Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERAFFMQQALEEAEKARDIGEVPIGAVVVLDGEIIGRAHNLRETSQNAVTHAELLAIQDACKHQNSWRLSGAELYVTLEPCPMCSGAILLSRIEKVYYGAKDPKAGTAGSLMNLLQDDRFNHTCEVEAGLMESESSEMLKSFFQELRKRNKSNRS
1WWR Chain:A ((22-170))
-GKEYFLKVALREAKRAFEKGEVPVGAIIVKEGEIISKAHNSVEELKDPTAHAEMLAIKEACRRLNTKYLEGCELYVTLEPCIMCSYALVLSRIEKVIFSALDKKHGGVVSVFNILDEPTLNHRVKWEYYPL-EEASELLSEFFKKLRNNI-----
General information:
TITO was launched using:
RESULT:
Template:
1WWR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74625 for 1266 contacts (-58.9/contact) +
2D Compatibility (PS) -16429 + (NN) -8960 + (LL) 340
1D Compatibility (HY) -14800 + (ID) 3500
Total energy: -117974.0 ( -93.19 by residue)
QMean score : 0.574
(partial model without unconserved sides chains):
PDB file :
Tito_1WWR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WWR-query.scw
PDB file :
Tito_Scwrl_1WWR.pdb
: