Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEKEKMLAEKWYDANFDQDLINERARAKDICFELNHTKPSDTNKRKELIDQLFQTTTDNVSISIPFDTDYGWNVKLGKNVYVNTNCYFMDGGQITIGDNVFIGPNCGFYTATHPLNFYHRNEGYEKAGPIHIGSNTWFGGHVAVLPGVTIGEGSVIGAGSVVTKDIPPHSLAVGNPCKVVRKIDNDLPSETLNDETIK
1KRR Chain:A ((3-191))
MPMTERIRAGKLFTDM-CEGLPEKRLRGKTLMYEFNHSHPSEVEKRESLIKEMFATVGENAWVEPPVYFSYGSNIHIGRNFYANFNLTIVDDYTVTIGDNVLIAPNVTLSVTGHPVHHELRKNGEMYSFPITIGNNVWIGSHVVINPGVTIGDNSVIGAGSIVTKDIPPNVVAAGVPCRVIREINDRDKH---------
General information:
TITO was launched using:
RESULT:
Template:
1KRR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97688 for 1456 contacts (-67.1/contact) +
2D Compatibility (PS) -20926 + (NN) -13452 + (LL) 732
1D Compatibility (HY) -14000 + (ID) 3950
Total energy: -149284.0 ( -102.53 by residue)
QMean score : 0.575
(partial model without unconserved sides chains):
PDB file :
Tito_1KRR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KRR-query.scw
PDB file :
Tito_Scwrl_1KRR.pdb
: