Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MESAVSTSTQVPDEFDRNVPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKASFTCPFNGSCTITKDNRRHCQACRLKRCLDIGMMKEFILTDEEVQRKKELIQRRKDEEAHREAQKPRLSDEQRNIIDTLVDAHHKTYDDSYSDFSRFRPPVREGPVTRSASRAASLHSLSDASSDSFSHSPESGDRKMNLSNLLMMYQEQGLSSSPDSKEEDGSSLSMLPHLADLVSYSIQKVIGFAKMIPGFRELTAEDQIALLKSSAIEVIMLRSNQSFSLEDMSWSCGGPEFKYCVNDVTKAGHTLELLEPLVKFQVGLKKLNLHEEEHVLLMAICLLSPDRPGVQDHVRVEALQDKVSEVLQAYIRAHHPGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVLEVFGGQVT |
| 3O1E Chain:A ((5-302)) | --------------------------------------------------------------------------------------------------------------------------LSDEQMQIINSLVEAHHKTYDDSYSDFVRFRPPVR---------------------------------------------------------------LSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIALLKSSAIEIIMLRSNQSFSLEDMSWSCGGPDFKYCINDVTKAGHTLELLEPLVKFQVGLKKLKLHEEEHVLLMAICLLSPDRPGVQDHVRIEALQDRLCDVLQAYIRIQHPGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVLEVFGSEVS |
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General information:
TITO was launched using:
| RESULT:
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Template: 3O1E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -134479 for 1838 contacts (-73.2/contact) +
2D Compatibility (PS) -25623 + (NN) -20872 + (LL) 9648
1D Compatibility (HY) -35600 + (ID) 10800
Total energy: -217726.0 ( -118.46 by residue)
QMean score : 0.549
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