Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDQEILDVLIVGAGPGGIATVVECEIAGVKKVLLCEKTESHSGMLEKFYKAGKRIDKDYKKQVVELKGHIPFKDSFKEETLENFTNLLKEHRITPSYKTDIESVKKE-GELFKITTTSNTTYHAKFVVVAIGKMGQ-PNRPTTYKIPVALSKQVV---FSINDCKENEKTLVIGGGNSAVEYAIALCKTTP-TTLNYRKKEFSRINEDNAKNLQEVLDNNTLKSKLGVDIESLEEDNTQ---IKVNFTDNT--SESFDRLLYAIGGSTPLEFFKRCSLELDPSTNIPVVKENLESNNIPNLFIVGDILFKS--GASIATALNHGYDVAIEIAKRLQS |
3AB1 Chain:A ((13-328)) | ---DMRDLTIIGGGPTGIFAAFQCGMNNIS-CRIIESMPQLGGQLAALYPEKHIY--DVA----------GFPEVPAIDLVESLWAQAERYNPDVVLNETVTKYTKLDDGTFETRTNTGNVYRSRAVLIAAGLGAFEPRKLPQLGNIDHLTGSSVYYAVKSVEDFKGKRVVIVGGGDSALDWTVGLIKNAASVTLVHRGHEFQG-HGKTAHEVERARANGTIDVYLETEVASIEESNGVLTRVHLRSSDGSKWTVEADRLLILIGFKSNLGPLARWDLELY-E-NALVVDSHMKT-SVDGLYAAGDIAYYPGKLKIIQTGLSEATMAVRHSLSYIKP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AB1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154016 for 2471 contacts (-62.3/contact) +
2D Compatibility (PS) -31807 + (NN) -3946 + (LL) 1328
1D Compatibility (HY) -14000 + (ID) 3350
Total energy: -205791.0 ( -83.28 by residue)
QMean score : 0.441
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