Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSCEERNLLSVAYKNVVGGQRAAWRVLSSIEQKSNEEGSEEKGPEVREYREKVETELQGVCDTVLGLLDSHLIKEAGDAESRVFYLKMKGDYYRYLAEVATGDDKKRIIDSARSAYQEAMDISKKEMPPTNPIRLGLALNFSVFHYEIANSPEEAISLAKTTFDEAMADLHTLSEDSYKDSTLIMQLLRDNLTLWTADNAGEEGGEAPQEPQS
3RDH Chain:D ((4-233))
MDKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKT--EGAEKKQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDTLSEESYKDSTLIMQLLRDNLTLWTS----------------
General information:
TITO was launched using:
RESULT:
Template:
3RDH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80985 for 1805 contacts (-44.9/contact) +
2D Compatibility (PS) -25003 + (NN) -12492 + (LL) -12
1D Compatibility (HY) -26800 + (ID) 8450
Total energy: -153742.0 ( -85.18 by residue)
QMean score : 0.505
(partial model without unconserved sides chains):
PDB file :
Tito_3RDH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RDH-query.scw
PDB file :
Tito_Scwrl_3RDH.pdb
: