Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLIQLYLLKLELFWFELHQHYHFSEPQKILNELIAAYSAAYSEKQRAYHTVQHLYECLSLIETVQSE--------LNDPYAVALALWFHDVVYEPQA------------------LDNELKSAELFEQLMAQ-DL------QL----DTMQKIKRWILATQKHAPT-----------------------------DETDLQFLLDIDLAILAATPERFMQYEQQIQQEYSWADPEVYSIKRKEVLMNFYQSEPLYQTAYFQKNFELNAKQNLKKILE 3GWT Chain:A ((77-266)) ----------------------------------------YHS-DVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHCDIFMNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWTDRIMEEFFQ----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GWT.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 : 405 -762 -1.88 -6.15 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -1.88 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_3GWT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GWT-query.scw PDB file : Tito_Scwrl_3GWT.pdb: