Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHFKNYQISHDILRALEGLGYTEPTKVQQSVIPAALERKDLVVKSQTGSGKTASFGIPLCELANWDE---------NKPQALILTPTRELAVQVKEDITNIGRFKRIKATAVFGKSSFDKQKAELKQKSHIVVGTPGRVLDHIEKGTLPLDRLSYLVIDEADEMLNMGFIEQVEAIIKHL----PTERTTMLFSATLPQDIEKLSRQYMQNPEHIEVKAAGLTTRNIEHAVIQVREENKFSLLKDVLMTENPDSCIIFCRTKEHVNQLTDELDDLGYPCDKIHGGMIQEDRFDVMNEFKRGEYRYLVATDVAARGIDIENISLVINYDLPLEKESYVHRTGRTGRAGNKGKAISFVTAFE-KRFLADIEEYIGFEIQKIEAPSQEEVARKKPEFLAKLNDRPESKKDKSEELNKDIMKLYFNGGKKKKIRAVDFVGTIAKIDGVSADDIGIITIMDNASYVEILNGKGPHVLKVMKNTTVKGKQLKVNKANK 4D25 Chain:A ((50-422)) -ESFETANLRKYVLDNVLKAGYRKPTPIQKNAIPIIMSGRDLMGCAQTGSGKTAAFLVPIINMLLQDPKDLISENGCAQPQVIIVSPTRELTLQIFNEARKFSYGSVLKVAVAYGGTAVRHQGDNIARGCHILVATPGRLHDFVERNRVSFGSVRFVVLDQADCMLDMGFMPSIEKMMLHPTMVETTKRQTLMFSATFPEDIQHLAGRFLNNYLFVAVGIVGGASTDVEQIFIEVTKYEKRNSLKQLIEENDGKRILVFVETKRNADFIAAMLSEQQLLTSSIHGDRMQREREEALQNFKSGKHCILVATAVAARGLDIKNVDIVVNYDLPKSIDEYVHRIGRTGRVGNRGKAVSFYDSDQDLALVADLSKILR-----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4D25.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 : 2104 2910 1.38 8.11 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 1.38 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_4D25.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D25-query.scw PDB file : Tito_Scwrl_4D25.pdb: