Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGQNDLVKTLRMNYLFDFYQSLLTNKQRNYLELFYLEDYSLSEIADTFNVSRQAVYDNIRRTGDLVEDYEKKLELYQKFEQRREIYDEMKQHLSNPEQIQRYIQQLEDLE
3HUG Chain:A ((24-89))
-------AALDRLLIADALAQ-LSAEHRAVIQRSYYRGWSTAQIATDLGIAEGTVKSRLHYAVRALRLTLQELG------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3HUG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -24911 for 419 contacts (-59.5/contact) +
2D Compatibility (PS) -6942 + (NN) 158 + (LL) 4012
1D Compatibility (HY) -3200 + (ID) 500
Total energy: -31383.0 ( -74.90 by residue)
QMean score : 0.543
(partial model without unconserved sides chains):
PDB file :
Tito_3HUG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HUG-query.scw
PDB file :
Tito_Scwrl_3HUG.pdb
: