Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRITGERIYLRPFQIIDANQKLAFHLANKAFFEGYSMERDDRFYTIEEQQSLISRLEDFAASDVEYYYGIFLNDTDELIGTINLFSILRESLQSAFIGYFLDKKHNGNGYATEAVQLIVDFGFDILGLHRIEAGVMPKNERSKQVLLKAGFHLEGLAVQNVRINGTWEDHQVLAIINPGD
3IGR Chain:A ((30-179))
---------------------------NRHHLAPWEPKRSHAFFTPEGWKQRLLQLVELHKHNLAFYFVVVDKNEHKIIGTVSYSNITRFPFHAGHVGYSLDSEYQGKGIMRRAVNVTIDWMFKAQNLHRIMAAYIPRNEKSAKVLAALGFVKEGEAKKYLYINGAWEDHILTSKIN---
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) -66358 for 989 contacts (-67.1/contact) +
2D Compatibility (PS) -16211 + (NN) -1617 + (LL) 2288
1D Compatibility (HY) -8800 + (ID) 2350
Total energy: -93048.0 ( -94.08 by residue)
QMean score : 0.378
(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
: