Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKSAIFVLSGFLAFLLYALLLYGLLLERHNKEAEKILLDLNKKDEQAIDLNLEDLPSEKKNEKIEKVTEKQGDFLEPKEEPKEEPEESLEDIFS-----SLNDFQEKTDKNAQKDEQKNEQEEQRRLREQQRLKQNQENQEMLKGLQQNLNQFTQKLESVKNKTLDLQIPKQDGVDEKAYQEWYAQIYQILYKGWRGVFYHKASVSVLIMITKDGEFDYTILSYSDFKDYNKSVMTLLDDLKKVDFPPYPGGNMISIKVNFTTKEEQ |
3TNF Chain:B ((7-111)) | ---------------------------------------------EQAIKRAQENIKKGEELEKKLDKLERQGKDLEDKYKTYEENLEGFEKLLTDSEELSLSEINEKMEAFS-KDSEKLTQLMEKHKGDEKTVQSLQREHHDIKAKLANLQVLHDAHTGKKSYVNEKGNPVSSLKDAHLAINKDQEVVEHEGQFYLLQKGQWDAIKNNPAALEKAQKDYSQSKHDLATIKMEALIHKLSLEMEKQLETINNLIMSTDPKENEEATKL |
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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) 43262 for 461 contacts (93.8/contact) +
2D Compatibility (PS) -10943 + (NN) -1621 + (LL) 4408
1D Compatibility (HY) -1200 + (ID) 1450
Total energy: 32456.0 ( 70.40 by residue)
QMean score : 0.364
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