Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDRTDNVIDFARYRSRRQARRLGEMMWAVYAWRAGYAVPQPPARHDERSRRA
3WKN Chain:E ((25-36))
------------------AWHLGELVWATY----------------------
General information:
TITO was launched using:
RESULT:
Template:
3WKN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -338 for 35 contacts (-9.7/contact) +
2D Compatibility (PS) -1017 + (NN) 2106 + (LL) 2540
1D Compatibility (HY) -1600 + (ID) 350
Total energy: 1341.0 ( 38.31 by residue)
QMean score : -0.387
(partial model without unconserved sides chains):
PDB file :
Tito_3WKN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WKN-query.scw
PDB file :
Tito_Scwrl_3WKN.pdb
: