Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRAEIIAVGTEILTGQIVNTNAQFLSEKMAELGIDIYFQTAVGDNEERLLSLLDIASQRSQLVILCGGLGPTEDDLTKQTLAKFLGKSLTVDLLASRKLDRFFASRPQFARTPNNERQAQLVEGSIPLQNLTGLAVGGIVTSKGVQYMVLPGPPSELKPMVMEQVVPILSNNGTKLYSRVLRFFGIGESQLVTILEDIIKNQTDPTIAPYAKVGEVTLRLSTKAENQDEADFKLDSLEKEILALKTLDNRKLKDLLYGYGDNNSMARTVLELLKVQNKTITAAESLTAGLFQSQLAEFSGASQVFNGGFTTYSMEAKSQLLGIPKKKLQEYGVVSHFTAEAMAQQARQLLKADFGIGLTGVAGPDELEGYPAGTVFIGIATPEGVSSIKVSIGGKSRSDVRHISTLHAFDLVRRALLKI |
3KBQ Chain:A ((4-169)) | KNASVITVGNEILKGRTVNTNAAFIGNFLTYHGYQVRRGFVVMDDLDEIGWAFRVALEVSDLVVSSGGLGPTFDDMTVEGFAKCIGQDLRIDEDALAMIKKKYG------LTPQRLKMAKIPPSCRPIENPVGTAPGLICAVGGKKVIILPGVPKEMEALLKAMEKDIII--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KBQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -80878 for 1392 contacts (-58.1/contact) +
2D Compatibility (PS) -17932 + (NN) -8491 + (LL) 17008
1D Compatibility (HY) -7600 + (ID) 2600
Total energy: -100493.0 ( -72.19 by residue)
QMean score : 0.477
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