Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -----MKLSELLSAYSIETEFSNDFEVHALAELDKATPNDISYIDQVCYLKLLKDSKAGAVFIRKKESSKVPKSMQ--ALIVDNPHLAFAKVSHAFKIPFFKNPQSVNEP-------KHFEKVTIMPNVVIGEGVEIGENSLIYPGVVIADGVKIGKNCILYPRVILYQNTILEDNVIIHAGSVIGGDGFGYAHTALGEHVKIEHVGIVRIQKNVEIGANTAIDRAVFGETLIKEGVKIDNLVQIGHNCVLGEHSIVVSQVGLSGSTTTGRNVVFGGQVGIGGHLHVGEFTQIGGKSAVGKDLPPNTNFAGAIPAMEIHEWHHFLAHLRTNFRKQQKTSLLQKAKGFFKS |
2IU8 Chain:A ((21-366)) | MSQSTYSLEQLADFLKVEFQGNGATLLSGVEEIEEAKTAHITFLDNEKYAKHLKSSEAGAIIISRTQFQKYRDLNKNFLITSESPSLVFQKCLELFITPVDSGFPGIHPTAVIHPTAIIEDHVCIEPYAVVCQHAHVGSACHIGSGSVIGAYSTVGEHSYIHPRVVIRERVSIGKRVIIQPGAVIGSCGFGYVTSAFGQHKHLKHLGKVIIEDDVEIGANTTIDRGRFKHSVVREGSKIDNLVQIAHQVEVGQHSMIVAQAGIAGSTKIGNHVIIGGQAGITGHICIADHVIMMAQTGVTKSITSPGIYGGA-PARPYQEIHRQVAKVRNLPRLEERIAALEKLVQK--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IU8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -242784 for 2601 contacts (-93.3/contact) +
2D Compatibility (PS) -36833 + (NN) -19623 + (LL) 372
1D Compatibility (HY) -18000 + (ID) 5350
Total energy: -322218.0 ( -123.88 by residue)
QMean score : 0.349
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