Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | METDIVVIGAGPVGIFTAFQAGMLDMRCHIIDVLDQAGGQCTALYPEKPIYDIPGYPVITAQKLIEQLMEQASPFEPVYHLSQRVEEIANNDSQSFIVVTSAGTKVKCKAIIIAAGNGIFEPNR-PPLSGILEYENKSVFYNVNKISDFQDKIIVIAGGGDSAADWTVELSKVAKKIYVIHRRKEFRCVSETRNKLKLLESSGRIELVVPYQLHKLTGNDGQLSAVIIKNITSKEEKKISADFLLPFFGLSMDLGPIGSWDIQLERSRVVVDQATLRTSRDRIYAIGDVAAYLGKLKLILNGFAESTMAC-YDIYKVIHNSPVNFQYSTSKVVRGKKSDLL |
3AB1 Chain:B ((16-348)) | ---DLTIIGGGPTGIFAAFQCGMNNISCRIIESMPQLGGQLAALYPEKHIYDVAGFPEVPAIDLVESLWAQAERYNPDVVLNETVTKYTKLDDGTFETRTNTGNVYRSRAVLIAAGLGAFEPRKLPQLGNIDHLTGSSVYYAVKSVEDFKGKRVVIVGGGDSALDWTVGLIKNAASVTLVHRGHEFQGHGKTAHEVERARANGTIDVYLETEVASIEESNGVLTRVHLRS-SDGSKWTVEADRLLILIGFKSNLGPLARWDLELYENALVVD-SHMKTSVDGLYAAGDIAYYPGKLKIIQTGLSEATMAVRHSLSYIKPGEKIRNVFSSVKMAKEKKA--- |
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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) -256600 for 2717 contacts (-94.4/contact) +
2D Compatibility (PS) -35297 + (NN) -11595 + (LL) 964
1D Compatibility (HY) -25200 + (ID) 6250
Total energy: -333978.0 ( -122.92 by residue)
QMean score : 0.499
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