Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFHLLGAQQNQKLKRRRFFCPVCGGELAVKLGLQKAPHFAHKQNKSCAIDIEPESAYHLEGKRQLYVWLKTQRASPILEPYIRTI-----NQRPDVMARIKEHMLAVEYQCATI---------APDVFQKRTEGFKQEGIIPQWIMGYSRLKRTASSFYQLSTFHWQFINASPYRELICYCPERRSFLRLSHIIPFYTNHSYSSVQTIPIHRAGAGDLFFTEPKPSIQYSGWTKAIHRFRHKPHRFNSKETNRLRLLFYEKRQTPFSFLPTEVFVPVRKGAVFKSPVFVWQGFLYLFMTDLGGKRAPIRFSAVLQQCKLHIHNKNIALRSECSEECLSEAVKQYIDFLCKKGFLRETQKEVYVLNQPAGGIHSMQDLIERDRSCFIE 3NEY Chain:A ((104-195)) -------------------------------------HQIHKQNKIAILDIEPQT-------------LKIVRTAE-LSPFIVFIAPTDQGTQTEALQQLQKDSEAIRSQYAHYFDLSLVNNGVDETLKKLQEAFDQACSSPQ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NEY.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 : 114 -16916 -148.39 -216.87 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -148.39 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.317

(partial model without unconserved sides chains): PDB file : Tito_3NEY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NEY-query.scw PDB file : Tito_Scwrl_3NEY.pdb: