Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKTYRVK---SDKDFQMIFSRGKNVANRK-----------FVIYYLEKEQKHFRVGISVSKKLGNAVVRNAIKRKIRHVLLSQKTALQDYD----------------FVVIARKGVEELNYQALEKNLIHVLKIAGLI
2KKU Chain:A ((1-139))
MSKIVGVTYPIPKRFMDRFFKKGKDVFVKPATVWKELKPGMKFVFYQSHEDTGFVGEARIKRVVLSENPMQFFETFGDRVFLTKDELKEYMKSQERWGRRRESKKKKLWMAIELEDVKKYDKPIKPKRLVPVGGQYLRE
General information:
TITO was launched using:
RESULT:
Template:
2KKU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -36733 for 718 contacts (-51.2/contact) +
2D Compatibility (PS) -11275 + (NN) 2271 + (LL) 0
1D Compatibility (HY) -4400 + (ID) 850
Total energy: -50987.0 ( -71.01 by residue)
QMean score : 0.233
(partial model without unconserved sides chains):
PDB file :
Tito_2KKU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KKU-query.scw
PDB file :
Tito_Scwrl_2KKU.pdb
: