Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQHKTVLLRETVDGLNIKPDGTYVDCTLGGAGHSTYLLQQLSEKGRLIAFDQDDTALQHAKEVLSDYK-GQLILIKSNFRYLKEYLNEQGVTEVDGILFDLGVSSPQLDTPERGFSYHHDAPLDMRMDQSATLSAKEVVNEWRYEDLVRIFFKYGEEKFSKQIARKIEEARMKSPIQTTGQLVDLIKDAIPAPARRSGGHPAKRVFQAIRIAVNDELRVFEEALEQAIEVLKPGGRVSVITFHSLEDRICKTTFKEKSSLPELPPGLPVIPEEFEPELKLITRKPITASQEELEENNRARSAKLRIAEKRK 1XXL Chain:A ((9-109)) -------SLGLMIKTAECRAEHRVLDIGAGAGHTALAFSPYV---QECIGVDATKEMVEVASSFAQEKGVENVRFQQGTAESLP--FPD---DSFDIITCRY--AAHHFSDVRKAVRE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1XXL.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 : 458 -56516 -123.40 -565.16 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -123.40 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.640

(partial model without unconserved sides chains): PDB file : Tito_1XXL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XXL-query.scw PDB file : Tito_Scwrl_1XXL.pdb: