Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASFEFIEDELNDGNGQARFTVFGVGGGGGNAVQHMVQSDIQGVKFVCANTDKQALDCMNAPFKIQLGEQSTRGLGAGANPEVGQVAAEESREIIRQHLEGTDMVFVTAGMGGGTGTGAAPVVAEVAKEMGILTVGVVTTPFNFEGRRRQKSAERGIEALEAHVDSLIIIPNQRLLSVYGD--ISMKDAYKKADDVLLNAVRSIFDLVVNRGHINLDFADLKTAMSTRGYAMMGAGLGRGEDRARQAAEQAIRSPLLDNVNIINAKGVLINITGGDDITLRETEIITDVVNQIVDLDEGEIFYGTVFDPDARDELRVTVIATGLTRNAADAEPRTRNTVSHTSTQSVDEDDVPAINKRQNAENDVNNAPSSTPRSSPMSIQDYLKNQQRK 2Q1Y Chain:A ((22-312)) ------------------------------NAVNRMIEQGLKGVEFIAINTDAQALLMSDADVKLDVGRDSTRGLGAGADPEVGRKAAEDAKDEIEELLRGADMVFVTAGEGGGTGTGGAPVVASIARKLGALTVGVVTRPFSFEGKRRSNQAENGIAALRESCDTLIVIPNDRLLQM-GDAAVSLMDAFRSADEVLLNGVQGITDLITTPGLINVDFADVKGIMSGAGTALMGIGSARGEGRSLKAAEIAINSPLLE-ASMEGAQGVLMSIAGGSDLGLFEINEAASLVQDAAHPD-ANIIFGTVIDDSLGDEVRVTVIAAGF------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Q1Y.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 : 1677 -62964 -37.55 -217.87 target 2D structure prediction score : 0.82 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -37.55 2D Compatibility (Sec. Struct. Predict.) : 0.82 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_2Q1Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Q1Y-query.scw PDB file : Tito_Scwrl_2Q1Y.pdb: