Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGTFDPIHYGHLVAASEVADLFDLDEVVFVPSGQPWQKGRQVSAAEHRYLMTVIATAS----NPRFSVSRVDIDRGGPTYTKDTLADLHA-LHPDSELYFTTGADALASIMSWQGWEELFELARFVGVSRPGYELRNEHITSLLGQLAKDALTLVEIPALAISSTDCRQRAEQSRPLWYLMPDGVVQYVSKCRLYCGACDAGARSTTSLAAGNGL
4WSO Chain:B ((55-189))
LGGTFDPIHDGHLALARRFADVLRLTELVLMPAGQPYQK-QDVSAAEHRLAMTRAAAGSLVLPGVAVSVATDEIEHAGPTYTVETLERWRERLGADASLSLLIGADQLVRLDTWRDWRRLFDFAHVCAATRPGFDF--------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4WSO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63254 for 922 contacts (-68.6/contact) +
2D Compatibility (PS) -14310 + (NN) -8691 + (LL) 5160
1D Compatibility (HY) -10800 + (ID) 2950
Total energy: -94845.0 ( -102.87 by residue)
QMean score : 0.440
(partial model without unconserved sides chains):
PDB file :
Tito_4WSO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WSO-query.scw
PDB file :
Tito_Scwrl_4WSO.pdb
: