Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIFICEDDPKQRENMVTIIKNYIMIEEKPMEIALATDNPYEVLEQAKNMNDIGCYFLDIQLSTDINGIKLGSEIRKHDPVGNIIFVTSHSELTYLTFVYKVAAMDFIFKDDPAELRTRIIDCLETAHTRLQLLSKDNSVETIELKRGSNSVYVQYDDIMFFESSTKSHRLIAHLDNRQIEFYGNLKELSQLDDRFFRCHNSFVVNRHNIESIDSKERIVYFKNKEHCYASVRNVKKI
3BS1 Chain:A ((1-103))
---------------------------------------------------------------------------------------------------------------------------------------MDNSVETIELKRGSNSVYVQYDDIMFFESSTKSHRLIAHLDNRQIEFYGNLKELSQLDDRFFRCHNSFVVNRHNIESIDSKERIVYFKNKEHCYASVRNVKKI
General information:
TITO was launched using:
RESULT:
Template:
3BS1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -62522 for 729 contacts (-85.8/contact) +
2D Compatibility (PS) -11050 + (NN) -3078 + (LL) 10784
1D Compatibility (HY) -14800 + (ID) 5100
Total energy: -85766.0 ( -117.65 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_3BS1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BS1-query.scw
PDB file :
Tito_Scwrl_3BS1.pdb
: