Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSALVGVIMGSKSDWSTLSHTADMLDKLGIPYEVKVVSAHRTPDLLFQYAEEAEGRGLEVIIAGAGGAAHLPGMCAAKTHLPVLGVPVQSSMLSGVDSLLSIVQMPAGVPVATLAIGKAGAVNAALLSASILGAKHPQYHEALKQFRANQTETVLDNPDPRDA
2NSH Chain:A ((8-168))
--ARVAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAQRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEVLENPDPRGA
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) -122478 for 1304 contacts (-93.9/contact) +
2D Compatibility (PS) -17557 + (NN) -7983 + (LL) 180
1D Compatibility (HY) -17200 + (ID) 5150
Total energy: -170188.0 ( -130.51 by residue)
QMean score : 0.630
(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
: