Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNMAEIKKDVAVIMGSESDYSTMIHAVDMLTELGILHDVFIISAHRTPERLFNFAQSAQEKGFRVIIAGAGGAAHLPGMVASLTCLPVIGVPVHSKQLNGLDSLLSIVQMPKGVPVATMSIGESGAYNAAIAAASVLSISNSEIADRLKKWRKEQTEVVKEKPASQ
2NSH Chain:A ((10-163))
----------VAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAQRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEVLENPDPR
General information:
TITO was launched using:
RESULT:
Template:
2NSH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149778 for 1266 contacts (-118.3/contact) +
2D Compatibility (PS) -16888 + (NN) -7049 + (LL) 1016
1D Compatibility (HY) -15600 + (ID) 4300
Total energy: -192599.0 ( -152.13 by residue)
QMean score : 0.681
(partial model without unconserved sides chains):
PDB file :
Tito_2NSH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NSH-query.scw
PDB file :
Tito_Scwrl_2NSH.pdb
: