Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRHYEAVVIGGGIIGSAIAYYLAKEN-KNTALFESGTMGGRTTSAAAGMLGA-HAECEERDAFFDFAMHSQRLYKGLGEELYALSGVDIRQHNGGMFKLAFSEEDVLQLRQMDDLDSVSWYSKEE-VLEKE------PYASGD-IFGASFIQDDVHVEPYFVCKAYVKAAKMLGAEIFEHTPVLHVERDGEALF-IKTPSGDVWANHVVVASGVWSGMFFKQLGLNNAFLPVKGECLSVWNDDIPLTKTLYHD---------HCYIVPRKSGRLV---------------VGATMKPGDWSE--TPDLGGLESVMKKAKTMLPAIQNMKVDRFWAGLRPGTKDGKPYIGRHPEDSRILFAAGHFRNGILLAPATGALISDLIMNKEVNQDWLHAFRIDRKEAVQI 4PAB Chain:A ((42-414)) -KDRAETVIIGGGCVGVSLAYHLAKAGMRDVVLLEKSELTAGSTWHAAGLTTYFHPGINLKKIHYD----SIKLYERLEEETGQVVGF----HQPGSIRLATTPERVDEFKY--QMTRTNWHATEQYIIEPEKIHELFPLLNMDKILAGLYNPGDGHIDPYSLTMALATGARKYGVLLKYPAPVTSLKPRPDGTWDVETPQGSVRANRIVNAAGFWAREVGKMIGLDHPLIPVQHQY--VVTSTIPEVKALKRELPVLRDLEGSYYLRQERDGLLFGPYESQEKMKLQASWVAHGVPPGFGKELFESDLDRITEHVEAAMEMVPVLKKADIINIVNGPITYSPDILPMVGPH-QGVRNYWVAIGFGYGIIHAGGVGKYLSDWILHGE-------------------

General information: TITO was launched using: RESULT: Template: 4PAB.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 : 1852 -197822 -106.82 -588.75 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -106.82 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_4PAB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PAB-query.scw PDB file : Tito_Scwrl_4PAB.pdb: