Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHYVTPDLCDAYPELVQVVE--PMFSNFGGRDSFGGEIVTIKCFEDNSLVKEQVDKDGKGKVLVVDGGGSLRRALLGDMLAEKAAKNGWEGIVVYGCIRDVDVIAQTDLGVQALASHPLKTDK-RGIGDLNVAVTFGGVTFRPGEFVYADNNGIIVSPQALKMPE
3K4I Chain:A ((22-187))
-HLDTASLSDALDS-LGIDGGLPGIASQVPGTRCVGIAFTVQYQPV-----NYIDQVPSGSVIVSSNSGRHDCTVWGDIMTHFALANGIKGTVIDGVARDIDTVINCNYPLFSRGRFMQSAKNRTQLKAVQVPLVIDGITIQPGDLMVCDGSGCVVVPQQLAAEV
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) -112027 for 1241 contacts (-90.3/contact) +
2D Compatibility (PS) -17142 + (NN) -9253 + (LL) 708
1D Compatibility (HY) -9600 + (ID) 1750
Total energy: -149064.0 ( -120.12 by residue)
QMean score : 0.528
(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
: