Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTAFDLEDFLTTAITDYAKEKVEAGTWDEEES---LAKSQDSF-NKLLYDGITTPNEYLYSIISGEKIGYIWFHV----------DETRSGKHAFIYDFVIFEAFR-GKGFGTKTLAAL-DVLAKEMQITKIGLHVFAHNQTAIGLYNKVGFQNTDITMAKYL
2BUE Chain:A ((52-174))
--------------------------WGGEEARPTLADVQEQYLPSVLAQESVTP--YI-AMLNGEPIGYAQSYVALGSGDGWWEEETDPGVRGI--DQLLANASQLGKGLGTKLVRALVELLFNDPEVTKIQTDPSPSNLRAIRCYEKAGFER---------
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) -53010 for 629 contacts (-84.3/contact) +
2D Compatibility (PS) -11523 + (NN) -3102 + (LL) 3516
1D Compatibility (HY) -5200 + (ID) 2000
Total energy: -71319.0 ( -113.38 by residue)
QMean score : 0.402
(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
: