Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAALLEFREVDVFYGPIQALKKVSLQVNEGETVSLIGANGAGKSTLLMSIFGQPRAAAGQILYRGQDIRQKSAHYVASNGIAQSPEGRRVFPDMSVEENL-LMGTIPIGMD----HAEEDMQRMFELFPRLK--ERRNQRAMTMSGGEQQMLAIARALMSRPKLLLLDEPSLGLAPIVVKQIFQTLRELARSGMTIFLVEQNANHALKLSDRAYVMVTGEIRMSGSGEELLGNQEVRNAYLGGH
4WBS Chain:A ((37-279))
--SSSLVVRNLKKRYGSRTVVKDVSLDVKSGEVVGLLGPNGAGKTTSFYMIVGLVPLDAGEIDLDGKSISLLPIHKRASLGLSYLPQEASVFRKLSVEENIRAVLELQVGDDGKRLSKDAIASRTEALLDELQISHLRENPALSLSGGERRRVEIARALATNPSFILLDEPFAGVDPIAVLEIQKIVKFLKQRNIGVLITDHNVRETLGICDHAYIISDGSVLAAGAPGDIIENESVRRVYLGEH
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) -116073 for 1870 contacts (-62.1/contact) +
2D Compatibility (PS) -26177 + (NN) -16139 + (LL) 180
1D Compatibility (HY) -15600 + (ID) 4050
Total energy: -177859.0 ( -95.11 by residue)
QMean score : 0.513
(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
: