Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLKSFITVTLALGMIATTGATVTSNEVSAAEKDKLPATQKAKEMQNVPYTIAVDGIMAFNQS---YLNLPKDSQLSYLDLGNKVKALLYDERGVTPE--------------KIRNAKSAVYTITWKDGSKKEVDLKKD-----------SYTANLFDSNSIKQIDINVKTK
2ICI Chain:A ((102-225))
--------------------------------------------KKNIPVNIFIDGVQQKYSYTDISTVSTDKKEVTIQELDVKSRYYLQKHFNIYGFGDVKDFGRSSRFQSG---FEEGNIIFHLNSGERISYNMFDTGHGDRESMLKKYSDNKTAYSDQL-HIDIYLVKF
General information:
TITO was launched using:
RESULT:
Template:
2ICI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -16510 for 645 contacts (-25.6/contact) +
2D Compatibility (PS) -10623 + (NN) -3815 + (LL) 3988
1D Compatibility (HY) -2800 + (ID) 650
Total energy: -30410.0 ( -47.15 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_2ICI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ICI-query.scw
PDB file :
Tito_Scwrl_2ICI.pdb
: