Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVILEANKIRKSYGNKLNKQEVLKGIDIHIEKGEFVSIMGASGSGKTTLLNVLSSIDQVSHGTIHINGNDMTAMKEKQLAEFRKQHLGFIFQDYNLLDTLTVKENILLPLSITKLSKKEANRKFEEVAKELGIYELRDKYPNEISGGQKQRTSAGRAFIHDPSIIFADEPTGALDSKSASDLLNKLSQLNQKRNATIIMVTHDPVAASYCGRVIFIKDGQMYTQLNKGGQDRQTFFQDIMKTQGVLGGVQHEH 2PCL Chain:A ((4-223)) --ILRAENIKKV----IRGYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEG-GTSIVMVTHERELAELTHRTLEMKDGKVVGEITR--------------------------

General information: TITO was launched using: RESULT: Template: 2PCL.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 : 1139 -111503 -97.90 -506.83 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -97.90 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_2PCL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PCL-query.scw PDB file : Tito_Scwrl_2PCL.pdb: