Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDPAEVPTASPLLETVGLACERDWRMLFERLDLRLAAGEMLQVVGPNGSGKTSLLRLLSGLMQPTAGEVRLNGRPLAEQRGELARSLLWIGHAAGIKGLLSAEENLTWLCALHQPASREAIWQALADVGLRGFEDVPCHTLSAGQQRRVALARLYLDAPPLWILDEPFTALDKQGVAQLETHLAGHCQ-RGGMVVLTTHHSLQQVPAGYRELDLGALKAASGATVEPALGDPA
3D31 Chain:A ((2-220))
-------------IEIESLSRKWKN-FSLDNLSLKVESGEYFVILGPTGAGKTLFLELIAGFHVPDSGRILLDGKDVTDL-SPEKHDIAFVYQNYSLFPHMNVKKNLEFGMRMKKIKDPKRVLDTARDLKIEHLLDRNPLTLSGGEQQRVALARALVTNPKILLLDEPLSALDPRTQENAREMLSVLHKKNKLTVLHITHDQTEARIMADRIAVVMDGKLIQVGKPEEIFEKPV
General information:
TITO was launched using:
RESULT:
Template:
3D31.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125280 for 1750 contacts (-71.6/contact) +
2D Compatibility (PS) -23663 + (NN) -13446 + (LL) 668
1D Compatibility (HY) -10000 + (ID) 2500
Total energy: -174221.0 ( -99.55 by residue)
QMean score : 0.408
(partial model without unconserved sides chains):
PDB file :
Tito_3D31.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3D31-query.scw
PDB file :
Tito_Scwrl_3D31.pdb
: