Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKVAVIMGSSSDWKIMQESCNMLDYFEIPYEKQVVSAHRTPKMMVQFASEARERGINIIIAGAGGAAHLPGMVASLTTLPVIGVPIETKSLKGIDSLLSIVQMPGGIPVATTAIGAAGAKNAGILAARMLSIQNPSLVEKLNQYESSLIQKVEDMQNELQ
2NSH Chain:A ((9-159))
-RVAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAQRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEV--------
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) -117218 for 1264 contacts (-92.7/contact) +
2D Compatibility (PS) -16153 + (NN) -4698 + (LL) 884
1D Compatibility (HY) -14800 + (ID) 3800
Total energy: -155785.0 ( -123.25 by residue)
QMean score : 0.557
(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
: