Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLSKKTIIALVVAAIALILAICVFVWKKPQSSSSSQENSASTQDHPVEKAEVLPYLNLTETKANYAVPFCEKKNCIDVDIQTIKTQ-------DAWLNSWIEKNQAKVIQAQINLKKDLSLQQAINAYVKKSDEWQDKYSKNRAYELHIRTRIASQRNQYVLLQLALDSKQEEITIKDRYYFFVADRKLHKNLTLFDVLKKDQQPTVHQIVQTAYQDWLKKQTADVKKQAPKTLYWGQADWFFDGEGVGLHYQANQITKDA-PQLDIYLTTEQTKKILQPQVYEQMF 3CYG Chain:A ((49-245)) ------------------------------------------------------------------------ENEIVRIHVELPRLKYLKDSNFEEKFNSEVEEKIKKF----------------VNEVKGIAQEDHDKDVQHTPYEAYVSVDVRYEGKDFLSFVVYYYQFTGGAHGITFFETYNIDLKNSKVLKLYDIIKEEAEDTIKSNILKQIEQNNTDFFPDAPMNILKDDI-FSREFTISKDGLIIMYPHYDLAPYASGMPEFVIPWNVIEKFLKYDILSL--

General information: TITO was launched using: RESULT: Template: 3CYG.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 : 769 27433 35.67 145.15 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 35.67 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_3CYG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CYG-query.scw PDB file : Tito_Scwrl_3CYG.pdb: