Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MESAVSTSTQVPDEFDRNVPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKASFTCPFNGSCTITKDNRRHCQACRLKRCLDIGMMKEFILTDEEVQRKKELIQRRKDEEAHREAQKPRLSDEQRNIIDTLVDAHHKTYDDSYSDFSRFRPPVREGPVTRSASRAASLHSLSDASSDSFSHSPESGDRKMNLSNLLMMYQEQGLSSSPDSKEEDGSSLSMLPHLADLVSYSIQKVIGFAKMIPGFRELTAEDQIALLKSSAIEVIMLRSNQSFSLEDMSWSCGGPEFKYCVNDVTKAGHTLELLEPLVKFQVGLKKLNLHEEEHVLLMAICLLSPDRPGVQDHVRVEALQDKVSEVLQAYIRAHH--PGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVLEVFGGQVT |
3A2J Chain:A ((5-259)) | --------------------------------------------------------------------------------------------------------------------DSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVR----------------VNDG------------SVTLELSQL-----------------------SMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGFSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEFSKQYRCLSFQPECSMKLTPLVLEVFG---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A2J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -122893 for 1940 contacts (-63.3/contact) +
2D Compatibility (PS) -27286 + (NN) -19604 + (LL) 8948
1D Compatibility (HY) -34000 + (ID) 9450
Total energy: -204285.0 ( -105.30 by residue)
QMean score : 0.554
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