Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSYRKLGRTSAQRKAMLRDLTTDLIINERIETTETRAKELRSVVEKMITLGKRGDLHARRQAAAYIRN-EVANE-ENNQDALQKLFSDIATRYEERQGGYTRIMKLGPRRGDGAPMAIIELV
4WFA Chain:K ((4-122))
---RKLGRTSDQRKAMLRDLATSLIISERIETTEARAKEVRSVVEKLITLGKKGDLASRRNAAKTLRNVEILNEDETTQTALQKLFGEIAERYTERQGGYTRILKQGPRRGDGAESVIIELV
General information:
TITO was launched using:
RESULT:
Template:
4WFA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -35409 for 827 contacts (-42.8/contact) +
2D Compatibility (PS) -12821 + (NN) -5057 + (LL) 272
1D Compatibility (HY) -10400 + (ID) 4450
Total energy: -67865.0 ( -82.06 by residue)
QMean score : 0.592
(partial model without unconserved sides chains):
PDB file :
Tito_4WFA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WFA-query.scw
PDB file :
Tito_Scwrl_4WFA.pdb
: