Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTRHFSQLPKAALAYPKVVQGLIFKKPKGPKILPQVEYVVDTLEIDQNHLKAYNEVCGFQNNGFVPAIYLAVLSQSLQMHMMTAEAFPFPILGLVHIRNQIKQTRPIGVTEKLTLSCKLGELKPHDKGVQFDFITTAKVGNEVV-MEGLTTYLSRQKVEKRVGEKA-KEEQAPAYVPKAEWNILENTGRRYAKVSGDFNLIHIHAITAKAFGFKQAIAHGMWSKAKALANLE--LPNAYEADVWFKLPMFLPSKVEFLTANADKKTDFLIRNAKSQKPHVAGTVKAL 4OOB Chain:A ((11-260)) -------------------------------------TVTVEELPIDPANVAAYAAVTGLRYGNQVPLTYPFALTFPSVMSLVTGFDFPFAAMGAIHTENHITQYRPIAVTDAVGVRVRAENLREHRRGLLVDLVTNVS-VGNDVAWHQVTTFLHQQRTSLSGEPKPPPQK----PPPAAVLRITPAKIRRYAAVGGDHNPIHTNPIAAKLFGFPTVIAHGMFTAAAVLANIEARFPDAVRYSVRFAKPVLLPATAGLYVAEGDGGWDLTLRNM-KGYPHLTATVRGL

General information: TITO was launched using: RESULT: Template: 4OOB.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 : 1292 -88305 -68.35 -366.41 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -68.35 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.335

(partial model without unconserved sides chains): PDB file : Tito_4OOB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OOB-query.scw PDB file : Tito_Scwrl_4OOB.pdb: