Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPAVIGVIMGSTSDWDTMKKACDVLDELEIAYEKKVVSAHRTPDLMFQYAEQARERGLKIIIAGAGGAAHLPGMVAAKTTLPVIGVPIKSKALNGMDSLLSIVQMPGGVPVATVAIGESGAVNAGLLAAQILSITDDAITNRLQKRRATLEETVLESSDYLG
2NSJ Chain:A ((7-167))
-PARVAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAQRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEVLENPDPRG
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) -122267 for 1310 contacts (-93.3/contact) +
2D Compatibility (PS) -17547 + (NN) -6847 + (LL) 208
1D Compatibility (HY) -14800 + (ID) 4450
Total energy: -165703.0 ( -126.49 by residue)
QMean score : 0.607
(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
: