Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQEIEIFCDGSSLGNPGPGGYAAILRYKDKEKTISGGENFTTNNRMELRALNEALKILKRPCHITLYSDSQYVCQAINVWLVNWQKKNF-----AKVKNVDLWKEFVKVSKGHSIVAVWIKGHNGHAENERCNSLAKLEAQKRVKTTT
3AA2 Chain:A ((3-141))
-KQVEIFTDGSCLGNPGPGGYGAILRYRGREKTFSAGYTRTTNNRMELMAIIVALEALKEHCEVILSTDSQYVRQGITQWIHNWKKRGWKTADKKPVKNVDLWQRLDAALGQHQIKWEWVKGHAGHPENERCDELARAAAMNPTLEDT
General information:
TITO was launched using:
RESULT:
Template:
3AA2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -55151 for 1067 contacts (-51.7/contact) +
2D Compatibility (PS) -14232 + (NN) -6242 + (LL) 208
1D Compatibility (HY) -8800 + (ID) 3700
Total energy: -87917.0 ( -82.40 by residue)
QMean score : 0.599
(partial model without unconserved sides chains):
PDB file :
Tito_3AA2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AA2-query.scw
PDB file :
Tito_Scwrl_3AA2.pdb
: