Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGRSSRKDEILQAALACFSEHGVDATTIEMIRDRSGASIGSLYHHFGNKERIHGELYLAGIGQYAALLEAGFA--RARSAEETVRLLVTSYIDWVVANPDWARFILHSRGRVEAGELGERLRADNQAHFARIHAALAGYRAEGLFR-EMPDDCFASVVIGPAHDLARQWLAGRTR-VALADCRELLAQVAWDSVRAA
3Q0W Chain:A ((42-233))
--GDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATS--VEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGE
General information:
TITO was launched using:
RESULT:
Template:
3Q0W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94598 for 1353 contacts (-69.9/contact) +
2D Compatibility (PS) -20362 + (NN) -9300 + (LL) 284
1D Compatibility (HY) -3600 + (ID) 1600
Total energy: -129176.0 ( -95.47 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_3Q0W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3Q0W-query.scw
PDB file :
Tito_Scwrl_3Q0W.pdb
: