Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHESIEKNLNFVKKLNNVNDSVLKIENLALAYDNKKVLDGINISIEKGDIVTILGPNGGGKTSLMKVVAGISKNYTGSVIF------------ADNIKISYMPQNFSISKLMPI-----TVEYFLLNSFSKKLKKNQ--SVITEVIELVGIGSILKNQVLEISAGQMQLLLLAHCLIAEPDLIILDEPVSAMDINARAKFYDIIGEIAKKRLISILMTSHDLSSIVPCSDYIICI-NHTIYCQGKPGKIMEDRTLGEIFSSYIAK
4WBS Chain:A ((38-275))
---------------------SSLVVRNLKKRYGSRTVVKDVSLDVKSGEVVGLLGPNGAGKTTSFYMIVGLVPLDAGEIDLDGKSISLLPIHKRASLGLSYLPQEASVFRKLSVEENIRAVLELQVGDDGKRLSKDAIASRTEALLDELQISHLRENPALSLSGGERRRVEIARALATNPSFILLDEPFAGVDPIAVLEIQKIV-KFLKQRNIGVLITDHNVRETLGICDHAYIISDGSVLAAGAPGDIIENESVRRVYLGEHFR
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) -209845 for 1675 contacts (-125.3/contact) +
2D Compatibility (PS) -23622 + (NN) -8655 + (LL) 1020
1D Compatibility (HY) -16000 + (ID) 2850
Total energy: -259952.0 ( -155.20 by residue)
QMean score : 0.446
(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
: