Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPADGEAARRADLLKAFLAQRQRMESLVSRWVGCRATAADLVQELFLRFWRRPAAPVEELGSYLLRSARNLAIDHLRGEGSRQRQLDDWLPEQRQGEPVGPEQALEAGDQWRRVEAALRGLPERTRRIFLLNRIHGRTYAEIAQAMQLSQSAVEKHMMRALDACKASLAGPAGEQARSAQP
3HUG Chain:A ((16-90))
--------------------------------------------------------------------------------------------------QSTPDEVNAALDRLLIADALAQLSAEHRAVIQRSYYRGWSTAQIATDLGIAEGTVKSRLHYAVRALRLTLQELGVTR------
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) -25867 for 471 contacts (-54.9/contact) +
2D Compatibility (PS) -8717 + (NN) -6566 + (LL) 8244
1D Compatibility (HY) -3600 + (ID) 650
Total energy: -37156.0 ( -78.89 by residue)
QMean score : 0.638
(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
: