Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLANVNGQQDIQDVYADVKDLLGGLKK
4QBG Chain:B ((1-217))
MNIVLMGLPGAGKGTQAERIVAKYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVRERLSKSDCERGFLLDGFPRTVAQAEALEEILEEMGRKLEHVIHIEVRQEELMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVAKRLEVNMKQMAPLLAFYDSKEVLRNVNGQQDMEKVFKDLRELLQGLAR
General information:
TITO was launched using:
RESULT:
Template:
4QBG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85869 for 1656 contacts (-51.9/contact) +
2D Compatibility (PS) -23903 + (NN) -16258 + (LL) 0
1D Compatibility (HY) -28400 + (ID) 8950
Total energy: -163380.0 ( -98.66 by residue)
QMean score : 0.619
(partial model without unconserved sides chains):
PDB file :
Tito_4QBG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QBG-query.scw
PDB file :
Tito_Scwrl_4QBG.pdb
: