Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTKDAVAVVTGGASGLGLATTKRLLDAGAQVVVVDL---RGDDVVGGLGDRARFAQADVTDEAAVSNALELA-DSLGPVRVVVNCAGTGNAIRVL--SRDGVFPLAAFRKIVDINLVGTFNVLRLGAERIAKTEP-IGEERGVIINTASVAAFDGQIGQAAYSASKGGVVGMTLPIARDLASKLIRVVTIAPGLFDTPLLASLPAEAKASLGQQVPHPSRLGNPDEYGALVLHIIENPMLNGEVIRLDGAIRMAPR
1E3W Chain:D ((9-261))
---KGLVAVITGGASGLGLSTAKRLVGQGATAVLLDVPNSEGETEAKKLGGNCIFAPANVTSEKEVQAALTLAKEKFGRIDVAVNCAGIAVAIKTYHEKKNQVHTLEDFQRVINVNLIGTFNVIRLVAGVMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVVTIAPGLFATPLLTTLPDKVRNFLASQVPFPSRLGDPAEYAHLVQMVIENPFLNGEVIRLDGAIRMQP-
General information:
TITO was launched using:
RESULT:
Template:
1E3W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153481 for 2096 contacts (-73.2/contact) +
2D Compatibility (PS) -26485 + (NN) -10795 + (LL) 424
1D Compatibility (HY) -26000 + (ID) 7400
Total energy: -223737.0 ( -106.74 by residue)
QMean score : 0.549
(partial model without unconserved sides chains):
PDB file :
Tito_1E3W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1E3W-query.scw
PDB file :
Tito_Scwrl_1E3W.pdb
: