Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MREYKLVVLGSGGVGKSALTVQFVQGIFVEKYDPTIEDSYRKQVEVDCQQCMLEILDTAGTEQFTAMRDLYMKNGQGFALVYSITAQSTFNDLQDLREQILRVKDTEDVPMILVGNKCDLEDERVVGKEQGQNLARQWCNCAFLESSAKSKINVNEIFYDLVRQINRKTPVEKKKPKKKSCLLL
2NZJ Chain:A ((2-171))
MALYRVVLLGDPGVGKTSLASLFAGK-----HEQLGEDVYERTLTVDGEDTTLVVVDTW-----SWSQESCLQGGSAYVIVYSIADRGSFESASELRIQLRRT----HVPIILVGNKADLARCREVSVEEGRACAVVF-DCKFIETSATLQHNVAELFEGVVRQLRLRR---------------
General information:
TITO was launched using:
RESULT:
Template:
2NZJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96563 for 1184 contacts (-81.6/contact) +
2D Compatibility (PS) -16643 + (NN) -3491 + (LL) 2088
1D Compatibility (HY) -10800 + (ID) 2800
Total energy: -128209.0 ( -108.28 by residue)
QMean score : 0.628
(partial model without unconserved sides chains):
PDB file :
Tito_2NZJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NZJ-query.scw
PDB file :
Tito_Scwrl_2NZJ.pdb
: