Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAHVPSGPDELTPEWLSRALGAEVTSVSWERVGSGQIGACYRLTLKGEEKVPARLVAKMASEDPTTRAF-LASAYRTEVLFYRDVVPTVAVR---TPRCHYQAIADDNSAFVLLL------EDMAPAEQGDQLAGCTPQQAAAAVTNLAGLHGPRWCDKTLTEIPWLSVVTEDDAAVLTEVFAPAVDAFVQRFTGRLSDEDIDTLRRVADRIAAWAVARPERFGLVHGDYRLDNL------LFAPPPQQTVTAVDW----QTLSIGHPVRDLSFF-LGTAMDPAERSAHERALVETYH-----TALTGYGVDDYDLQSCWEDYRFGALQGPLITVLGCAVGTPTERGD---RMFLAMTRRSCAAIRELGSLELI- 5CXB Chain:B ((1-369)) ------PSPDELKPF-------PTVQQTIF----RGHEGRVRSVAID-----PTGVALATGGDDGTVRVWELLTGRQVWSVKLNGDEAVNTVRWRPTKDTFILAAAAGEDIFLMIPTHPSVTPALDQASRDILNAGFPPGKWARPGTRLED-EGVLLRITVRSTIKAISWHRRGDHFATVSPSGQRSSVAIHTLSKHLTQIPFRKLNGLAQTASFHPL-RPLFFVATQRSIRCYDLQKLELVKIVQPGAKWISSFDVHPGGDNLVVGSYDKRLLWHDLDLSNRPYKTMRFHTEAIRAVRFHKGGLPLFADASDDGSLQIFHGKVPNDQLENPTIVPVKMLKGHKVVNKLGVLDIDWHPREPWCVSAGADGTARLWM

General information: TITO was launched using: RESULT: Template: 5CXB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1815 8797 4.85 27.32 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 4.85 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.134

(partial model without unconserved sides chains): PDB file : Tito_5CXB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5cxb-query.scw PDB file : Tito_Scwrl_5CXB.pdb: