Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MISGYKNHDLETFDDIFDSVFKIVYFQDKQLHEILDSGEISKVLEILEIPHPSGKSFFLKEYLQK--QVCRKKRAITQNSFRHFHTTIFSTTYKHFS
3IED Chain:A ((17-73))
-----------------------LYFQGSPVEKYNFKAEVNKVMDIIVNSLYTDKDVFLRELISNASDACDKKRIILENNKLIKDAEVNDIKKLIIK
General information:
TITO was launched using:
RESULT:
Template:
3IED.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) 6334 for 194 contacts (32.6/contact) +
2D Compatibility (PS) -6005 + (NN) -3903 + (LL) 1392
1D Compatibility (HY) -5600 + (ID) 850
Total energy: -8632.0 ( -44.49 by residue)
QMean score : 0.143
(partial model without unconserved sides chains):
PDB file :
Tito_3IED.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IED-query.scw
PDB file :
Tito_Scwrl_3IED.pdb
: