Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIALGCDHIVTDTKMRVSEFLKSKGHEVIDVGTYDF-TRTHYPIFGKKVGEQVVSGNADLGVCICGTGVGINNAVNKVPGVRSALVRDMTSALYAKEELNANVIGFGGRI--IGELLMCDIIDAFINAEYKATEENKKLIAKIKHLETSNADQADPHFFDEFLEKWDRGEYHD
2BES Chain:B ((14-152))
MRVYLGADHAGYELKQRIIEHLKQTGHEPIDCGALRYDADDDYPAFCIAAATRTVADPGSLGIVLGGSGNGEQIAANKVPGARCALAWSVQTAALAREHNNAQLIGIGGRMHTVAEALA--IVDAFVTTPWSKAQRHQRRI---------------------------------
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) -115105 for 1181 contacts (-97.5/contact) +
2D Compatibility (PS) -14255 + (NN) -3087 + (LL) 1824
1D Compatibility (HY) -4800 + (ID) 2550
Total energy: -137973.0 ( -116.83 by residue)
QMean score : 0.521
(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
: