Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIEVGNKLQGKVTGITNFGAFVELEGGKTGLVHISEVADNYVKDINDILTVGDEVTVKVMNIG-DDGKIGLSIRKAVDRPDRPEK----SYDRKPKYNKKPAGNYVKPAESFEDIMSKFLKDSD-ERLTTIKRQTESKRGGRGAKRG
4NNG Chain:A ((16-146))
----IGQIVAGKVTKLVPFGAFVRVEEGIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQA--NEDYTEEFDPAKYGMADSYDEQ--GNYIFP-EGFDAETNEWLEGFEKQRAEWEARYAEAER--------
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) -22837 for 793 contacts (-28.8/contact) +
2D Compatibility (PS) -12999 + (NN) -1085 + (LL) 472
1D Compatibility (HY) -9200 + (ID) 2350
Total energy: -47999.0 ( -60.53 by residue)
QMean score : 0.429
(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
: