Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIENRVFLVTGGSSGLGAATAKMLVEQGGKVVLADINAEAGAAKAAELGAQARFVRADIASEADGRQAVAAALEAFGGLHGLANCAGVAPAEKVL--GRNGIHALESFRRVIDINLVGSFNMLRLAAEAMSQGQPDEGGERGVIVNTASVAAFDGQIGQAAYSASKSGVVGMTLPIARELARFGIRVMTIAPGIFETPMMAGMPQEVRDSLGASVPFPPRLGRPDEYAALVRQIIENSMLNGEVIRLDGAIRMAAR
1E3S Chain:D ((8-259))
--VKGLVAVITGGASGLGLSTAKRLVGQGATAVLLDVPNSEGETEAKKLGGNCIFAPANVTSEKEVQAALTLAKEKFGRIDVAVNCAGIAVAIKTYHEKKNQVHTLEDFQRVINVNLIGTFNVIRLVAGVMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVVTIAPGLFATP--------------SQVPFPSRLGDPAEYAHLVQMVIENPFLNGEVIRLDGAIRM---
General information:
TITO was launched using:
RESULT:
Template:
1E3S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125448 for 1959 contacts (-64.0/contact) +
2D Compatibility (PS) -25913 + (NN) -10913 + (LL) 1568
1D Compatibility (HY) -24000 + (ID) 6850
Total energy: -191556.0 ( -97.78 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_1E3S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1E3S-query.scw
PDB file :
Tito_Scwrl_1E3S.pdb
: