Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNRLKELRARDGLNQTQLAKLAGVSRQTISLIERNNFMPSVLTAIKIARIFNETVETVFIIEEDEA
2XI8 Chain:B ((4-61))
--NNLKLIREKKKISQSELAALLEVSRQTINGIEKNKYNPSLQLALKIAYYLNTPLEDIF-------
General information:
TITO was launched using:
RESULT:
Template:
2XI8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -21908 for 383 contacts (-57.2/contact) +
2D Compatibility (PS) -6557 + (NN) -3353 + (LL) 1096
1D Compatibility (HY) -5600 + (ID) 1300
Total energy: -37622.0 ( -98.23 by residue)
QMean score : 0.792
(partial model without unconserved sides chains):
PDB file :
Tito_2XI8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XI8-query.scw
PDB file :
Tito_Scwrl_2XI8.pdb
: