Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDALVLRDLSKTYRNGFQALKGINLTVPEGEFYALLGPNGAGKSTTIGIISSLTKKTSGTVEIFGHNLDTHPS-----LAKQQLGVVPQEFNFGQFE-KAFDILVTQAGYYGIHRKIAEKRAEHYLEKLGLWEKRNIQARMLSGGMKRRLMIARAMMHEPKLLILDEPTAGVDIELRRSMWDFLTEMNENGTSIILTTHYLEEAEMLCRQIAIIDRGVIKEDTSMKSFLNQLSEESFIFDLAEPIAPLQLNIIGVKFNLIDGSTLEVTMDKAHTLNDLFQLLESQGIRVRSMRNKSNRLEELFVKMVEKNLEGAAK 2PCL Chain:A ((2-224)) -AEILRAENIKKVIR-GYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQ-FHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERELAELTHRTLEMKDGKVVGEITRV-------------------------------------------------------------------------------------------

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 : 1118 -9377 -8.39 -43.21 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -8.39 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.474

(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: