Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIMDKSIPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGELGRRGFGYDVKKLMNFFAEILNDHSTTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLDSNDLVGKTTEDGIPVYGISTINDHLIDSDIETAILTVPSTEAQEVADILVKAGIKGILSFSPVHLTLPKDIIVQYVDLTSELQTLLYFMNQQR
3KET Chain:A ((6-210))
-----SIPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGELGRRGFGYDVKKLMNFFAEILNDHSTTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLDSNDLVGKTTEDGIPVYGISTINDHLIDSDIETAILTVPSTEAQEVADILVKAGIKGILSFSPVHLTLPKDIIVQYVDLTSELQTLLYFMNQ--
General information:
TITO was launched using:
RESULT:
Template:
3KET.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153025 for 1479 contacts (-103.5/contact) +
2D Compatibility (PS) -22967 + (NN) -13976 + (LL) 828
1D Compatibility (HY) -30800 + (ID) 10250
Total energy: -230190.0 ( -155.64 by residue)
QMean score : 0.646
(partial model without unconserved sides chains):
PDB file :
Tito_3KET.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KET-query.scw
PDB file :
Tito_Scwrl_3KET.pdb
: