Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLIPTVIETTNRGERAYDIYSRLLKDRIIMLGSQIDDNVANSIVSQLLFLQAQDSEKDIYLYINSPGGSVTAGFAIYDTIQHIKPDVQTICIGMAASMGSFLLAAGAKGKRFALPNAEVMIHQPLGGAQGQATEIEIAANHILKTREKLNRILSERTGQSIEKIQKDTDRDNFLTAEEAKEYGLIDEVMVPETK
3ST9 Chain:C ((20-194))
-----------------YDIYSRLLKDRIIMLGSQIDDNVANSIVSQLLFLQAQDSEKDIYLYINSPGGSVTAGFAIYDTIQHIKPDVQTICIGMAASMGSFLLAAGAKGKRFALPNAEVMIHQP----QGQATEIEIAANHILKTREKLNRILSERTGQSIEKIQKDTDRDNFLTAEEAKEYGLIDEVMVP---
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) -114922 for 1388 contacts (-82.8/contact) +
2D Compatibility (PS) -18620 + (NN) -7726 + (LL) 1416
1D Compatibility (HY) -23600 + (ID) 8550
Total energy: -172002.0 ( -123.92 by residue)
QMean score : 0.595
(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
: