Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
M-LHDRLTGAPRGATGDEGAANAHITRAMVAALTSVATQIKTLDAQIAEQLSLHADAHIFTSLPRSGTVRAARLLAEIGDCRARFPTPESLACLAGVAPSTRQSGKVKHVGFRWAADKQLRDAVCDFAGDSRRANLWAADRYNRAIARGHDHPHAVRILARAWLYAIWHCWQDGAAYHPANHRALQALLNQDQDRAA
1WPI Chain:A ((1-133))
MSFWKTLQRQPRTISLFTNDIASNIKSQKCLQLLKGDVS-HRFDVEIANRFPTWDQLQYMRTSCPQGPVSLQRQIPKLDSVLKYKHTDPTFG-----------------------------------------------MDLQKCVQRGLWNPKE----------ALWVDWENKLVGN--EPADIDKYIIQRK----
General information:
TITO was launched using:
RESULT:
Template:
1WPI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -41380 for 1079 contacts (-38.4/contact) +
2D Compatibility (PS) -13226 + (NN) 869 + (LL) 5016
1D Compatibility (HY) -6400 + (ID) 1000
Total energy: -56121.0 ( -52.01 by residue)
QMean score : 0.208
(partial model without unconserved sides chains):
PDB file :
Tito_1WPI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WPI-query.scw
PDB file :
Tito_Scwrl_1WPI.pdb
: