Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKCLLLALALTCGAQALIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
2GJ5 Chain:A ((2-162))
-----------------IVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
General information:
TITO was launched using:
RESULT:
Template:
2GJ5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102729 for 1200 contacts (-85.6/contact) +
2D Compatibility (PS) -16323 + (NN) 2020 + (LL) 2016
1D Compatibility (HY) -23600 + (ID) 8050
Total energy: -146666.0 ( -122.22 by residue)
QMean score : 0.430
(partial model without unconserved sides chains):
PDB file :
Tito_2GJ5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GJ5-query.scw
PDB file :
Tito_Scwrl_2GJ5.pdb
: