Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGTFDPIHYGHLVAASEVADLFDLDEVVFVPSGQPWQKGRQVSAAEHRYLMTVIATAS----NPRFSVSRVDIDRGGPTYTKDTLADLHA-LHPDSELYFTTGADALASIMSWQGWEELFELARFVGVSRPGYELRNEHITSLLGQLAKDALTLVEIPALAISSTDCRQRAEQSRPLWYLMPDGVVQYVSKCRLYCGACDAGARSTTSLAAGNGL
4WSO Chain:A ((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) -65697 for 911 contacts (-72.1/contact) +
2D Compatibility (PS) -14278 + (NN) -8122 + (LL) 5160
1D Compatibility (HY) -10800 + (ID) 2950
Total energy: -96687.0 ( -106.13 by residue)
QMean score : 0.451
(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
: