Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSCEERNLLSVAYKNVVGGQRAAWRVLSSIEQKSNEEGSEEKGPEVREYREKVETELQGVCDTVLGLLDSHLIKEAGDAESRVFYLKMKGDYYRYLAEVATGDDKKRIIDSARSAYQEAMDISKKEMPPTNPIRLGLALNFSVFHYEIANSPEEAISLAKTTFDEAMADLHTLSEDSYKDSTLIMQLLRDNLTLWTADNAGEEGGEAPQEPQS
3SMK Chain:A ((6-236))
MERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSVEERNLLSVAYKNVVGGQRAAWRVLSSIEQKSN-------GPEVREYREKVETELQGVCDTVLGLLDSHLIKEAGDAESRVFYLKMKGDYYRYLAEVATGDDKKRIIDSARSAYQEAMDISKKEMPPTHPIRLGLALNFSVFHYEIANSPEEAISLAKTTFDEAMADLHTL----YKDSTLIMQLLRDNLTLWT-----------------
General information:
TITO was launched using:
RESULT:
Template:
3SMK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -81886 for 1701 contacts (-48.1/contact) +
2D Compatibility (PS) -23932 + (NN) -11858 + (LL) 360
1D Compatibility (HY) -29200 + (ID) 10900
Total energy: -157416.0 ( -92.54 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_3SMK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SMK-query.scw
PDB file :
Tito_Scwrl_3SMK.pdb
: