Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRQTMTFIPTLKEVPADAEVKSHQLLLRAGFIRQTASGIYSYLPLATLMLRKIETIIREELEAIGAAELLMPALQPAELWQESGRWNDYGPELMRLKDRASRDFALGPTHEEVITALLRDEVKSYKRLPLTLYQIQTKFRDEKRPRFGLLRGREFIMKDAYSFHATSESLDEVYNLMHQAYSNIFTRCGLEFRSVIADSGSIGGNESKEFMALSDIGEDTIAYSDASDYAANTEMAPVLYMEKKSHELEKDLEKVATPDQKSITDIVGFLEVPIEKTMKSMLYQVDDEVIMVLVRGDHEVNDIKIKNALDATNVELVDPAVAVELLGANFGSLGPINVPENMRVFADNAVKDIVNAVVGANEDGFHYINVNPDRDFSVTSYFDLRMIQVGDLSPDGQGVIKFAEGIEVGHIFKLGTKYSEAMNATILDENGRAQPIIMGCYGIGVSRILSAIAEQSNDENGFVWDKQISPFDLHLIPVNMKSEEQVAFAETLYTSLQDAGFSVLIDDRAERAGVKFADADLIGLPIRITVGKKAAEGVVEVKIRKTGEMIEVRQDELLNTLPILFGDK |
2I4O Chain:A ((21-241)) | MRLSRFFLPILKENPKEAEIVSHRLMLRAGMLRQEAAGIYAWLPLGHRVLKKIEQIVREEQNRAGAIELLMPTLQLADLWRESGRYDAYGPEMLRIADRHKRELLYGPTNEEMITEIFRAYIKSYKSLPLNLYHIQWKFRDEQRPRFGVMRGREFLMKDAYSFDVDEAGARKSYNKMFVAYLRTFARMGLKAIPMRAETGPIGGDLSHEFIVLAETGESGV----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2I4O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -76520 for 1463 contacts (-52.3/contact) +
2D Compatibility (PS) -23378 + (NN) -7583 + (LL) 23816
1D Compatibility (HY) -21200 + (ID) 5950
Total energy: -110815.0 ( -75.75 by residue)
QMean score : 0.452
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