Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASFEFIEDELNDGNGQARFTVFGVGGGGGNAVQHMVQSDIQGVKFVCANTDKQALDCMNAPFKIQLGEQSTRGLGAGANPEVGQVAAEESREIIRQHLEGTDMVFVTAGMGGGTGTGAAPVVAEVAKEMGILTVGVVTTPFNFEGRRRQKSAERGIEALEAHVDSLIIIPNQRLLSVY-GDISMKDAYKKADDVLLNAVRSIFDLVVNRGHINLDFADLKTAMSTRGYAMMGAGLGRGEDRARQAAEQAIRSPLLDNVNIINAKGVLINITGGDDITLRETEIITDVVNQIVDLDEGEIFYGTVFDPDARDELRVTVIATGLTRNAADAEPRTRNTVSHTSTQSVDEDDVPAINKRQNAENDVNNAPSSTPRSSPMSIQDYLKNQQRK 3WGN Chain:A ((32-317)) -----------------------------------MIDHGMNNVEFIAINTDGQALNLSKAESKIQIGEKLTRGLGAGANPEIGKKAAEESREQIEDAIQGADMVFVTSGMGGGTGTGAAPVVAKIAKEMGALTVGVVTRPFSFEGRKRQTQAAAGVEAMKAAVDTLIVIPNDRLLDIVDKSTPMMEAFKEADNVLRQGVQGISDLIAVSGEVNLDFADVKTIMSNQGSALMGIGVSSGENRAVEAAKKAISSPLLET-SIVGAQGVLMNITGGESLSLFEAQEAADIVQDAADEDVNMIF-GTVINPELQDEIVVTVIATGF------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WGN.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 : 1579 -78912 -49.98 -276.88 target 2D structure prediction score : 0.80 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -49.98 2D Compatibility (Sec. Struct. Predict.) : 0.80 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3WGN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WGN-query.scw PDB file : Tito_Scwrl_3WGN.pdb: