Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKFFNQFFENIGEDKNREGLKETPKRVQELWKFLYKGYKEDPRVALKSAYFQGVCDEMIVAQNIEFYSTCEHHLLPFFGNISVGYIPKEKIVGISAIAKLIEIYSKRLQIQERLTTQIAETFDEIIEPRGVIVVCEAKHLCMSMQGVQKQNAIIKTSVLRGLFKKDPKTRAEFMQLLKS
1WPL Chain:A ((55-230))
----YSSILRSLGEDPQRQGLLKTPWRAATAMQFFTKGYQETISDVLNDAIFDEDHDEMVIVKDIDMFSMCEHHLVPFVGRVHIGYLPNKQVLGLSKLARIVEIYSRRLQVQERLTKQIAVAITEALQPAGVGVVIEATHMCMVMRGVQKMNSKTVTSTMLGVFREDPKTREEFLTLIRS
General information:
TITO was launched using:
RESULT:
Template:
1WPL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101787 for 1314 contacts (-77.5/contact) +
2D Compatibility (PS) -19063 + (NN) -5970 + (LL) 508
1D Compatibility (HY) -18400 + (ID) 4050
Total energy: -148762.0 ( -113.21 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_1WPL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WPL-query.scw
PDB file :
Tito_Scwrl_1WPL.pdb
: