Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEFMKKFSLTKPIIQAPMAGGITKPRLASAVSNQGALGSLASGYLTPDLLEQQIKEIFELTDAPFQINVFVPLGLEMPPKDQIKK--WKENIPLANQVNQFTSVQEEWDDFYQKIDLILKYKVKACSFTFDLPPEDAVKELKTAGCCLIGTASTVEEALLMEERGMDIVVLQGSEAGGHRGAFLPSKGESAVGLMALIPQAADALSVPVIAAGGMIDHRGVKAALTLGAQGVQIGSAFLICHESNAHPVHKQKILEANEADTKLTTLFSGKEARGIVNKWMEENEQFETQTLPYPYQNTLTKAMRQKASLQNNHDQMSLWAGQGIRSLTEEISVKQLLNQLCQEDIKI 4IQL Chain:B ((21-242)) MNRICELLGIEHPIISGGMVW-CSGWKLASAVSNCGGLGLIGAGSMHPDNLEHHIRSCKAATDKPFGVNV--PL--LYPEMDKIMEIIMREHVPVV--------------------------------VTSAGSPKVWTAKLKAAGSKVIHVVSSATFARKSEAAGVDAIVAEGFEAGGH-------NGREETTTLCLIPEVVDAVNIPVVAAGGIASGRAVAAALALGADAVQVGTRFALSEESSAHEDFKAHCRRSVEGDTMLS-----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4IQL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1309 -68355 -52.22 -310.70 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -52.22 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_4IQL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IQL-query.scw PDB file : Tito_Scwrl_4IQL.pdb: