Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASFEFIEDELNDGNGQARFTVFGVGGGGGNAVQHMVQSDIQGVKFVCANTDKQALDCMNAPFKIQLGEQSTRGLGAGANPEVGQVAAEESREIIRQHLEGTDMVFVTAGMGGGTGTGAAPVVAEVAKEMGILTVGVVTTPFNFEGRRRQKSAERGIEALEAHVDSLIIIPNQRLLSVYG-DISMKDAYKKADDVLLNAVRSIFDLVVNRGHINLDFADLKTAMSTRGYAMMGAGLGRGEDRARQAAEQAIRSPLLDNVNIINAKGVLINITGGDDITLRETEIITDVVNQIVDLDEGEIFYGTVFDPDARDELRVTVIATGLTRNAADAEPRTRNTVSHTSTQSVDEDDVPAINKRQNAENDVNNAPSSTPRSSPMSIQDYLKNQQRK 3WGL Chain:B ((13-316)) ----------------LATLKVIGVGGGGNNAVNRMIDHGMNNVEFIAINTDGQALNLSKAESKIQIGEKLTRGLGAGANPEIGKKAAEESREQIEDAIQGADMVFVTSGMGGGTGTGAAPVVAKIAKEMGALTVGVVTRPFSFEGRKRQTQAAAGVEAMKAAVDTLIVIPNDRLLDIVDKSTPMMEAFKEADNVLRQGVQGISDLIAVG--ANLDFADVKTIMSNQGSALMGIGVSSGENRAVEAAKKAISSPLLE-TSIVGAQGVLMNITGGESLSLFEAQEAADIVQDAADE-DVNMIFGTVINPELQDEIVVTVIATGFD-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WGL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1934 -122218 -63.19 -403.36 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -63.19 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.607

(partial model without unconserved sides chains): PDB file : Tito_3WGL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WGL-query.scw PDB file : Tito_Scwrl_3WGL.pdb: