Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKGDVLEAAPTTTAYHSLMDEYGYEVGKAIGHGSYGSVYEAFYTKQKVMVAVKIISKKKASDDYLNKFLPR---EIQVMKVLRHKYLINFYRAIESTSRVYIILELAQGGDVLEWIQRYGACSEPLAGKWFSQLTLGIAYLHSKSIVHRDLKLENLLLDKWENVKISDFGFAKMVPSNQPVGCSPSYRQVNCFSHLSQTYCGSFAYACPEILRGLPYNPFLSDTWSMGVILYTLVVAHLPFDDTNLKKLLRETQKEVTFPANHTISQECKNLILQMLR-QATKRATILDIIKDSWVLKFQPEQPTHEIRLLEAMCQLHNTTKQHQSLQITT |
4CQG Chain:A ((11-265)) | ------------------------YELYETIGTGGFAKVKLACHVLTGEMVAIKIMDKNALGSD-----LPRVKTEIDALKSLRHQHICQLYHVLETKNKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQILSAVAYVHSQGYAHRDLKPENLLFDENHKLKLIDFGLCA-----K---------------------CGSLAYAAPELIQG-----SEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRG-KYEVPKWLSPSSILLLQQMLQVDPKKRISMRNLLNHPWVMQDYSCPVEWQSKTPLTHLDEDCVTELSVHHRSSR |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CQG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162426 for 1815 contacts (-89.5/contact) +
2D Compatibility (PS) -24686 + (NN) -6804 + (LL) 2628
1D Compatibility (HY) -23600 + (ID) 4250
Total energy: -219138.0 ( -120.74 by residue)
QMean score : 0.512
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