Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-----------MSIEVGNKLQGKVTGITNFGAFVELEGGKTGLVHISEVADNYVKDINDILTVGDEVTVKVMNIG-DDGKIGLSIRKAVDRPDRP--EKSYDRKPKYNKKPAGNYVKPAESFEDIMSKFLKDSDERLTTIKRQTESKRGGRGAKRG----
4NNG Chain:A ((1-157))
NLYFQHMRHFARTHAIGQIVAGKVTKLVPFGAFVRVEEGIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANEDYTEEFDPAKYGMADSYDEQ--GNYIFP-EGFDAETNEWLEGFEKQRAEWEARYAEAERRHKMHTAQMEK
General information:
TITO was launched using:
RESULT:
Template:
4NNG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -9576 for 926 contacts (-10.3/contact) +
2D Compatibility (PS) -14323 + (NN) -601 + (LL) 148
1D Compatibility (HY) -8800 + (ID) 2050
Total energy: -35202.0 ( -38.02 by residue)
QMean score : 0.382
(partial model without unconserved sides chains):
PDB file :
Tito_4NNG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NNG-query.scw
PDB file :
Tito_Scwrl_4NNG.pdb
: