Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRAEIIAVGTEILTGQIVNTNAQFLSEKMAELGIDIYFQTAVGDNEERLLSLLDIASQRSQLVILCGGLGPTEDDLTKQTLAKFLGKSLTVDLLASRKLDRFFASRPQFARTPNNERQAQLVEGSIPLQNLTGLAVGGIVTSKGVQYMVLPGPPSE----LKPMVMEQVVPILSNNGTKLYSRVLRFFGIGESQLVTILEDIIKNQTDPTIAPYAKVGEVTLRLSTKAENQDEADFKLDSLEKEILALKTLDNRKLKDLLYGYGDNNSMARTVLELLKVQNKTITAAESLTAGLFQSQLAEFSGASQVFNGGFTTYSMEAKSQLLGIPKKKLQEYGVVSHFTAEAMAQQARQLLKADFGIGLTGVAGPDELEGYPAGTVFIGIATPEGVSSIKVSIGGKSRSDVRHISTLHAFDLVRRALLKI |
3KBQ Chain:B ((6-169)) | --ASVITVGNEILKGRTVNTNAAFIGNFLTYHGYQVRRGFVVMDDLDEIGWAFRVALEVSDLVVSSGGLGPTFDDMTVEGFAKCIGQDLRIDEDALAMIKKKYG---QADLTPQRLKMAKIPPSCRPIENPVGTAPGLICAVGGKKVIILPGVPKEMEALLKAMEKDII-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
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) -70418 for 1295 contacts (-54.4/contact) +
2D Compatibility (PS) -17572 + (NN) -11784 + (LL) 17556
1D Compatibility (HY) -7200 + (ID) 2750
Total energy: -92168.0 ( -71.17 by residue)
QMean score : 0.465
|
|
|