Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTAFDLEDFLTTAITDYAKEKVEAGTWDEEESLAKSQDSFNKLLYDGITTPNEYLYSIIS-GEKIGYIWFHVDET---------RSGKHAFIYDFVIFEAFRGKGFGTKTLAALDVLAKE-MQITKIGLHVFAHNQTAIGLYNKVGFQNTDITMAKYL
2BUE Chain:A ((79-177))
-----------------------------------------------------TPYIAMLNGEPIGYAQSYVALGSGDGWWEEETDPGVRGIDQLLANASQLGKGLGTKLVRALVELLFNDPEVTKIQTDPSPSNLRAIRCYEKAGFERQGT------
General information:
TITO was launched using:
RESULT:
Template:
2BUE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64525 for 547 contacts (-118.0/contact) +
2D Compatibility (PS) -9348 + (NN) -1921 + (LL) 4164
1D Compatibility (HY) 0 + (ID) 1350
Total energy: -72980.0 ( -133.42 by residue)
QMean score : 0.393
(partial model without unconserved sides chains):
PDB file :
Tito_2BUE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BUE-query.scw
PDB file :
Tito_Scwrl_2BUE.pdb
: