Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAHFLKIVFLVGMCVSSLFAEGLEGFFNALEAQLKSPIAKGILMVIFIGIAIYVWRNLDRWKEILFTILGVVFGIFLFFKAPSLANWFMGVF
2WSS Chain:D ((16-43))
------RIVAVIGAVVDVQFDEGLPPILNALEVQGRETRLVLEVAQHLGESTVRTIAMDGTEGLVRGQKVLDSGAPIRIPVGPETLGRIMNVI
General information:
TITO was launched using:
RESULT:
Template:
2WSS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -6296 for 97 contacts (-64.9/contact) +
2D Compatibility (PS) -2699 + (NN) 3301 + (LL) 676
1D Compatibility (HY) -3200 + (ID) 650
Total energy: -8868.0 ( -91.42 by residue)
QMean score : -0.191
(partial model without unconserved sides chains):
PDB file :
Tito_2WSS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WSS-query.scw
PDB file :
Tito_Scwrl_2WSS.pdb
: