Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLIPTVIEQTSRGERAYDIYSRLLKDRIIMLGSAIDDNVANSIVSQLLFLDAQDPEKDIFLYINSPGGSISAGMAIYDTMNFVKADVQTIGMGMAASMGSFLLTAGANGKRFALPNAEIMIHQPLGGAQGQATEIEIAARHILKIKERMNTIMAEKTGQPYEVIARDTDRDNFMTAQEAKDYGLIDDIIINKSGLKG
4JCT Chain:A ((3-193))
--LIPTVIE-------AYDIYSRLLKDRIIMLGSAIDDNVANSIVSQLLFLDAQDPEKDIFLYINSPGGSISAGMAIYDTMNFVKADVQTIGMGMAASMGSFLLTAGANGKRFALPNAEIMIHQPLGGAQGQATEIEIAARHILKIKERMNTIMAEKTGQPYEVIARDTDRDNFMTAQEAKDYGLIDDIIINK-----
General information:
TITO was launched using:
RESULT:
Template:
4JCT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122594 for 1401 contacts (-87.5/contact) +
2D Compatibility (PS) -19957 + (NN) -7810 + (LL) 272
1D Compatibility (HY) -26400 + (ID) 9200
Total energy: -185689.0 ( -132.54 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_4JCT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JCT-query.scw
PDB file :
Tito_Scwrl_4JCT.pdb
: