Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKVALYNQNGSTAGDIELNASVFGIEPNESVVFDAILMQRASLRQGTHKVKNRSEVRGGGRKPWRQKGTGRARQGSIRSPQWRGGGVVFGPTPRSYSYKLPKKVRRLAIKSVLSSKVIDNNIIVLEDLTLDTAKTKEMAAILKGLSVEKKALIVTA----DANEAVALSARNIPGVTVVEA---------------NGINVLDVVNHEKLLITKAAVEKVEEVLA
1DMG Chain:A ((1-225))
-AQVDLLNVKGEKVGTLEISDFVFNIDPNYDVMWRYVDMQL-----------------------------------------------------SDWSKKLNKKMKKLALRSALSVKYRENKLLVLDDLKLERPKTKSLKEILQNLQLSDKKTLIVLPWKEEGYMNVKLSGRNLPDVKVIIADNPNNSKNGEKAVRIDGLNVFDMLKYDYLVLTRDMVSKIEEVLG
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) -111891 for 1173 contacts (-95.4/contact) +
2D Compatibility (PS) -16882 + (NN) -10210 + (LL) 1384
1D Compatibility (HY) -18400 + (ID) 2950
Total energy: -158949.0 ( -135.51 by residue)
QMean score : 0.557
(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
: