Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDD-CERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLANVNGQQDIQDVYADVKDLLGGLKK
3AKY Chain:A ((5-218))
IRMVLIGPPGAGKGTQAPNLQERFHAAHLATGDMLRSQIAKGTQLGLEAKKIMDQGGLVSDDIMVNMIKDELTNNPACKNGFILDGFPRTIPQAEKLDQMLKEQGTPLEKAIELKVDDELLVARITGRLIHPASGRSYHKIFNPPKEDMKDDVTGEALVQRSDDNADALKKRLAAYHAQTEPIVDFYKKTGIWAGVDASQPPATVWADFLNKLG----
General information:
TITO was launched using:
RESULT:
Template:
3AKY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82009 for 1671 contacts (-49.1/contact) +
2D Compatibility (PS) -23718 + (NN) -18814 + (LL) 132
1D Compatibility (HY) -16800 + (ID) 4650
Total energy: -145859.0 ( -87.29 by residue)
QMean score : 0.600
(partial model without unconserved sides chains):
PDB file :
Tito_3AKY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AKY-query.scw
PDB file :
Tito_Scwrl_3AKY.pdb
: