Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLANVNGQQDIQDVYADVKDLLGGLKK
3DKV Chain:A ((1-217))
MNIVLMGLPGAGKGTQAERIVEKYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVRERLSKSDCERGFLLDGFPRTVAQAEALEEILEEMGRPIDYVINIQVDKEELMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVTKRLEVNMKQTAPLLAFYDSKEVLVNVNGQQDIQDVFADVKVILGGLKQ
General information:
TITO was launched using:
RESULT:
Template:
3DKV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97227 for 1703 contacts (-57.1/contact) +
2D Compatibility (PS) -24199 + (NN) -18896 + (LL) 0
1D Compatibility (HY) -29200 + (ID) 9700
Total energy: -179222.0 ( -105.24 by residue)
QMean score : 0.561
(partial model without unconserved sides chains):
PDB file :
Tito_3DKV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DKV-query.scw
PDB file :
Tito_Scwrl_3DKV.pdb
: