Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLTENSAVNSGGKSKCEAGACESRVNGDATSVMDLMAVSTSATGQDEFDRNAPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKASFTCPFNGNCTITKDNRRHCQACRLKRCIDIGMMKEFILTDEEVQRKKDLIMKRKEEEAAREARKPRLSDEQMQIINSLVEAHHKTYDDSYSDFVRFRPPVREGPVTRSASRAASLHSLSDASSDSFNHSPESVDTKLNFSNLLMMYQDSGSPDSSEEDQQSRLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIALLKSSAIEIIMLRSNQSFSLEDMSWSCGGPDFKYCINDVTKAGHTLELLEPLVKFQVGLKKLKLHEEEHVLLMAICLLSPDRPGVQDHVRIEALQDRLCDVLQAYIRIQH--PGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVLEVFGSEVS |
3AUQ Chain:A ((5-259)) | -----------------------------------------------------------------------------------------------------------------------------------------------------DSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVR------------------------VND--GSVTLEL-----------------------SQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFG---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AUQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -144535 for 1932 contacts (-74.8/contact) +
2D Compatibility (PS) -27275 + (NN) -18831 + (LL) 10412
1D Compatibility (HY) -34000 + (ID) 9650
Total energy: -223879.0 ( -115.88 by residue)
QMean score : 0.500
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