Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSALVGVIMGSKSDWSTLSHTADMLDKLGIPYEVKVVSAHRTPDLLFQYAEEAEGRGLEVIIAGAGGAAHLPGMCAAKTHLPVLGVPVQSSMLSGVDSLLSIVQMPAGVPVATLAIGKAGAVNAALLSASILGAKHPQYHEALKQFRANQTETVLDNPDPRDA
2FWB Chain:A ((23-178))
---VVGIIMGSQSDWETMRHADALLTELEIPHETLIVSAHRTPDRLADYARTAAERGLNVIIAGAGGAAFLPGMCAAWTRLPVLGVPVESRALKGMDSLLSIVQMPGGVPVGTLAIGASGAKNAALLAASILALYNPALAARLETWRALQTASVPNSPI----
General information:
TITO was launched using:
RESULT:
Template:
2FWB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131153 for 1294 contacts (-101.4/contact) +
2D Compatibility (PS) -16915 + (NN) -6614 + (LL) 352
1D Compatibility (HY) -15600 + (ID) 4900
Total energy: -174830.0 ( -135.11 by residue)
QMean score : 0.632
(partial model without unconserved sides chains):
PDB file :
Tito_2FWB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2FWB-query.scw
PDB file :
Tito_Scwrl_2FWB.pdb
: