Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLQTTNLSKTYYSNKGTISYQALSAFDLSVSKGEFVGIMGPSGSGKTTLLNLLATIDKPTQGEMMINGIQPKTLKDQELALFRRRELGFVFQDFNLLDTLTIRENILLP-LALDKVKLREMEARLDELADTLQIKHILDHRTYEVSGGQQQRAACARAIIHNPALILADEPTGNLDSKSAKQVMNTLAQLNEEKEATILLVTHDATAASFCKRIVFIKDGRFFSEIHRGTNRQVFYQSILDTLSVLGGDFHEFENYRP 2PCJ Chain:A ((16-223)) --------------------GYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPK-KEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKIN-EGGTSIVMVTHERELAELTHRTLEMKDGKVVGEITR------------------------------

General information: TITO was launched using: RESULT: Template: 2PCJ.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 : 991 -47177 -47.61 -227.91 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -47.61 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.556

(partial model without unconserved sides chains): PDB file : Tito_2PCJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PCJ-query.scw PDB file : Tito_Scwrl_2PCJ.pdb: