Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQACIAIIIILLTVAAYLAMVKLYKRFPLPFLIPVLTTTILIVAALMMFHVSYEGYMIGGKWINSLLGPAVVALAYPLYKQWHIIVKHCVPILGGVLVGLCMGMISGLIFAEAFGIDHDLLLSILPKSITTPVAIQIAAGLGGVPSMTVVFVMIAGFSGVILGPLFLK-WLRIRSSL------GQGIA----LGSASH--------ALGTSKALEYGELAVSMSSVSMTLCAVLGSFFGPLVVWLFHI 2W36 Chain:A ((76-144)) -----------------------------------------------------------------------------------------------------------------------------------------------------ITFPYIPGLLAFREGPLFLKAWEKLRTKPDVVVFDGQGLAHPRKLGIASHMGLFIEIPTIGVAKSRLYG-------------------------------

General information: TITO was launched using: RESULT: Template: 2W36.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 : 118 -11192 -94.85 -223.84 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.42 3D Compatibility (PKB) : -94.85 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.42 QMean score : 0.085

(partial model without unconserved sides chains): PDB file : Tito_2W36.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W36-query.scw PDB file : Tito_Scwrl_2W36.pdb: