Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGEKMAIWRTKKPATKQKIVSDLQELGIKKGDTIIFHASMSKAHWICGGPVTVILALQELVGELGNIVMPAQTGQLSDPAKWENPPVPESWWKIIRRETPPFDPLVTPTRGMGVIAETFRTMPDVERSFHPYHSFCAWGKDKKQILANQPLAKSMGDESPLGKMYQLDAKIILFGVDNNNNTSLHLAEERSNAFPLIENQAAFLKNGEIIWEKYQEIDYNSEVFIALGRAYEKEHDFHPTTIIGAPTKIYDMRDLVDFGTKYFQTKNH
3SLB Chain:A ((11-266))
---------TQLPNTIKTITNDLRKLGLKKGMTVIVHSSLSSIGWISGGAVAVVEALMEVITEEGTIIMPTQSSDLSDPKHWSRPPVPEEWWQIIRDNVPAFEPHITPTRAMGKVVECFRTYPNVVRSNHPLGSFAAWGRHAEEITVNQSLSMSLGEESPLRKIYDLDGYILLIGVGYDSNTSVGLSEVRSGACELIKVGAPIIENGERVWKEFVDMDYDSDKFVEIGVEFEQKGTVTMGKIGNAKCRLMKQRDIVDFGTEWFRK---
General information:
TITO was launched using:
RESULT:
Template:
3SLB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107198 for 2167 contacts (-49.5/contact) +
2D Compatibility (PS) -27737 + (NN) -10068 + (LL) 1044
1D Compatibility (HY) -24000 + (ID) 5950
Total energy: -173909.0 ( -80.25 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_3SLB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SLB-query.scw
PDB file :
Tito_Scwrl_3SLB.pdb
: