Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQHKTVLLRETVDGLNIKPDGTYVDCTLGGAGHSTYLLQQLSEKGRLIAFDQDDTALQHAKEVLSDYK-GQLILIKSNFRYLKEYLNEQGVTEVDGILFDLGVSSPQLDTPERGFSYHHDAPLDMRMDQSATLSAKEVVNEWRYEDLVRIFFKYGEEKFSKQIARKIEEARMKSPIQTTGQLVDLIKDAIPAPARRSGGHPAKRVFQAIRIAVNDELRVFEEALEQAIEVLKPGGRVSVITFHSLEDRICKTTFKEKSSLPELPPGLPVIPEEFEPELKLITRKPITASQEELEENNRARSAKLRIAEKRK 2YXL Chain:A ((254-343)) --------------VLDPKPGETVVDLAAAPGGKTTHLAELMKNKGKIYAFDVDKMRMKRLKDFVKRMGIKIVKPLVKDARKAPEIIGE---EVADKVLLDAPCTSS-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2YXL.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 : 396 -36778 -92.87 -413.24 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -92.87 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.635

(partial model without unconserved sides chains): PDB file : Tito_2YXL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YXL-query.scw PDB file : Tito_Scwrl_2YXL.pdb: