Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQHKLRKLNPPDESGPGCMSCKCVLS
1IAQ Chain:B ((1-166))
MTEYKLVVVGAGGVGKSALTIQLIQNHFV---------SYRKQVVIDGETCLLDILDTAGQ------RDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQH-----------------------
General information:
TITO was launched using:
RESULT:
Template:
1IAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103857 for 1210 contacts (-85.8/contact) +
2D Compatibility (PS) -16820 + (NN) -5598 + (LL) 1300
1D Compatibility (HY) -21600 + (ID) 7550
Total energy: -154125.0 ( -127.38 by residue)
QMean score : 0.653
(partial model without unconserved sides chains):
PDB file :
Tito_1IAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IAQ-query.scw
PDB file :
Tito_Scwrl_1IAQ.pdb
: