Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQHKLRKLNPPDESGPGCMSCKCVLS
2Q21 Chain:A ((1-171))
MTEYKLVVVGAVGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQHKLRKL------------------
General information:
TITO was launched using:
RESULT:
Template:
2Q21.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111940 for 1363 contacts (-82.1/contact) +
2D Compatibility (PS) -19279 + (NN) -9462 + (LL) -92
1D Compatibility (HY) -24000 + (ID) 8500
Total energy: -173273.0 ( -127.13 by residue)
QMean score : 0.713
(partial model without unconserved sides chains):
PDB file :
Tito_2Q21.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2Q21-query.scw
PDB file :
Tito_Scwrl_2Q21.pdb
: