Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKG-------YLANVNGQQDIQDVYADVKDLLGGLKK
4PZL Chain:A ((25-241))
MRIILLGAPGAGKGTQAKIIEQKYNIAHISTGDMIRETIKSGSALGQELKKVLDAGELVSDEFIIKIVKDRISKNDCNNGFLLDGVPRTIPQAQELDK----LGVNIDYIVEVDVADNLLIERITGRRIHPASGRTYHTKFNPPKVADKDDVTGEPLITRTDDNEDTVKQRLSVYHAQTAKLIDFYRNFSSTNTKIPKYIKINGDQAVEKVSQDIFDQLNK---
General information:
TITO was launched using:
RESULT:
Template:
4PZL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76978 for 1502 contacts (-51.3/contact) +
2D Compatibility (PS) -23225 + (NN) -16253 + (LL) 892
1D Compatibility (HY) -17600 + (ID) 5100
Total energy: -138264.0 ( -92.05 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_4PZL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PZL-query.scw
PDB file :
Tito_Scwrl_4PZL.pdb
: