Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTS-----PETWVIGGGQVYALALPYATRCEVTEV------DIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS
4DFR Chain:A ((1-159))
MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIG---RPLPGRKNIILSSQP-GTDDRVTWVKSVDEAIAACGDVP-EIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFS------EFHDADAQNSHSYCFKILERR
General information:
TITO was launched using:
RESULT:
Template:
4DFR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -84618 for 1067 contacts (-79.3/contact) +
2D Compatibility (PS) -16335 + (NN) -8247 + (LL) 528
1D Compatibility (HY) -11600 + (ID) 2700
Total energy: -122972.0 ( -115.25 by residue)
QMean score : 0.599
(partial model without unconserved sides chains):
PDB file :
Tito_4DFR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DFR-query.scw
PDB file :
Tito_Scwrl_4DFR.pdb
: