Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MREYKLVVLGSGGVGKSALTVQFVQGIFVEKYDPTIEDSYRKQVEVDCQQCMLEILDTAGTEQFTAMRDLYMKNGQGFALVYSITAQSTFNDLQDLREQILRVKDTEDVPMILVGNKCDLEDERVVGKEQGQNLARQWCNCAFLESSAKSKINVNEIFYDLVRQINRKTPVEKKKPKKKSCLLL
1JAI Chain:A ((1-166))
MTEYKLVVVGAPGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLA-ARTVESRQAQDLARSY-GIPYIETSAKTRQGVEDAFYTLVREIRQH----------------
General information:
TITO was launched using:
RESULT:
Template:
1JAI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97716 for 1343 contacts (-72.8/contact) +
2D Compatibility (PS) -17843 + (NN) -5654 + (LL) 988
1D Compatibility (HY) -19600 + (ID) 4700
Total energy: -144525.0 ( -107.61 by residue)
QMean score : 0.714
(partial model without unconserved sides chains):
PDB file :
Tito_1JAI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JAI-query.scw
PDB file :
Tito_Scwrl_1JAI.pdb
: