Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEKEIWEKVLEIAQEKLSAVSYSTFLKDTELYTIKDGEAIVLSSIPFNANWLNQQYAEIIQAILFDVVGYEVKPHFITTEELANYSNNETATPKETTKPSTETTEDNHVLGREQFNAHNTFDTFVIGPGNRFPHAASLAVAEAPAKAYNPLFIYGGVGLGKTHLMHAIGHHVLDNNPDAKVIYTSSEKFTNEFIKSIRDNEGEAFRERYRNIDVLLIDDIQFIQNKVQTQEEFFYTFNEL-HQNNKQIVISSDRPPKEIAQLEDRLRSRFEWGLIVDITPPDYETRMAILQKKIEEEKLDIPPEALNYIANQIQSNIRELEGALTRLLAYSQLLGKPITTELTAEALKDIIQAPKSKKITIQDIQKIVGQYYNVRIEDFSAKKRTKSIAYPRQIAMYLSRELTDFSLPKIGEEFGGRDHTTVIHAHEKISKDLKEDPIFKQEVENLEKEIRNV |
3BOS Chain:A ((45-241)) | ---------------------------------------------------------------------------------------------------------------------------------------------SAASGDGVQAIYLWGPVKSGRTHLIHA-----------ACARANELERRSFYIPLGIHASISTALLEGLEQFDLICIDDVDAVAGHPLWEEAIFDLYNRVAEQKRGSLIVSASASPMEAGFVLPDLVSRMHWGLTYQLQPMMDDEKLAALQRRAAMRGLQLPEDVGRFLLNRMARDLRTLFDVLDRLDKASMVHQRKLTIPFVKEMLR--------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BOS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -55110 for 1452 contacts (-38.0/contact) +
2D Compatibility (PS) -21328 + (NN) -13601 + (LL) 17992
1D Compatibility (HY) -12000 + (ID) 2350
Total energy: -86397.0 ( -59.50 by residue)
QMean score : 0.445
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