Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGRSSRKDEILQAALACFSEHGVDATTIEMIRDRSGASIGSLYHHFGNKERIHGELYLAGIGQYAALLEAGFA-RARSAEETVRLLVTSYIDWVVANPDWARFILHSRGRVEAGELGERLRADNQAHFARIHAALAGYRAEGLFREMPDDCFASVVIGPAHDLARQWLA-----GRTR---VALADCRELLAQVAWDSVRAA
2QTQ Chain:A ((13-211))
-ETPGARDLLLQTASNIMREGDVVDISLSELSLRSGLNSALVKYYFGNKAGLLKALLDRDMENIVKSVDALLAKDDMSPEAKLRRHISKCIDTYYDYPYLNRLLMRLVRDSDEAEAKRIADQYLLPLHRAYNRFIGEGVKAGVFRPINPQLFYFTVTGAADRFFSARLVLKHCFDQDTLTEQLRDSYREHTVDFIMAGILAH
General information:
TITO was launched using:
RESULT:
Template:
2QTQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -84945 for 1363 contacts (-62.3/contact) +
2D Compatibility (PS) -21063 + (NN) -11959 + (LL) 208
1D Compatibility (HY) -7600 + (ID) 1700
Total energy: -127059.0 ( -93.22 by residue)
QMean score : 0.482
(partial model without unconserved sides chains):
PDB file :
Tito_2QTQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2QTQ-query.scw
PDB file :
Tito_Scwrl_2QTQ.pdb
: