Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSCEERNLLSVAYKNVVGGQRAAWRVLSSIEQKSNEEGSEEKGPEVREYREKVETELQGVCDTVLGLLDSHLIKEAGDAESRVFYLKMKGDYYRYLAEVATGDDKKRIIDSARSAYQEAMDISKKEMPPTNPIRLGLALNFSVFHYEIANSPEEAISLAKTTFDEAMADLHTLSEDSYKDSTLIMQLLRDNLTLWTADNAGEEGGEAPQEPQS
3NKX Chain:A ((2-230))
-DKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKT--EGAEKKQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDTLSEESYKDSTLIMQLLRDNLTLWTS----------------
General information:
TITO was launched using:
RESULT:
Template:
3NKX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76705 for 1773 contacts (-43.3/contact) +
2D Compatibility (PS) -24895 + (NN) -11947 + (LL) 196
1D Compatibility (HY) -26400 + (ID) 8400
Total energy: -148151.0 ( -83.56 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_3NKX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NKX-query.scw
PDB file :
Tito_Scwrl_3NKX.pdb
: