Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDNLIRLAEIFD-----VSLDE--HVLAKTNEVK------VERIYENKPLDLRKYNKIYWFIFRNIIRSLLIILAILTFL------------------
2GRG Chain:A ((1-98))
MKSSIPITEVLPRAVGSLTFDENYNLLDTSGVAKVIEKSPIAEIIRKSNAELGRLGYSVYEDAQYIGHAFKKAGHFIVYFTPKNKNREGVVPPVGITN
General information:
TITO was launched using:
RESULT:
Template:
2GRG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -39100 for 432 contacts (-90.5/contact) +
2D Compatibility (PS) -6795 + (NN) 3416 + (LL) 0
1D Compatibility (HY) -4000 + (ID) 500
Total energy: -46979.0 ( -108.75 by residue)
QMean score : 0.328
(partial model without unconserved sides chains):
PDB file :
Tito_2GRG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GRG-query.scw
PDB file :
Tito_Scwrl_2GRG.pdb
: