Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLQTINLTQRYATKKLFENVNIKLDKNKRYGLIGANGAGKSTFLKILSKSIDCSSGEVIITS---------GMRMGVLGQDQYAFEDLSLKDAVLIGNRRLYDAIKEKERLYTEGDLSDDKVNARLGELETICVEEDPMYECEVVIEKILEDLGIPSSKHNDLMKTLPSSDKFKILLAQVLFPKPDILLLDEPTNNLDLNAIEWLENNLKRH----EGTMVVISHDRHFLNAVCTHILDLDFHSVREFSGNYDDWYIASTLIAKQQEAERNKKLKEKEELEKFIARFSANASKAKQATSRQKQLDKLDIQSLAISSRRDPSIIFKPKRTIGNEALECENISKSYDDQIVLNQVSLKVMPKDKIALIGPNGVGKSTLCKILVEELKPDTGVVKWGATVLKGYFPQNVSEEISGEETLYQWLFNFNKKIESAEVRNALGRMLFNGEEQEKCVNALSGGEKHRMVLSKLMLEGGNFLVLDEPTNHLDLEAIIALGEALFKFDGALICVSHDRELIDAYANRIIELVPSPKGASIIDFKGSYEEYLASKK |
| 3D31 Chain:A ((1-216)) | MIEIESLSRKWKN-FSLDNLSLKVESGEYFVILGPTGAGKTLFLELIAGFHVPDSGRILLDGKDVTDLSPEKHDIAFVYQNYSLFPHMNVKKNLEFGMRMK-K------------------------------------IKDPKRVLDTARDLKIEH-LLDRNPLTLSGGEQQRVALARALVTNPKILLLDEPLSALDPRTQENAREMLSVLHKKNKLTVLHITHDQTEARIMADRIAVVMDGKLIQV-GKPEEIFEKPVEGRVASFVGFENVLKGRVISAEQGLLRIRVGEVVIDAAGDMEVGDQVYAFLRPENIALSKSSTQSSIRNSLQGRVTEAWVLGALVRVKVDCGVPLNVLITRRSAEEMELSPGVQIYARFKASSVHVLR-------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3D31.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -131673 for 1610 contacts (-81.8/contact) +
2D Compatibility (PS) -21820 + (NN) -11361 + (LL) 13728
1D Compatibility (HY) -8800 + (ID) 2200
Total energy: -162126.0 ( -100.70 by residue)
QMean score : 0.511
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