Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGMRVYLGADHAGYELKQRIIEHLKQTGHEPIDCGALRYDADDDYPAFCIAAATRTVADPGSLGIVLGGSGNGEQIAANKVPGARCALAWSVQTAALAREHNNAQLIGIGGRMHTVAEALAIVDAFVTTPWSKAQRHQRRIDILAEYERTHEAPPVPGAPA
2BES Chain:A ((13-169))
--GMRVYLGADHAGYELKQRIIEHLKQTGHEPIDCGALRYDADDDYPAFCIAAATRTVADPGSLGIVLGGSGNGEQIAANKVPGARCALAWSVQTAALAREHNNAQLIGIGGRMHTVAEALAIVDAFVTTPWSKAQRHQRRIDILAEYERTHEAPPVPG---
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) -90596 for 1300 contacts (-69.7/contact) +
2D Compatibility (PS) -17639 + (NN) -15204 + (LL) 328
1D Compatibility (HY) -18000 + (ID) 7850
Total energy: -148961.0 ( -114.59 by residue)
QMean score : 0.593
(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
: