Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALSIKHPEADRLARALAARTGETLTEAVVTALRERLARETGRARVVPLRDELAAIRHRCAALPVVDNRSAEAILGYDERGLPA
4XGR Chain:B ((47-79))
----------------------------------------------VPLRDELAAIRHRCAALPVVDNRSAEAILGYDE-----
General information:
TITO was launched using:
RESULT:
Template:
4XGR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) 2057 for 118 contacts (17.4/contact) +
2D Compatibility (PS) -3574 + (NN) -1735 + (LL) 4692
1D Compatibility (HY) -4400 + (ID) 1650
Total energy: -4610.0 ( -39.07 by residue)
QMean score : 0.328
(partial model without unconserved sides chains):
PDB file :
Tito_4XGR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4XGR-query.scw
PDB file :
Tito_Scwrl_4XGR.pdb
: