Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLANVNGQQDIQDVYADVKDLLGGLKK
2P3S Chain:A ((1-216))
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLANVNGQRDIQDVYADVKDLLGRLK-
General information:
TITO was launched using:
RESULT:
Template:
2P3S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88284 for 1711 contacts (-51.6/contact) +
2D Compatibility (PS) -23953 + (NN) -18422 + (LL) 64
1D Compatibility (HY) -30000 + (ID) 10700
Total energy: -171295.0 ( -100.11 by residue)
QMean score : 0.558
(partial model without unconserved sides chains):
PDB file :
Tito_2P3S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2P3S-query.scw
PDB file :
Tito_Scwrl_2P3S.pdb
: