Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVVAQQLGQWAEQTALKLLKEQNYEWVASNYHSRRGEVDLIVKR-GNELIFVEVKARGQGNYGQACEMVTLSKQKKIIKTAMRFLQRYPSYQDFYCRFDVICFDFPQKIAKTVQQDFSKFHYDLQWIENAFTLD 4QBN Chain:B ((7-53)) ----------VQKYAKERFEALGGLVRKLSYEGRSGAPDLLVILPRGVIWFVEVKKD-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QBN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 118 -10637 -90.14 -231.23 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : -90.14 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.758

(partial model without unconserved sides chains): PDB file : Tito_4QBN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QBN-query.scw PDB file : Tito_Scwrl_4QBN.pdb: