Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSCEERNLLSVAYKNVVGGQRAAWRVLSSIEQKSNEEGSEEKGPEVREYREKVETELQGVCDTVLGLLDSHLIKEAGDAESRVFYLKMKGDYYRYLAEVATGDDKKRIIDSARSAYQEAMDISKKEMPPTNPIRLGLALNFSVFHYEIANSPEEAISLAKTTFDEAMADLHTLSEDSYKDSTLIMQLLRDNLTLWTADNAGEEGGEAPQEPQS
3RDH Chain:B ((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) -84318 for 1797 contacts (-46.9/contact) +
2D Compatibility (PS) -24750 + (NN) -11371 + (LL) -12
1D Compatibility (HY) -26800 + (ID) 8450
Total energy: -155701.0 ( -86.64 by residue)
QMean score : 0.461
(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
: