Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MREYKLVVLGSGGVGKSALTVQFVQGIFVEKYDPTIEDSYRKQVEVDCQQCMLEILDTAGTEQFTAMRDLYMKNGQGFALVYSITAQSTFNDLQDLREQILRVKDTEDVPMILVGNKCDLEDERVVGKEQGQNLARQWCNCAFLESSAKSKINVNEIFYDLVRQINRKTPVEKKKPKKKSCLLL
3OES Chain:A ((23-188))
-RYRKVVILGYRCVGKTSLAHQFVEGEFSEGYDPTVENTYSKIVT----EFHLHLVDTAGQDEYSILPYSFIIGVHGYVLVYSVTSLHSFQVIESLYQKLHE-----RVPVVLVGNKADLSPEREVQAVEGKKLAESW-GATFMESSARENQLTQGIFTKVIQEIARV----------------
General information:
TITO was launched using:
RESULT:
Template:
3OES.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90276 for 1285 contacts (-70.3/contact) +
2D Compatibility (PS) -16495 + (NN) -118 + (LL) 1900
1D Compatibility (HY) -13200 + (ID) 3050
Total energy: -121239.0 ( -94.35 by residue)
QMean score : 0.558
(partial model without unconserved sides chains):
PDB file :
Tito_3OES.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OES-query.scw
PDB file :
Tito_Scwrl_3OES.pdb
: