 87 43.25 2.70 target 2D structure prediction score : 0.91 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 43.25 2D Compatibility (Sec. Struct. Predict.) : 0.91 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.753

(partial model without unconserved sides chains): PDB file : Tito_4OM3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OM3-query.scw PDB file : Tito_Scwrl_4OM3.pdb: