Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTAPHKVAFPARCAVNICYDKHLCSQVFPAGIPVEGFFEGMVELFDADLKRKGFDGVALPAGSYELHKINGVRLDINKSLDELGVQ----DGDTLVLVPRVAGESFEPQYESLSTGLAAMGKWLGRDGGDRMFA-----PVTSLTAAHTAMAIIAMAVGVVLALTLRTRTITDSPVPAAMAGGIGVLLVIGALVVWWGWRERRDLFSGFGWLAVVLLAVAAACAPPGALGAAHALIGLVVVVLGAITIGVATRKRWQTAVVTAVVTVCGILAAVAAVRMFRPVSMQVLAICVLVGLLVLIRMTPTVALWVARVRPPHFGSITGRDLFARRAGMPVDTVAPVSEADADDEDNELTDITARGTAIAASARLVNAVQVGMCV--GVSLVLPAAVWGVLTPRQPWAWLALLVAGLTVGLFITQGRGFAAKYQAVALVCGASAAVCAGVLKYALDTPKGVQTGLLWPAIFVAAFAALGLAVALVVPATRFRPIIRLTVEWLEVLAMIALLPAAAALGGLFAWLRH |
3TNF Chain:B ((3-381)) | --LDEYEQAIKRAQENIKKGEELEKKL-DKLERQGKDLEDKYKTYEENLE--GFEKLLTDSEELSLSEINEKMEAFSKDSEKLTQLMEKHKGD------EKTVQSLQREHHDIKAKLANLQVLHDAHTGKKSYVNEKGNPVSSLKDAHLAIN--------------KDQEVVEH-------EGQFYLLQKGQ------WDAIKN---------------NPAALEKAQKDYSQSKHDLATIKMEALIHKLSLEMEKQLETINNLIMSTDPKENEEATKLLHKHNGLNLKLANLQDMLAVHRKEKSFF---------------------------------------NEKGEEVTSLNDAHYVIGKDQQLFNLGGKFYPIHKEQKILEKDGKFYLLKQGEDWESI----------------KDSPEKQKKAEHDFHKLQYETPMTVKKLVHHNKGLETTIHKERVEETKQQLEDNGKEKIEIANNISK--------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TNF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -200434 for 2420 contacts (-82.8/contact) +
2D Compatibility (PS) -38959 + (NN) -12133 + (LL) 14008
1D Compatibility (HY) 3200 + (ID) 2650
Total energy: -236968.0 ( -97.92 by residue)
QMean score : 0.202
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