Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKNRDFRVRDQLETFGVRVSALIIE-NQKLLLIYAP-----HLDKYYLPGGALQVGEDSNKAVAREVLEEIGLHSQVGDLAYIVENQFNIKRHHYHSVEFLYFVNLLGQAPESIKEGTHKRHFVWLPIKELTKIDCNPNFLAQDLIEWPGHVVHKIVQN
3GRN Chain:A ((4-137))
-----------EKPYIISVYALIRNEKGEFLLLRRSENSRTNAGKWDLPGGKVNPDESLKEGVAREVWEETGITMVPGDIAGQVNFELT----EKKVIAIVFDGGYVVA-DVKL--SYEHIEYSWVSLEKILGMETLPAYFRDFFERFDRENKK-----
General information:
TITO was launched using:
RESULT:
Template:
3GRN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74716 for 928 contacts (-80.5/contact) +
2D Compatibility (PS) -13822 + (NN) -1283 + (LL) 2204
1D Compatibility (HY) -7600 + (ID) 1300
Total energy: -96517.0 ( -104.01 by residue)
QMean score : 0.432
(partial model without unconserved sides chains):
PDB file :
Tito_3GRN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GRN-query.scw
PDB file :
Tito_Scwrl_3GRN.pdb
: