Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNMAEIKKDVAVIMGSESDYSTMIHAVDMLTELGILHDVFIISAHRTPERLFNFAQSAQEKGFRVIIAGAGGAAHLPGMVASLTCLPVIGVPVHSKQLNGLDSLLSIVQMPKGVPVATMSIGESGAYNAAIAAASVLSISNSEIADRLKKWRKEQTEVVKEKPASQ
2NSJ Chain:A ((10-163))
----------VAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAQRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEVLENPDPR
General information:
TITO was launched using:
RESULT:
Template:
2NSJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149519 for 1268 contacts (-117.9/contact) +
2D Compatibility (PS) -16784 + (NN) -6385 + (LL) 1016
1D Compatibility (HY) -15600 + (ID) 4300
Total energy: -191572.0 ( -151.08 by residue)
QMean score : 0.676
(partial model without unconserved sides chains):
PDB file :
Tito_2NSJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NSJ-query.scw
PDB file :
Tito_Scwrl_2NSJ.pdb
: