Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAGNSIGQLFRVTTCGESHGVGLMAIVDGVPPGLALTEEDLQKDLDRRKPGTSKFATQRKEPDQVEIISGVFEGKTTGTPIGLLIRNTDQKSKDYGNIAQTFRPGHADYTYTQKYGFRDYRGGGRSSARETAMRVAAGAIAKKYLAEKFGILIRGHVTQIGNEVAEKLDWNEVPNNPFFCGDVDAVPRFEALVKSLREQGTSCGAKLEILAEKVPVGWGEPVFDRLDADIAHAMMSINAVKGVEIGDGFAVAGQFGHETRDELTSHGFLANHAGGILGGISSGQTIRVAIALKPTASITTPGKTINLNREDTDVLTKGRHDPCVGVRATPIAEAMLAIVLMDHFLRHRAQNADVVPPFVPIEP 4OB9 Chain:B ((1-363)) MAGNSIGQLFRVTTCGESHGVGLMAIVDGVPPGLALTEEDLQKDLDRRKPGTSKFATQRKEPDQVEIISGVFEGKTTGTPIGLLIRNTDQK------------------------------GGGRSSARETAMRVAAGAIAKKYLAEKFGVLIRGHVTQIGNEVAEKLDWNEVPNNPFFCGDVDAVPRFEALVTSLREQGTSCGAKLEILAEKVPVGWGEPVFDRLDADIAHAMMSINAVKGVEIGDGFAVAGQFGHETRDELTSHGFLANHAGGILGGISSGQTIRVAIALKPTA--------------------KGRHDPCVGVRATPIAEAMLAIVLMDHFLRHRAQNADVVPPFAPIEP

General information: TITO was launched using: RESULT: Template: 4OB9.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 : 1571 -147710 -94.02 -471.92 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.94 3D Compatibility (PKB) : -94.02 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.518

(partial model without unconserved sides chains): PDB file : Tito_4OB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OB9-query.scw PDB file : Tito_Scwrl_4OB9.pdb: