Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIMDKSIPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGELGRRGFGYDVKKLMNFFAEILNDHSTTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLDSNDLVGKTTEDGIPVYGISTINDHLIDSDIETAILTVPSTEAQEVADILVKAGIKGILSFSPVHLTLPKDIIVQYVDLTSELQTLLYFMNQQR
3KEQ Chain:B ((6-211))
-----SIPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGELGRRGFGYDVKKLMNFFAEILNDHSTTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLDSNDLVGKTTEDGIPVYGISTINDHL--SDIETAILTVPSTEAQEVADILVKAGIKGILSFSPVHLTLPKDIIVQYVDLTSELQTLLYFMNQQ-
General information:
TITO was launched using:
RESULT:
Template:
3KEQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159464 for 1453 contacts (-109.7/contact) +
2D Compatibility (PS) -22624 + (NN) -12303 + (LL) 836
1D Compatibility (HY) -30400 + (ID) 10200
Total energy: -234155.0 ( -161.15 by residue)
QMean score : 0.680
(partial model without unconserved sides chains):
PDB file :
Tito_3KEQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KEQ-query.scw
PDB file :
Tito_Scwrl_3KEQ.pdb
: