Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGRIQRNKIKVEIKKLSHGKDLPLPCYATMQSAGMDLYAALGNSIVLNPLERLLIPTGIVIVIPNGFEGQIRPRSGLAAKYGITVLNSPGTIDSDYRGEVKVCLINLSNQPYEIKRGDRIAQILIAPVFRVIWDDAERLCTEETERSAGGFGSSGR
2OKD Chain:C ((22-131))
------------------------PTRQSPGAAGYDLYSAYDYTIP--PGERQLIKTDISMSMPKFCYGRIAPRSGLSLK-GIDI--GGGVIDEDYRGNIGVILINNGKCTFNVNTGDRIAQLIYQRIYYPELEEVQSL-----------------
General information:
TITO was launched using:
RESULT:
Template:
2OKD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -53724 for 698 contacts (-77.0/contact) +
2D Compatibility (PS) -11860 + (NN) -4024 + (LL) 2120
1D Compatibility (HY) -8400 + (ID) 2200
Total energy: -78088.0 ( -111.87 by residue)
QMean score : 0.205
(partial model without unconserved sides chains):
PDB file :
Tito_2OKD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OKD-query.scw
PDB file :
Tito_Scwrl_2OKD.pdb
: