Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRITGERIYLRPFQIIDANQKLAFHLANKAFFEGYSMERDDRFYTIEEQQSLISRLEDFAASDVEYYYGIFLNDTDELIGTINLFSILRESLQSAFIGYFLDKKHNGNGYATEAVQLIVDFGFDILGLHRIEAGVMPKNERSKQVLLKAGFHLEGLAVQNVRINGTWEDHQVLAIINPGD
3IGR Chain:A ((4-182))
-SFEFEHYQVRLIKSSDAVTIANYFMRNRHHLAPWEPKRSHAFFTPEGWKQRLLQLVELHKHNLAFYFVVVDKNEHKIIGTVSYSNITRFPFHAGHVGYSLDSEYQGKGIMRRAVNVTIDWMFKAQNLHRIMAAYIPRNEKSAKVLAALGFVKEGEAKKYLYINGAWEDHILTSKINDDW
General information:
TITO was launched using:
RESULT:
Template:
3IGR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86990 for 1302 contacts (-66.8/contact) +
2D Compatibility (PS) -19548 + (NN) -6955 + (LL) 208
1D Compatibility (HY) -9600 + (ID) 2550
Total energy: -125435.0 ( -96.34 by residue)
QMean score : 0.482
(partial model without unconserved sides chains):
PDB file :
Tito_3IGR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IGR-query.scw
PDB file :
Tito_Scwrl_3IGR.pdb
: