Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIMDKSIPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGELGRRGFGYDVKKLMNFFAEILNDHSTTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLDSNDLVGKTTEDGIPVYGISTINDHLIDSDIETAILTVPSTEAQEVADILVKAGIKGILSFSPVHLTLPKDIIVQYVDLTSELQTLLYFMNQQR
3KEQ Chain:A ((6-211))
-----SIPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGE-------YDVKKLMNFFAEILN---TTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLDSNDLVGKTTEDGIPVYGISTINDHLIDSDIETAILTVPSTEAQEVADILVKAGIKGILSFSPVHLTLPKDIIVQYVDLTSELQTLLYFMNQQ-
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) -160228 for 1364 contacts (-117.5/contact) +
2D Compatibility (PS) -21935 + (NN) -13792 + (LL) 640
1D Compatibility (HY) -30000 + (ID) 9800
Total energy: -235115.0 ( -172.37 by residue)
QMean score : 0.642
(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
: