Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MREYKLVVLGSGGVGKSALTVQFVQGIFVEKYDPTIEDSYRKQVEVDCQQCMLEILDTAGTEQFTAMRDLYMKNGQGFALVYSITAQSTFNDLQDLREQILRVKDTEDVPMILVGNKCDLED-ERVVGKEQGQNLARQWCNCAFLESSAKSKI--NVNEIFYDLVRQINRKTPVEKKKPKKKSCLLL
1GUA Chain:A ((1-167))
MREYKLVVLGSGGVGKSALTVQFVQGIFVDEYDPTIEDSYRKQVEVDCQQCMLEILDTAGTEQFTAMRDLYMKNGQGFALVYSITAQSTFNDLQDLREQILRVKDTEDVPMILVGNKCDLEDE-RVVGKEQGQNLARQWCNCAFLESSAKS--KINVNEIFYDLVRQINR-----------------
General information:
TITO was launched using:
RESULT:
Template:
1GUA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95848 for 1301 contacts (-73.7/contact) +
2D Compatibility (PS) -17428 + (NN) -3190 + (LL) 1444
1D Compatibility (HY) -25200 + (ID) 8100
Total energy: -148322.0 ( -114.01 by residue)
QMean score : 0.722
(partial model without unconserved sides chains):
PDB file :
Tito_1GUA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1GUA-query.scw
PDB file :
Tito_Scwrl_1GUA.pdb
: