Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKKIFLLEDDYLLSESIKEFLEHLGYEVFCAFNGKEAHERLSVERFNLLLLDVQVPEMNSLELFKRIKNDFLISTPVIFITALQDNATLKNAFNLGASDYLKKPFDLDELEARIKRFFNDDPIEIMPNIFYHQHALNVKGKKEILAPKTAQLLEYFLEHKGQIISSQALENNLWEQAIDDSTLRTYIKVLRKLLGKNCIETHKGVGYRFNPL
3W9S Chain:B ((2-116))
---KILVIEDDALLLQGLILAMQSEGYVCDGVSTAHEAALSLASNHYSLIVLDLGLPDEDGLHFLSRMRREKM-TQPVLILTARDTLEDRISGLDTGADDYLVKPFALEELNARIRALLRR--------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3W9S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98741 for 886 contacts (-111.4/contact) +
2D Compatibility (PS) -12608 + (NN) -7711 + (LL) 7208
1D Compatibility (HY) -9600 + (ID) 1800
Total energy: -123252.0 ( -139.11 by residue)
QMean score : 0.757
(partial model without unconserved sides chains):
PDB file :
Tito_3W9S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3W9S-query.scw
PDB file :
Tito_Scwrl_3W9S.pdb
: