Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKCLLLALALTCGAQALIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
3NQ3 Chain:A ((1-162))
----------------LIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
General information:
TITO was launched using:
RESULT:
Template:
3NQ3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109276 for 1231 contacts (-88.8/contact) +
2D Compatibility (PS) -16488 + (NN) 3345 + (LL) 1840
1D Compatibility (HY) -24000 + (ID) 8100
Total energy: -152679.0 ( -124.03 by residue)
QMean score : 0.432
(partial model without unconserved sides chains):
PDB file :
Tito_3NQ3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NQ3-query.scw
PDB file :
Tito_Scwrl_3NQ3.pdb
: