Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHYVTPDLCDAYPELVQVVEPMFSNFGGRDSFGGEIVTIKCFEDNSLVKEQVDKDGKGKVLVVDGGGSLRRALLGDMLAEKAAKNGWEGIVVYGCIRDVDVIAQTDLGVQALASHPLKTDKRG-IGDLNVAVTFGGVTFRPGEFVYADNNGIIVSPQALKMPE
3K4I Chain:A ((78-185))
---------------------------------------------------IDQVPSGSVIVSSNSGRHDCTVWGDIMTHFALANGIKGTVIDGVARDIDTVINCNYPLFSRGRFMQSAKNRTQLKAVQVPLVIDGITIQPGDLMVCDGSGCVVVPQQLAAEV
General information:
TITO was launched using:
RESULT:
Template:
3K4I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79856 for 721 contacts (-110.8/contact) +
2D Compatibility (PS) -12661 + (NN) -11993 + (LL) 2952
1D Compatibility (HY) -8800 + (ID) 1400
Total energy: -111758.0 ( -155.00 by residue)
QMean score : 0.453
(partial model without unconserved sides chains):
PDB file :
Tito_3K4I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K4I-query.scw
PDB file :
Tito_Scwrl_3K4I.pdb
: