Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIKIYDTMTRSLQDFIPLNEGKVNMYVCGPTVYNYIHIGNARSVVAFDTIRRYFEYCGYQVNYISNFTDVDDKIIKGAAEAGMDTKSFSDKFISAFMEDVAALGVKPATKNPRVIDYMDEIIDFVKVLVDKEFAYEA-NGDVYFRVSKSHHYAKLANKTLEDLEIGASGRVDGEGEIKENPLDFALWKSAKSGEVSWESPWGKGRPGWHIECSVMATEILGDTIDIHGGGADLEFPHHTNEIAQSEAKTGKTFANYWMHNGFVNVDNEKMSKSLGNFITVHDMLKSVDGQVIRFFLATQQYRKPVNFTEKAVHDAEVNLKYLKNTFNLPIQENANDEELEQFVKAFQEAMDDDFNTANGITVIFEMAKWINS-----GHYTSKVKETLAELLEIFGIVFQE-----EVLDADIESLIEQRQEARANRDFATADRIRDELAKQGIKLLDTKDGVRWTRD |
1LI7 Chain:B ((1-402)) | MLKIFNTLTRQKEEFKPIHAGEVGMYVCGITVYDLCHIGHGRTFVAFDVVARYLRFLGYKLKYVRNITDIDDKIIKR-----ESFVAMVDRMIAEMHKDFDALNILRPDMEPRATHHIAEIIELTEQLIAKGHAYVADNGDVMFDVPTDPTYGVLSRQ--------------------RNPMDFVLWKMSKEGEPSWPSPWGAGRPGWHIECSAMNCKQLGNHFDIHGGGSDLMFPHHENEIAQSTCAHDGQYVNYWMHSGMVMVDREKM-----NFFTVRDVLKYYDAETVRYFLMSGHYRSQLNYSEENLKQARAALERLYTALR-GTDKTVAPAGGEAFEARFIEAMDDDFNTPEAYSVLFDMAREVNRLKAEDMAAANAMASHLRKLSAVLGLLEQEPEAFL---------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1LI7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -200331 for 3097 contacts (-64.7/contact) +
2D Compatibility (PS) -38235 + (NN) -10660 + (LL) 5180
1D Compatibility (HY) -35200 + (ID) 8100
Total energy: -287346.0 ( -92.78 by residue)
QMean score : 0.488
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