Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPAVIGVIMGSTSDWDTMKKACDVLDELEIAYEKKVVSAHRTPDLMFQYAEQARERGLKIIIAGAGGAAHLPGMVAAKTTLPVIGVPIKSKALNGMDSLLSIVQMPGGVPVATVAIGESGAVNAGLLAAQILSITDDAITNRLQKRRATLEETVLESSDYLG
4GRD Chain:A ((15-163))
---LVGVLMGSSSDWDVMKHAVAILQEFGVPYEAKVVSAHRMPDEMFDYAEKARERGLRAIIAGAGGAAHLPGMLAAKTTVPVLGVPVASKYLKGVDSLHSIVQMPKGVPVATFAIGEAGAANAALFAVSILSGNSVDYANRLAAFRVRQNE----------
General information:
TITO was launched using:
RESULT:
Template:
4GRD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123145 for 1266 contacts (-97.3/contact) +
2D Compatibility (PS) -16080 + (NN) -5123 + (LL) 700
1D Compatibility (HY) -15600 + (ID) 4850
Total energy: -164098.0 ( -129.62 by residue)
QMean score : 0.624
(partial model without unconserved sides chains):
PDB file :
Tito_4GRD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GRD-query.scw
PDB file :
Tito_Scwrl_4GRD.pdb
: