Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKMKTNRGASKRFKVKKNLIKRGSAFKSHILTKKSPKRKANLNAPKHVHHTNAHSVMSLLCRA
2KWY Chain:A ((1-43))
---------------------MDNAGGVGELEKKAEAGVQGELAEIKKIAEKKKDDVVKILIET
General information:
TITO was launched using:
RESULT:
Template:
2KWY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) 7808 for 180 contacts (43.4/contact) +
2D Compatibility (PS) -4356 + (NN) -621 + (LL) 1400
1D Compatibility (HY) -2400 + (ID) 250
Total energy: 1581.0 ( 8.78 by residue)
QMean score : 0.291
(partial model without unconserved sides chains):
PDB file :
Tito_2KWY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KWY-query.scw
PDB file :
Tito_Scwrl_2KWY.pdb
: