Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MICQRCGENKAVIALQQLNELGKVESLYLCENCATDEALSSEKDLVKAMDTFSEVALDFLTLLQKEENTQKEVVCENCQLSFEEFLKTNRVGCPECYSAFEAQLVPIIGRVQNGYKKHIGKVPAEVERAEGVQNEISRLQEKLAKLVKNEEFEEAAVVRDEIKALKAGGEDK
3NUH Chain:A ((261-308))
----------------------------------------------------------------------------------------------------------------------VHEIPYQVNKA--------RLIEKIAELVKEKRVEGISALRDE-----------
General information:
TITO was launched using:
RESULT:
Template:
3NUH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -5347 for 142 contacts (-37.7/contact) +
2D Compatibility (PS) -3807 + (NN) -3079 + (LL) 10476
1D Compatibility (HY) -3200 + (ID) 750
Total energy: -5707.0 ( -40.19 by residue)
QMean score : 0.501
(partial model without unconserved sides chains):
PDB file :
Tito_3NUH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NUH-query.scw
PDB file :
Tito_Scwrl_3NUH.pdb
: