Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSAVVVSSENLDGQQQSSSTPASPAAEKVNLLGMSRAELEKFFEDIGEKKFRAGQVMKWIHQYFVTDFAEMTNISGKLRAKLEQICEIKAPEVVHRHYSKDGTRKWVFRVGEGSGSLVETVLIPAEDKTGSRKTLCISSQVGCALDCSFCSTGKQGFQRDLTPDEIIGQLWMANYSYMEEVPVAERERSVTNVVMMGMGEPLLN----YDAVLSSMHIMLDDFAYGMSKRRVTLSTSGVVP--KIDQLAKDIDV-ALAISLHAPNDELRNELVPINKKYPLAQLIAACQRYIAKDGNESARKHVTIEYVMLEGVNDQPEHAQQLLKLLKNLP-SKINLIP-FNPFP-HAPYG-RSSRNRIISFQKTLSDAGFVCTIRQTRGDDIDAACGQLVGQVADRTRRAEQWQKKVAQRQEILRTQG 5EXK Chain:A ((91-320)) -------------------------------------------------------------------------------------------------------------------------------------EATFLIGGDQCTRRCDFCQIDTGK-PAELDRDEPRRVADSVRT------------MGLRYATVTG-VARDDLPDGGAWLYAATVRAIKEL-NP---STGVELLIPDFNGEPTRLAEVFESGPEVLAHNVETV-PRIFKRIRP---AFTYRRSLGVLTAARDA------GLVTKS--NLILGLGETSDEVRTALGDLRDAGCDIVTITQYLRPSARHHPVERWVKPEEFVQFARFAEGLGFAGVLAGPLVRSSYRAGRLYE----------------------------

General information: TITO was launched using: RESULT: Template: 5EXK.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 : 1153 -38091 -33.04 -173.93 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -33.04 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_5EXK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EXK-query.scw PDB file : Tito_Scwrl_5EXK.pdb: