Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKNWYVVHTYSGYENKVKANLEKRVESMGMQDKIFRVVVPEEEETDIKNGKKKVVKKKVFPGYVLVEIVMTDDSWYVVRNTPGVTGFVGSAGSGSKPTPLLPGEAETILKRMGMDERKTDIDFELKETVKVIDGPFANFTGSIEEIDYDKSKVKVFVNMFGRETPVELEFTQIDKL
1NPP Chain:D ((123-245))
------------------------------------------------KTEAKIVLDNKIFPGYILIKAHMNDKLLMAIEKTPHVFRPVMVGG---KPVPLKEEEVQNILNQIKRGVKPSKVEFEKGDQVRVIEGPFMNFTGTVEEVHPEKRKLTVMISIFGRMTPVELDFDQV---
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) -31712 for 626 contacts (-50.7/contact) +
2D Compatibility (PS) -13041 + (NN) 2389 + (LL) 3884
1D Compatibility (HY) -11600 + (ID) 2500
Total energy: -52580.0 ( -83.99 by residue)
QMean score : 0.447
(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
: