Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASFEFIEDELNDGNGQARFTVFGVGGGGGNAVQHMVQSDIQGVKFVCANTDKQALDCMNAPFKIQLGEQSTRGLGAGANPEVGQVAAEESREIIRQHLEGTDMVFVTAGMGGGTGTGAAPVVAEVAKEMGILTVGVVTTPFNFEGRRRQKSAERGIEALEAHVDSLIIIPNQRLLSVYG-DISMKDAYKKADDVLLNAVRSIFDLVVNRGHINLDFADLKTAMSTRGYAMMGAGLGRGEDRARQAAEQAIRSPLLDNVNIINAKGVLINITGGDDITLRETEIITDVVNQIVDLDEGEIFYGTVFDPDARDELRVTVIATGLTRNAADAEPRTRNTVSHTSTQSVDEDDVPAINKRQNAENDVNNAPSSTPRSSPMSIQDYLKNQQRK 4E6E Chain:A ((5-313)) ------------PQNYLAVIKVVGIGGGGVNAVNRMIEEGLKGVEFIAINTDAQALLMSDADVKLDVGRELTR----GANPDVGRKAAEDHREEIEEVLKGADMVFVTAGEGGGTGTGGAPVVANIARSLGALTIGVVTRPFSFEGKRRATQAEAGIAMLREEVDTLIVIPNDRLL---DRQVSVLDAFKAADQVLLSGVQGITDLITTPGLINLDFADVKSVMSGAGSALMGIGSARGDDRAVAAAEMAISSPLLE-ASIDGAHGVLLSIQGGSDLGLFEINEAAQLVANSAAA-EANIIFGAVIDDALGDEVRVTVIAAGF------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4E6E.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 : 1847 -150155 -81.30 -498.85 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -81.30 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.636

(partial model without unconserved sides chains): PDB file : Tito_4E6E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E6E-query.scw PDB file : Tito_Scwrl_4E6E.pdb: