Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTAAGLSGIDLTDLDNFADGFPHHLFAIHRREAPVYWHRP---TEHTPDGEGFWSVATYAETLEVLRDPVTYSSVTGGQ-RRFGGTVL-QDLPVAGQVLNMMDDPRHTRIRRLVSSGLTPRMIRRVEDDLRRRARGLLDGVEPGAPFDFVVEIAAELPMQMICILLGVPETDRHWLFEAVEPGFDFRGSRRATMPRLNVEDAGSRLYTYALELIAGKRAEPADDMLSVVANATIDDPDAPALSDAELYLFFHLLFSAGAETTRNSIAGGLLALAENPDQLQTLRSDFELLP-TAIEEIVRWTSPSPSKRRTASRAVSLGGQPIEAGQKVVVWEGSANRDPSVFDRADEFDITRKPNPHLGF-GQGVHYCLGANLARLELRVLFEELLSRFGSVRVVEPAEWTRSNRHTGIRHLVVELRGG |
2XC3 Chain:A ((16-418)) | --------GFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPGKGGGFHDGGFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVMLNMDAPHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAGSGDFVEQVSCELPLQAIAGLLGVPQEDRGKLFHWSN---EMTGNEDPEYAHIDPKASSAELIGYAMKMAEEKA-----DIVTQLIQADI---DGEKLSDDEFGFFVVMLAVAGNETTRNSITQGMMAFAEHPDQWELYK---KVRPETAADEIVRWATPVTAFQRTALRDYELSGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNILRNPNPHVGFGGTGAHYCIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLNGIKHWQVDYTG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XC3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187689 for 3334 contacts (-56.3/contact) +
2D Compatibility (PS) -42486 + (NN) -25407 + (LL) 136
1D Compatibility (HY) -28000 + (ID) 7250
Total energy: -290696.0 ( -87.19 by residue)
QMean score : 0.469
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