Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKTIMASSLAVALGVTGYAAGTGHQAHAAEVNVDQAHLVDLAHNHQDQLNAAPIKDGAYDIHFVKDGFQYNFTSNGTTWSWSYEAANGQTAGFSNVAGADYTTSYNQGSDVQSVSYNAQSSNSNVEAVSAPTYHNYSTSTTSSSVRLSNGNTAGATGSSAAQIMAQRTGVSASTWAAIIARESNG-----QVNAYNPSGASGLFQTMPGWGPTNTVDQQINAAVKAYKAQGLGAWGF |
1E68 Chain:A ((1-70)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------MAKEFGIPAAVAGTVLNVVEAGGWVTTIVSILTAVGSGGL--SLLAAAGRESIKAYLKKEIKKKGKRAVIAW-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E68.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -30069 for 451 contacts (-66.7/contact) +
2D Compatibility (PS) -7018 + (NN) -1970 + (LL) 7996
1D Compatibility (HY) -4000 + (ID) 600
Total energy: -35661.0 ( -79.07 by residue)
QMean score : 0.457
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