Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSWNHQSVEIAVRRTTVPSPNLPPGFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPGKGGGFHDGGFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVMLNMDAPHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAGSGDFVEQVSCELPLQAIAGLLGVPQEDRGKLFHWSNEMTGNEDPEYAHIDPKASSAELIGYAMKMAEEKAKNPADDIVTQLIQADIDGEKLSDDEFGFFVVMLAVAGNETTRNSITQGMMAFAEHPDQWELYK--KVRPETAADEIVRWATPVTAFQRTALRDYELSGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNILRNPNPHVGFGGTGAHYCIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLNGIKHWQVDYTGRCPVAH |
4PWV Chain:A ((30-426)) | -----------------PIPDDISTINLTDPRTYEVNDLSEYWRQLRTTRPLYWH---PPVGDA---PGFWVVSRYADVMALYKDNKKLTSEKGNVLVTL---LAGGDSAAGKMLAVT-DGAMHRGLRNVLLKSFSPQALKPIVDQIRVNTTRLVVDAARRGECDFAADVAEQIPLNTISDLLGVPAADREFLLKLNKSALSSEDADQSATDAWLARNEILLYFSELVAERRAKPTEDVISVLANSMVDGKPLTEEVIVLNCYSLILGGDETSRLSMIDSVQTFTQYPDQWELLRDGKVTLESATEEVLRWATPAMHFGRRAVTDMELHGQVIAAGDVVTLWNNSANRDEEVFADPYAFDLNRSPNKHITF-GYGPHFCLGAYLGRAEVHALLDALRTYTTGFEITGEPQRIHSNFLTGLSRLPV---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PWV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176228 for 3322 contacts (-53.0/contact) +
2D Compatibility (PS) -42278 + (NN) -22962 + (LL) 1932
1D Compatibility (HY) -26800 + (ID) 6100
Total energy: -272436.0 ( -82.01 by residue)
QMean score : 0.551
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