Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRAEIIAVGTEILTGQIVNTNAQFLSEKMAELGIDIYFQTAVGDNEERLLSLLDIASQRSQLVILCGGLGPTEDDLTKQTLAKFLGKSLTVDLLASRKLDRFFASRPQFARTPNNERQAQLVEGSIPLQNLTGLAVGGIVTSKGVQYMVLPGPPSELKPMVMEQVVPILSNNGTKLYSRVLRFFGIGESQLVTILEDIIKNQTDPTIAPYAKVGEVTLRLSTKAENQDEADFKLDSLEKEILALKTLDNRKLKDLLYGYGDNNSMARTVLELLKVQNKTITAAESLTAGLFQSQLAEFSGASQVFNGGFTTYSMEAKSQLLGIPKKKLQEYGVVSHFTAEAMAQQARQLLKADFGIGLTGVAGPDELEGYPAGTVFIGIATPEGVSSIKVSIGGKSRSDVRHISTLHAFDLVRRALLKI |
| 3KBQ Chain:A ((4-170)) | KNASVITVGNEILKGRTVNTNAAFIGNFLTYHGYQVRRGFVVMDDLDEIGWAFRVALEVSDLVVSSGGLGPTFDDMTVEGFAKCIGQDLRIDEDALAMIKKKYG------LTPQRLKMAKIPPSCRPIENPVGTAPGLICAVGGKKVIILPGVPKEMEALLKAMEKDIII--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3KBQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -80304 for 1401 contacts (-57.3/contact) +
2D Compatibility (PS) -18054 + (NN) -8548 + (LL) 17240
1D Compatibility (HY) -7600 + (ID) 2600
Total energy: -99866.0 ( -71.28 by residue)
QMean score : 0.463
|
|
|