Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERYDELKKGESGALVSIAAYLVLSAIKLIIGYLFHSEALTADGLNNTTDIIASVAVLIGLRISQKPPDEDHPYGHFRAETIASLIASFIMMVVGLQVLFSAGESIFSAKQETPDMIAAWTAAGGAVLMLIVYRYNKRLAKKVKSQALLAAAADNKSDAFVSIGTFIGIVAAQFHLAWIDTVTAFVIGLLICKTAWDIFKESSHSLTDGFDIKDISAYKQTIEKISGVSRLKDIKARYLGSTVHVDVVVEVSADLNITESHDIANEIERRMKEEHAIDYSHVHMEPLEQK 3W5Z Chain:A ((16-61)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ERVPGVRGVIHLRARYVGQDIWAAMIIGVDPENTVEQAHEICEAVQ----------------------

General information: TITO was launched using: RESULT: Template: 3W5Z.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 : 107 -19933 -186.29 -433.32 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -186.29 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_3W5Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W5Z-query.scw PDB file : Tito_Scwrl_3W5Z.pdb: