Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKVALYNQNGSTAGDIELNASVFGIEPNESVVFDAILMQRASLRQGTHKVKNRSEVRGGGRKPWRQKGTGRARQGSIRSPQWRGGGVVFGPTPRSYSYKLPKKVRRLAIKSVLSSKVIDNNIIVLEDLTLDTAKTKEMAAILKGLSV-EKKALIVTADANEA---VALSARNIPGVTVVEA---------------NGINVLDVVNHEKLLITKAAVEKVEEVLA
1DMG Chain:A ((2-225))
--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) -113448 for 1141 contacts (-99.4/contact) +
2D Compatibility (PS) -16766 + (NN) -10005 + (LL) 1200
1D Compatibility (HY) -19200 + (ID) 3200
Total energy: -161419.0 ( -141.47 by residue)
QMean score : 0.554
(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
: