Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
ASCDATALSPCVGAIMLGGAVTPGCC-------ARLKAQQGCLCQYARNPSYAGYV---GSPRAQGVVQACG-LPKPKC-----
2KCC Chain:A ((1-84))
MENDPTVLRSPSAGKLTQYTVEDGGHVEAGSSYAEMEVMKMIMTLNVQERGRVKYIKRPGAVLEAGCVVARLELDDLEHHHHHH
General information:
TITO was launched using:
RESULT:
Template:
2KCC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -22943 for 402 contacts (-57.1/contact) +
2D Compatibility (PS) -6937 + (NN) -2403 + (LL) 0
1D Compatibility (HY) 400 + (ID) 600
Total energy: -32483.0 ( -80.80 by residue)
QMean score : 0.233
(partial model without unconserved sides chains):
PDB file :
Tito_2KCC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KCC-query.scw
PDB file :
Tito_Scwrl_2KCC.pdb
: