Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTESNIPSFWAEKWQEHGYETPTEIQSAMYQPIKDGADVLAVSPTGTGKTVAYALPTLEKIEAI-PKTQWLVLAPSHELVMQITEVIRSWLPSDDLTVISLIGGANVKRQIEKLKKKPQIIVASPGRALELIKQKKIKMHEIKTITLDECDQLLRQENFKSTLEIVESAVRDRQLTLVSATKLENPDMFFAQTENTPVMLEVTAKPEELTNVEHLYMDVESRDKATLLRRISHI-KDMRGLVFVKDKPRMEILLEKLHYDKVKAAGIHGEIRKEKRKKYLDDFKKGTLTYLIVTDVAARGLDIEDLPYVIHYDLAASEKEYTHRSGRTGRMGKSGTVITFANPREIRTLKQYLTIHNLKGKQVRFYQGKLLDGAVPENKIAKKASRPPKQVQKSKKDDGKKPFRKDKPTGAAGGRKEKPTNSAKPTRNKPNKFNKKPNNFKKS |
| 1S2M Chain:A ((48-410)) | FEDFYLKRELLMGIFEAGFEKPSPIQEEAIPVAITGRDILARAKNGTGKTAAFVIPTLEKVKPKLNKIQALIMVPTRELALQTSQVVRTLGKHCGISCMVTTGGTNLRDDILRLNETVHILVGTPGRVLDLASRKVADLSDCSLFIMDEADKMLSRDFKTIIEQILSFLPPTHQSLLFSATFPLTVKEFMVKHLHKPYEINLMEE-LTLKGITQYYAFVEERQKLHCLNTLFSKLQINQAIIFCNSTNRVELLAKKITDLGYSCYYSHARMKQQERNKVFHEFRQGKVRTLVCSDLLTRGIDIQAVNVVINFDFPKTAETYLHRIGRSGRFGHLGLAINLINWNDRFNLYKIEQELGTEIAAIP------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1S2M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -163640 for 3009 contacts (-54.4/contact) +
2D Compatibility (PS) -38985 + (NN) -19401 + (LL) 1484
1D Compatibility (HY) -21600 + (ID) 4650
Total energy: -246792.0 ( -82.02 by residue)
QMean score : 0.522
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