Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKTIYDITIVGGGPVGLFAAFYAGLRGVSVKIIESLSELGGQPAILYPEKKIYDIPGYPVITGRELIDKHIEQLERFKDSIEICLKEEVLSFEKVDD-VFTIQTDK-DQHLSRAIVFACGNGAFAPRLL-GLENEENYADNNLFYNVTKLEQFAGKHVVICGGGDSAVDWANELDKIAASVAIVHRRDAFRAH---EHSVDILKASGVRILTPYVPIGLNGDSQRVSSLVVQKVKGDEVIELPLDNLIVSFGFSTSNKNLRYWNLDYKRSSINVSSLFETTQEGVYAIGDAANYPGKVELIATGYGEAPVAINQAINYIYPDRDNRVVHSTSLIK |
3AB1 Chain:B ((14-339)) | ----MRDLTIIGGGPTGIFAAFQCGMNNISCRIIESMPQLGGQLAALYPEKHIYDVAGFPEVPAIDLVESLWAQAERYNP--DVVLNETVTKYTKLDDGTFETRTNTGNVYRSRAVLIAAGLGAFEPRKLPQLGNIDHLTGSSVYYAVKSVEDFKGKRVVIVGGGDSALDWTVGLIKNAASVTLVHRGHEFQGHGKTAHEVERARANGTIDVYLETEVASIEESNGVLTRVHLRSSDGSKWTVEADRLLILIGFKSNLGPLARWDLELYENALVVDSHMKTSVDGLYAAGDIAYYPGKLKIIQTGLSEATMAVRHSLSYIKPGEKIRNVFSSVKMA |
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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) -199758 for 2675 contacts (-74.7/contact) +
2D Compatibility (PS) -34105 + (NN) -9011 + (LL) 420
1D Compatibility (HY) -23200 + (ID) 6250
Total energy: -271904.0 ( -101.65 by residue)
QMean score : 0.478
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