Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAIIIGADTAGSKLKDVVKDFLVGENFEVVD---VTQDGQD-FVDVTLAVAAEVNKQEENLGIVIDAYGAGPFMVATKIKGMVAAEVSDERSAYMTRGHNNSRMITMGSEI--VGEGLAKNIAKGFVNGKYDGG-RHQIRVDMLNKMC
2BES Chain:B ((14-155))
MRVYLGADHAGYELKQRIIEHLKQTGHEPIDCGALRYDADDDYPAFCIAAATRTVADPGSLGIVLGGSGNGEQIAANKVPGARCALAWSVQTAALAREHNNAQLIGIGGRMHTVAEALA--IVDAFVTTPWSKAQRHQRRIDILAEYE
General information:
TITO was launched using:
RESULT:
Template:
2BES.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89684 for 1139 contacts (-78.7/contact) +
2D Compatibility (PS) -14603 + (NN) -8671 + (LL) -16
1D Compatibility (HY) -6400 + (ID) 2250
Total energy: -121624.0 ( -106.78 by residue)
QMean score : 0.580
(partial model without unconserved sides chains):
PDB file :
Tito_2BES.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BES-query.scw
PDB file :
Tito_Scwrl_2BES.pdb
: