Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKRMVIGLSTGSDDDDVEVIGGVDPRLIAVQENDSDESSLTDLVEQPAKVMRIGTMIKQLLEEVRAAPLDEASRNRLRDIHATSIRELEDGLAPELREELDRLTLPFNEDAVPSDAELRIAQAQLVGWLEGLFHGIQTALFAQQMAARAQLQQMRQGALPPGVGKSGQHGHGTGQYL |
5IET Chain:A ((23-125)) | ---------------------------------------SLTDLVEQPAKVMRIGTMIKQLLEEVRAAPLDEASRNRLRDIHATSIRELEDGLAPELREELDRLTLPFNEDAVPSDAELRIAQAQLVGWLEGLFHGIQTALF------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 5IET.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 33138 for 641 contacts (51.7/contact) +
2D Compatibility (PS) -10946 + (NN) -2288 + (LL) 3620
1D Compatibility (HY) 6400 + (ID) 900
Total energy: 29024.0 ( 45.28 by residue)
QMean score : 0.150
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