Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAVNFNMRLEAELKEQVTPILEDYGLTMPQAFKLFLNQIVKTKAIPLSFDYARETALTPKAAAKLLQSLKEIENGEYTEYETVEEAIKAMSEEAHG 5HSL Chain:A ((36-96)) --------RVGAVLRPEVSAALSPLGLTLPE-F-VCLRMLSQSPGLS-SAELARHASVTPQAMNTVLRKLED-------------------------

General information: TITO was launched using: RESULT: Template: 5HSL.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 : 153 -28248 -184.62 -463.07 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -184.62 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.885

(partial model without unconserved sides chains): PDB file : Tito_5HSL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HSL-query.scw PDB file : Tito_Scwrl_5HSL.pdb: