Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFHLLGAQQNQKLKRRRFFCPVCGGELAVKLGLQKAPHFAHKQNKSCAIDIEPESAYHLEGKRQLYVWLKTQRASPILEPYIRTINQRPDVMARIKEHMLAVEYQCATIAPDVFQKRTEGFKQEGIIPQWIMGYSRLKRTASSFYQLSTFHWQFINASPYRELICYCPERRSFLRLSHIIPFYTNHSYSSVQTIPIHRAGAGDLFFTEPKPSIQYSGWTKAIHRFRHKPHRFNSKETNRLRLLFYEKRQTPFSFLPTEVFVPVRKGAVFKSPVFVWQGFLYLFMTDLGGKRAPIRFSAVLQQCKLHIHNKNIALRSECSEECLSEAVKQYIDFLCKKGFLRETQKEVYVLNQPAGGIHSMQDLIERDRSCFIE 3WWL Chain:A ((2-16)) ----------------VGTCPECGAELRLEN------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WWL.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 : 16 -1693 -105.78 -112.83 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -105.78 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.930

(partial model without unconserved sides chains): PDB file : Tito_3WWL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WWL-query.scw PDB file : Tito_Scwrl_3WWL.pdb: