Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPSIRYIVKT-------DVAETFEIIKAGQVGSNIVF-------SEVRTFDFGELATL--ACEKFYFR------------SSNRAALFVTINNFHGETEVTIISTGSSNGFFTGIDWG-AAFDYMHSVVADLKRVAIREVAIEKQEEI
2NRR Chain:A ((344-494))
MEALEELMKLLNMKDFPYRIEGIDISHLYTVASLVVFEDGFPKKGDYRRYKIDDYESIRTVVKRRYSKHPLPNLLFVDGGIGQVNAAIEALKEIGKDCPVVGLATVVFENREIHLPHDHPVLRLLVQIRDETHRFAVSY---------
General information:
TITO was launched using:
RESULT:
Template:
2NRR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -46484 for 710 contacts (-65.5/contact) +
2D Compatibility (PS) -12483 + (NN) -7952 + (LL) 1240
1D Compatibility (HY) -6400 + (ID) 750
Total energy: -72829.0 ( -102.58 by residue)
QMean score : 0.160
(partial model without unconserved sides chains):
PDB file :
Tito_2NRR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NRR-query.scw
PDB file :
Tito_Scwrl_2NRR.pdb
: