Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLIPTVIETTNRGERAYDIYSRLLKDRIIMLGSQIDDNVANSIVSQLLFLQAQDSEKDIYLYINSPGGSVTAGFAIYDTIQHIKPDVQTICIGMAASMGSFLLAAGAKGKRFALPNAEVMIHQPLGGAQGQATEIEIAANHILKTREKLNRILSERTGQSIEKIQKDTDRDNFLTAEEAKEYGLIDEVMVPETK
3ST9 Chain:A ((20-194))
-----------------YDIYSRLLKDRIIMLGSQIDDNVANSIVSQLLFLQAQDSEKDIYLYINSPGGSVTAGFAIYDTIQHIKPDVQTICIGMAASMGSFLLAAGAKGKRFALPNAEVMIHQP-----GQATEIEIAANHILKTREKLNRILSERTGQSIEKIQKDTDRDNFLTAEEAKEYGLIDEVMVP---
General information:
TITO was launched using:
RESULT:
Template:
3ST9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119453 for 1384 contacts (-86.3/contact) +
2D Compatibility (PS) -18508 + (NN) -7073 + (LL) 1536
1D Compatibility (HY) -23600 + (ID) 8500
Total energy: -175598.0 ( -126.88 by residue)
QMean score : 0.616
(partial model without unconserved sides chains):
PDB file :
Tito_3ST9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ST9-query.scw
PDB file :
Tito_Scwrl_3ST9.pdb
: