Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTMLKVENLSIHYGVIQAVNDVSFEVNQGEVVTLIGANGTGKTSILRTISGLVRPSQGSISFMGKPIHKLAARKIVGNGLAQVPEGRHVFSSLSVMENLEMGAFLQKDREQNQKMLKK---------VFDRFPRLEERKNQDAATLSGGEQQMLAMGRALMSRPKLLLLDEPSMGLAPIFIQEIFNIIEDIKKQGTTVLLVEQNANKALTIADKAYVLETGKVVLSGTGKELLVSDQVRKAYLGG
4WBS Chain:B ((38-277))
-SSLVVRNLKKRYGSRTVVKDVSLDVKSGEVVGLLGPNGAGKTTSFYMIVGLVPLDAGEIDLDGKSISLLPIHKRASLGLSYLPQEASVFRKLSVEENIR--AVLELQVG--GKRLSKDAIASRTEALLDELQISHLRENP-ALSLSGGERRRVEIARALATNPSFILLDEPFAGVDPIAVLEIQKIVKFLKQRNIGVLITDHNVRETLGICDHAYIISDGSVLAAGAPGDIIENESVRRVYLGE
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) -117368 for 1843 contacts (-63.7/contact) +
2D Compatibility (PS) -24723 + (NN) -7370 + (LL) 208
1D Compatibility (HY) -17600 + (ID) 4450
Total energy: -171303.0 ( -92.95 by residue)
QMean score : 0.627
(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
: