Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDNALVRLTQVGVSFNGQAVLSDVDLAIEPGQIVTLIGPNGAGKTTLVRSVLGLLKPHVGEV------------WRRPRLTIGYMPQKLHVDATLPL-----SVLRF----LRLVPGVKREQALAALREVGAAHVLERPLQSISGGELQRVLLARALLRKPELLVLDEPVQGVDVAGQAELYRLIGKLRDRYGCGVLMVSHDLHLVMSATDQVVCLNR-HVCCSGHPEQVSGDPAFVELFGQDARSLAIYHHHHDHAHDLHGEVVKAGPGALPPGTRFTPVHKHGPDCNHG
4WBS Chain:B ((49-262))
--------------YGSRTVVKDVSLDVKSGEVVGLLGPNGAGKTTSFYMIVGLVPLDAGEIDLDGKSISLLPIHKRASLGLSYLPQEASVFRKLSVEENIRAVLELQVGGKRLSKDAIASRTEALLDELQISHLRENPALSLSGGERRRVEIARALATNPSFILLDEPFAGVDPIAVLEIQKIVKFLKQR-NIGVLITDHNVRETLGICDHAYIISDGSVLAAGAP----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4WBS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139847 for 1387 contacts (-100.8/contact) +
2D Compatibility (PS) -20872 + (NN) -12040 + (LL) 3256
1D Compatibility (HY) -14000 + (ID) 3350
Total energy: -186853.0 ( -134.72 by residue)
QMean score : 0.600
(partial model without unconserved sides chains):
PDB file :
Tito_4WBS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WBS-query.scw
PDB file :
Tito_Scwrl_4WBS.pdb
: