Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIREDEVRKLVGEMREPFLQRPLGELDAVKEIKIKPEKRHISVKVALAKTGTAEQMQIQQEIVNVLKGAGAETVGLRFEELPEETVAKFRAPSAEKKTLLNMDNPPVFLAVASGKGGVGKSTVSVNLAISLARLGKKVGLIDADIYGFSVPDMMGITVRPTIEGEK-LLPVERFGVKVMSMGFFVEENAPVVWRGPMLGKMLNNFFHEVEWGEVDYIVLDLPPGTGDVALDVHTMLPSCKEIIVSTPHPTAAFVAARAGSMAIKTDHEVVGVIENMAYYESAKTGEREYVFGKGGGDKLAEELNVPLLGRIPLKQPDWDKDQFAPSVYDENHPIGEIYQDIAKKIDAKMSVQV |
5AUQ Chain:B ((21-223)) | -----------------------------------------------------------------------------------------------------------IIPVVSGKGGVGKSLVSTTLALVLAEKGYRVGLLDLDFHGASDHVILGFEPKEFP----GVVPPTVHGIKFMTIAYYT------PLRGKEISDALIELLTITRWDELDYLVIDMPPGLGDQLLDVLRFLKRGEFLVVATPSKLSLNVVRKLIELLKEEGHKVIGVVENMKL--------KDV-------EKLAEEFGVPYLVGIPF-YPDLD---------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 5AUQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -157268 for 1487 contacts (-105.8/contact) +
2D Compatibility (PS) -19739 + (NN) -9805 + (LL) 11632
1D Compatibility (HY) -16400 + (ID) 3550
Total energy: -195130.0 ( -131.22 by residue)
QMean score : 0.517
|
|
|