Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTHTAVANVKLNWTYFCLILASTFLQGSSFVATKILLSSMSPLWVATIRFFIAALSLLPLIIYRYFKNPISLFNIPWLKLFVIGLFQTAGVMAFLNIGLGYTSPSTAAILMASNPLLVVILAMLILGERISIRALVGLIVAFIGVVICIGLGNTNSGGIGRGEVLVILASSCWAIATIINKKFNLHLDPWVITFWQMLLGSLVLFLVALFSQQPFTLPTTESMWLTFLWLAIPASTGAMGLWFAALKIGGAIHTSGFLFLCPLFSAIITYFVLGTVLTSQELIGGFLIGTGIYVLSRYR 4GG2 Chain:A ((28-80)) --------------------------------------------------------------------------------------------------------------------------------RDALRDGGSAVDAAIAALLCVGLMNAHSMGIGGGLFLTIYNSTTRK-AEVINAR---------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GG2.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 : 113 -17614 -155.87 -332.33 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.39 3D Compatibility (PKB) : -155.87 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.39 QMean score : 0.279

(partial model without unconserved sides chains): PDB file : Tito_4GG2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GG2-query.scw PDB file : Tito_Scwrl_4GG2.pdb: