Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDPAEVPTASPLLETVGLACERDWRMLFERLDLRLAAGEMLQVVGPNGSGKTSLLRLLSGLMQPTAGEVRLNGRPLA----EQRGELARSLLWIGHAAGIKGLLSAEENLTWLCALH-----QPASREAI---WQALAD-VGLRGFEDVPCHTLSAGQQRRVALARLYLDAPPLWILDEPFTALDKQGVAQLETHLAGHCQRGGMVVLTTHHSLQQVPAGYRELDLGALKAASGATVEPALGDPA
4WBS Chain:A ((52-237))
-------------------------RTVVKDVSLDVKSGEVVGLLGPNGAGKTTSFYMIVGLVPLDAGEIDLDGKSISLLPIHKRASLGLS--YLPQEASVFRKLSVEENIRAVLELQVGDDGKRLSKDAIASRTEALLDELQISHLRENPALSLSGGERRRVEIARALATNPSFILLDEPFAGVDPIAVLEIQKIVKFLKQRNIGVLITDHNVRETLGICDHAYIISDGSVLAAGAPGDIIENES
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) -98927 for 1215 contacts (-81.4/contact) +
2D Compatibility (PS) -19111 + (NN) -13219 + (LL) 1832
1D Compatibility (HY) -14400 + (ID) 2800
Total energy: -146625.0 ( -120.68 by residue)
QMean score : 0.537
(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
: