Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGDKLKGTVTGIRPYGAFVSLEDGRTGLIHISEIKTGYIDNIYDVLSVGDEVYVQVIDVDEFTQKASLSLRTLEEERHHIQHRHRFSNNRLKIGFKPLEENLPSWVEEGLAYLNNK
4NNG Chain:A ((16-91))
--IGQIVAGKVTKLVPFGAFVRVEEGIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANEDYTEEFDPAKYGMADSYDEQGNYIFPEGFDAETNEWLEGFE
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) -50873 for 536 contacts (-94.9/contact) +
2D Compatibility (PS) -7326 + (NN) 2967 + (LL) 272
1D Compatibility (HY) -6800 + (ID) 1600
Total energy: -63360.0 ( -118.21 by residue)
QMean score : 0.532
(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
: