Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MECKLVNLSNNDVGTTQLNPLIFSVEQKLSILHDIVRWQLAKRRAGTHKVKGISDVSGTTAKPYSQKRTGRARQGSLRSPQFRGGGVIFGPIVRSHAYSLNKKVRKFGLKVALSLKYLNNQVIILNNLNINVKKTSEMCKYIQNFKFS---SFLIVGDYEDSLLR---AARNLHYVNLI---------------KPIGLNVFDILNHECIMLTSDALRYLEGRLL
1DMG Chain:A ((2-221))
-QVDLLNVKGEKVGTLEISDFVFNIDPNYDVMWRYVDMQLS-----------------------------------------------------DWSKKLNKKMKKLALRSALSVKYRENKLLVLDDLKLERPKTKSLKEILQNLQLSDKKTLIVLPWKEEGYMNVKLSGRNLPDVKVIIADNPNNSKNGEKAVRIDGLNVFDMLKYDYLVLTRDMVSKIEEVLG
General information:
TITO was launched using:
RESULT:
Template:
1DMG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127847 for 1060 contacts (-120.6/contact) +
2D Compatibility (PS) -15822 + (NN) -5664 + (LL) 2100
1D Compatibility (HY) -18800 + (ID) 2250
Total energy: -168283.0 ( -158.76 by residue)
QMean score : 0.571
(partial model without unconserved sides chains):
PDB file :
Tito_1DMG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1DMG-query.scw
PDB file :
Tito_Scwrl_1DMG.pdb
: