Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEFSWSEILLELLAVAVLFFGVHWSLR-HAKTLDQASMLPFADDEEVARRVERETGRSRTGCGCPGRCQGDCRHWDKNWPA
2H3O Chain:A ((46-66))
---------VLLPALAIFIGLTIYAIQRKR---------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2H3O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -8659 for 75 contacts (-115.5/contact) +
2D Compatibility (PS) -1887 + (NN) -390 + (LL) 3104
1D Compatibility (HY) -2000 + (ID) 50
Total energy: -9882.0 ( -131.76 by residue)
QMean score : -0.424
(partial model without unconserved sides chains):
PDB file :
Tito_2H3O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2H3O-query.scw
PDB file :
Tito_Scwrl_2H3O.pdb
: