Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKNWYVVHTYSGYENKVKANLEKRVESMGMQDKIFRVVVPEEEETDIKNGKKKVVKKKVFPGYVLVEIVMTDDSWYVVRNTPGVTGFVGSAGSGSKPTPLLPGEAETILKRMGMDERKTDIDFELKETVKVIDGPFANFTGSIEEIDYDKSKVKVFVNMFGRETPVELEFTQIDKL
1NPP Chain:A ((123-248))
------------------------------------------------KTEAKIVLDNKIFPGYILIKAHMNDKLLMAIEKTPHVFRPVMVGG---KPVPLKEEEVQNILNQIKRGVKPSKVEFEKGDQVRVIEGPFMNFTGTVEEVHPEKRKLTVMISIFGRMTPVELDFDQVEKI
General information:
TITO was launched using:
RESULT:
Template:
1NPP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38990 for 659 contacts (-59.2/contact) +
2D Compatibility (PS) -13567 + (NN) -2343 + (LL) 3720
1D Compatibility (HY) -12000 + (ID) 2550
Total energy: -65730.0 ( -99.74 by residue)
QMean score : 0.476
(partial model without unconserved sides chains):
PDB file :
Tito_1NPP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NPP-query.scw
PDB file :
Tito_Scwrl_1NPP.pdb
: