Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLITAIVKPFTLDDVKTSLEDAGVLGMTVSEIQGYGRQKGHTEVYRGAEYSVDFVPKVRIEVVVDDSIVDKVVDSIVRAARTGKIGDGKVWVSPVDTIVRVRTGERGHDAL
2NS1 Chain:B ((5-116))
MKLVTVIIKPFKLEDVREALSSIGIQGLTVTEVKGFGRQKGHAELYRGAEFSVNFLPKVKIDVAIADDQLDEVIDIVSKAAYTGKIGDGKIFVAELQRVIRIRTGEADEAAL
General information:
TITO was launched using:
RESULT:
Template:
2NS1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58551 for 714 contacts (-82.0/contact) +
2D Compatibility (PS) -12101 + (NN) -1746 + (LL) 0
1D Compatibility (HY) -13200 + (ID) 3000
Total energy: -88598.0 ( -124.09 by residue)
QMean score : 0.538
(partial model without unconserved sides chains):
PDB file :
Tito_2NS1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NS1-query.scw
PDB file :
Tito_Scwrl_2NS1.pdb
: