Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MELGNKNIKPGRKRVAVDELKRNFSVTFYLSKEEHDVLRRLADEEVESVNSFVKRHILKTIIYKKGTNQDSSINCDSSSRL
1NLA Chain:A ((5-45))
--------------------SKMPQFLNRWPREVLDLVRKVAEENGRSVNSEIYQRVMESFKKEGRIGA------------
General information:
TITO was launched using:
RESULT:
Template:
1NLA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -8631 for 208 contacts (-41.5/contact) +
2D Compatibility (PS) -4261 + (NN) -333 + (LL) 1588
1D Compatibility (HY) -2000 + (ID) 450
Total energy: -14087.0 ( -67.73 by residue)
QMean score : 0.481
(partial model without unconserved sides chains):
PDB file :
Tito_1NLA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NLA-query.scw
PDB file :
Tito_Scwrl_1NLA.pdb
: