Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFEKIRKWLEITNEYKQSDFWTNVLKYKAPEHFFDSEASTFVYDFYQDEEYNFIIVEMPGVYEEELTIRLLSKTQLLIKGTITPVFPAEME---VLRERYYGEIERIIQLPEAAETHLLQIQLLNGLLHISYPRQVETVAFNKGL- 1SHS Chain:A ((33-147)) -------TGIQISGKGFMP------------------------ISIIEGDQHIKVIAWLPGVNKEDIILNAV-GDTLEIRAKRSPLMITESERIIYSEIPEEEEIYRTIKLPATVKEENASAKFENGVLSVILPKAESSIKKGINIE

General information: TITO was launched using: RESULT: Template: 1SHS.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 : 446 -51042 -114.44 -459.83 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -114.44 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.219

(partial model without unconserved sides chains): PDB file : Tito_1SHS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SHS-query.scw PDB file : Tito_Scwrl_1SHS.pdb: