Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQIMYNYPAMLGHAGDMAGYAGTLQSLGAEIAVEQAALQSAWQGDTGITYQAWQAQW-------NQAMEDLVR----AYHAMSSTHEANTMAMMARDTAEAAKWGG
1WA8 Chain:B ((606-695))
-----WNFAGIEAAASAIQGNVTSIHSLLDEGKQSLTKLAAAWGGSGSEAYQGVQQKWDATATELNNALQNLARTISEAGQAMAST-EGNVTGMFA-----------
General information:
TITO was launched using:
RESULT:
Template:
1WA8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -9961 for 425 contacts (-23.4/contact) +
2D Compatibility (PS) -8433 + (NN) 53 + (LL) 1244
1D Compatibility (HY) -3200 + (ID) 1350
Total energy: -21647.0 ( -50.93 by residue)
QMean score : -0.026
(partial model without unconserved sides chains):
PDB file :
Tito_1WA8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WA8-query.scw
PDB file :
Tito_Scwrl_1WA8.pdb
: