Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKGFKEFLARGNIVDLAVAVVIGTAFTALVTKFTDSIITPLINRIGVNAQSDVGILRIGIGGGQTIDLNVLLSAAINFFLIAFAVYFLVVLPYNTLRKKGEVEQPGDTQVVLLTEI---RDLLAQTNGDSPG-RHGGRGTPSPTDGPRASTESQ-
1NRJ Chain:A ((1-155))
MFDQLAVFTPQGQ---------VLYQYNCLGKKFSEIQINSFISQLITSPVTRKESVANANTDGFDFNLLTINFNALFYLNKQPELYFVVTFAEQTLELNQETQQTLALVLKLWNSLHLSESILKNRQGQNEKNKHNYVDILQGIEDDLKKFEQYF
General information:
TITO was launched using:
RESULT:
Template:
1NRJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -26687 for 924 contacts (-28.9/contact) +
2D Compatibility (PS) -15342 + (NN) 1380 + (LL) 1360
1D Compatibility (HY) -6000 + (ID) 1200
Total energy: -46489.0 ( -50.31 by residue)
QMean score : 0.116
(partial model without unconserved sides chains):
PDB file :
Tito_1NRJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NRJ-query.scw
PDB file :
Tito_Scwrl_1NRJ.pdb
: