Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEKEKMLAEKWYDANFDQDLINERARAKDICFELNHTKPSDTNKRKELIDQLFQTTTDNVSISIPFDTDYGWNVKLGKNVYVNTNCYFMDGGQITIGDNVFIGPNCGFYTATHPLNFYHRNEGYEKAGPIHIGSNTWFGGHVAVLPGVTIGEGSVIGAGSVVTKDIPPHSLAVGNPCKVVRKIDNDLPSETLNDETIK
1KRU Chain:B ((3-187))
MPMTERIRAGKLF-TDMCEGLPEKRLRGKTLMYEFNHSHPSEVEKRESLIKEMFATVGENAWVEPPVYFSYGSNIHIGRNFYANFNLTIVDDYTVTIGDNVLIAPNVTLSVTGHPVHHELRKNGEMYSFPITIGNNVWIGSHVVINPGVTIGDNSVIGAGSIVTKDIPPNVVAAGVPCRVIREIND-------------
General information:
TITO was launched using:
RESULT:
Template:
1KRU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111475 for 1421 contacts (-78.4/contact) +
2D Compatibility (PS) -20397 + (NN) -12183 + (LL) 456
1D Compatibility (HY) -14800 + (ID) 3950
Total energy: -162349.0 ( -114.25 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_1KRU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KRU-query.scw
PDB file :
Tito_Scwrl_1KRU.pdb
: