Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--MNSPDVLLDSFKIALVKKDSKLAFSLIERLSLEQ-----------IKSLDLDALLSLKEMIAQSIELLE-----KEKEELQSQMHKAKQIQKFLS--
2KCL Chain:A ((1-99))
EDPEDPFTRYALAQEHLKHDNASRALALFEELVETDPDYVGTYYHLGKLYERLDRTDDAIDTYAQGIEVAREEGTQKDLSELQDAKLKAEGLEHHHHHH
General information:
TITO was launched using:
RESULT:
Template:
2KCL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -7226 for 463 contacts (-15.6/contact) +
2D Compatibility (PS) -8830 + (NN) -8626 + (LL) 0
1D Compatibility (HY) 2400 + (ID) 900
Total energy: -23182.0 ( -50.07 by residue)
QMean score : 0.633
(partial model without unconserved sides chains):
PDB file :
Tito_2KCL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KCL-query.scw
PDB file :
Tito_Scwrl_2KCL.pdb
: