Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEKEKMLAEKWYDANFDQDLINERARAKDICFELNHTKPSDTNKRKELIDQLFQTTTDNVSISIPFDTDYGWNVKLGKNVYVNTNCYFMDGGQITIGDNVFIGPNCGFYTATHPLNFYHRNEGYEKAGPIHIGSNTWFGGHVAVLPGVTIGEGSVIGAGSVVTKDIPPHSLAVGNPCKVVRKIDNDLPSETLNDETIK
1KQA Chain:B ((3-187))
MPMTERIRAGKLF-TDMCEGLPEKRLRGKTLMYEFNHSHPSEVEKRESLIKEMFATVGENAWVEPPVYFSYGSNIHIGRNFYANFNLTIVDDYTVTIGDNVLIAPNVTLSVTGHPVHHELRKNGEMYSFPITIGNNVWIGSHVVINPGVTIGDNSVIGAGSIVTKDIPPNVVAAGVPCRVIREIND-------------
General information:
TITO was launched using:
RESULT:
Template:
1KQA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109414 for 1437 contacts (-76.1/contact) +
2D Compatibility (PS) -20397 + (NN) -12183 + (LL) 456
1D Compatibility (HY) -14800 + (ID) 3950
Total energy: -160288.0 ( -111.54 by residue)
QMean score : 0.602
(partial model without unconserved sides chains):
PDB file :
Tito_1KQA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KQA-query.scw
PDB file :
Tito_Scwrl_1KQA.pdb
: