Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLLLGPPGAGKGTQAVKLAEKLGIPQISTGELFRRNIEEGTKLGVEAKRYLDAGDLVPSDLTNELVDDRL-NNPDAANGFILDGYPRSVEQAKALHEMLERRGTDIDAVLEFRVSEEVLLERLKGR-------------------------------GRADDTDDVILNRMKVYRDETAPLLEYYRDQ--LKTVDAVGTMDEVFARALRALGK
3AKY Chain:A ((5-219))
IRMVLIGPPGAGKGTQAPNLQERFHAAHLATGDMLRSQIAKGTQLGLEAKKIMDQGGLVSDDIMVNMIKDELTNNPACKNGFILDGFPRTIPQAEKLDQMLKEQGTPLEKAIELKVDDELLVARITGRLIHPASGRSYHKIFNPPKEDMKDDVTGEALVQRSDDNADALKKRLAAYHAQTEPIVDFYKKTGIWAGVDASQPPATVWADFLNKLGK
General information:
TITO was launched using:
RESULT:
Template:
3AKY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -57112 for 1403 contacts (-40.7/contact) +
2D Compatibility (PS) -20642 + (NN) -19165 + (LL) 0
1D Compatibility (HY) -16800 + (ID) 3850
Total energy: -117569.0 ( -83.80 by residue)
QMean score : 0.640
(partial model without unconserved sides chains):
PDB file :
Tito_3AKY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AKY-query.scw
PDB file :
Tito_Scwrl_3AKY.pdb
: