Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRHYEAVVIGGGIIGSAIAYYLAKENK-NTALFESGTMGGRTTSAAAGMLGAHAECEERDAFFDFAMHSQRLYKGLGEELYALSGVDIRQHNGGMFKLAFSEEDVLQLRQMDD------LDSVSWYSKEEVLEKEPYASG-DIFGASFIQDDVHVEPYFVCKAYVKAAKMLGAEIFEHTPVLHVERDG-EALFIKTPSGDVWANHVVVASGVWSGMFFKQLGLNNAFLPVKGECLSVWNDDI-P-LT-K-TLYH---DHCYIVPRKSGRLVVGATMKPG---------------DWS---ETPDLGGLESVMKKAKTMLPAIQNMKVDRFWAGLRPGTKDGKPYIGRHPEDSRILFAAGHFRNGILLAPATGALISDLIMNKEVNQDWLHAFRIDRKEAVQI 4PAB Chain:A ((42-430)) -KDRAETVIIGGGCVGVSLAYHLAKAGMRDVVLLEKSELTAGSTWHAAGLTTYF--HP-GINLKKIHYDSIKLYERLEEET----GQVVGFHQPGSIRLATTPERVDEFKYQMTRTNWHATEQ-YIIEPEKIHELFPLLNMDKILAGLYNPGDGHIDPYSLTMALATGARKYGVLLKYPAPVTSLKPRPDGTWDVETPQGSVRANRIVNAAGFWAREVGKMIGLDHPLIPVQHQYVVTSTIPEVKALKRELPVLRDLEGSYYLRQERDG-LLFGPYESQEKMKLQASWVAHGVPPGFGKELFESDLDRITEHVEAAMEMVPVLKKADIINIVNGPITYSPDILPMVGPHQGVRNYWVAIGF-GYGIIHAGGVGKYLSDWILHGE-PPFDLIELDPNRYGKW--

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 : 2127 -236741 -111.30 -666.88 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -111.30 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.592

(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: