Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLANVNGQQDIQDVYADVKDLLGGLKK
2QAJ Chain:B ((1-216))
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLANVNGQRDIQDVYADVKDLLEGLK-
General information:
TITO was launched using:
RESULT:
Template:
2QAJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92455 for 1705 contacts (-54.2/contact) +
2D Compatibility (PS) -23931 + (NN) -18315 + (LL) 64
1D Compatibility (HY) -30000 + (ID) 10700
Total energy: -175337.0 ( -102.84 by residue)
QMean score : 0.557
(partial model without unconserved sides chains):
PDB file :
Tito_2QAJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2QAJ-query.scw
PDB file :
Tito_Scwrl_2QAJ.pdb
: