Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVILLGAPGAGKGTQARFITEKFGIPQISTGDMLRAAVKAGSPLGQQVKGVMDSGGLVSDDIIIALIKERITEADCAKGFLFDGFPRTIPQAEALKDA----GVTIDHVVEIAVDDEEIVSRIAGRRVHPASGRVYHTEHNPPKVAGKDDVTGEELIQREDDKEETVRHRLSVYHSQTKPLVDFYQKLSAAEGTPKYHSIAGVGSVEQITAKVLSALS
3DKV Chain:A ((1-186))
MNIVLMGLPGAGKGTQAERIVEKYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVRERLSKSDCERGFLLDGFPRTVAQAEALEEILEEMGRPIDYVINIQVDKEELMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVTKRLEVNMKQTAPLLAFY---------------------------------
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) -67960 for 1360 contacts (-50.0/contact) +
2D Compatibility (PS) -19995 + (NN) -11282 + (LL) 2316
1D Compatibility (HY) -16000 + (ID) 4900
Total energy: -117821.0 ( -86.63 by residue)
QMean score : 0.512
(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
: