Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHSLQAKILDPRLGSDFPLPQYATPGSAGLDLRAMLKEDSVLGPGQTLLIPTGLSIYIADPGLA-ALVLPRSGLGHKHGIVLGNLVGLIDSDYQGELMVSCWNRGESPFTIAVGERIAQLVLVPVVQAHFELVEAFDESQRGAGGFGHSGSH
2OKB Chain:A ((12-113))
-------------------PTRQSPGAAGYDLYSAY--DYTIPPGERQLIKTDISMSM--PKFCYGRIAPRSGLSLK-GIDIGG--GVIDEDYRGNIGVILINNGKCTFNVNTGDRIAQLIYQRIYYP------------------------
General information:
TITO was launched using:
RESULT:
Template:
2OKB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76747 for 663 contacts (-115.8/contact) +
2D Compatibility (PS) -10618 + (NN) -3914 + (LL) 2404
1D Compatibility (HY) -7200 + (ID) 2000
Total energy: -98075.0 ( -147.93 by residue)
QMean score : 0.431
(partial model without unconserved sides chains):
PDB file :
Tito_2OKB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OKB-query.scw
PDB file :
Tito_Scwrl_2OKB.pdb
: