Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKKEERLGVLLWFRFSRFYNRNM---KLTNQNLRAAGISTAQFDCIAQIGLDKEITQQQLAEKLVVTKGNVTQLLAKLEQLGYITRTKTGREKHITLTEKGQACYRE--NVPKQEAFQQA-QFDKLTRDEQKELLKLLKKLGE
2PEX Chain:A ((25-151))
------------------LYSANLAMHKLYRGLLKALDLTYPQYLVMLVLWETDERSVSEIGERLYLDSATLTPLLKRLQAAGLVTRTR----VIIALTETGRALRSKAGAVPEQVFCASACSLDEL-RQLKQELEKLRSSLG-
General information:
TITO was launched using:
RESULT:
Template:
2PEX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -32591 for 706 contacts (-46.2/contact) +
2D Compatibility (PS) -12518 + (NN) -7538 + (LL) 2216
1D Compatibility (HY) -9600 + (ID) 1850
Total energy: -61881.0 ( -87.65 by residue)
QMean score : 0.635
(partial model without unconserved sides chains):
PDB file :
Tito_2PEX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PEX-query.scw
PDB file :
Tito_Scwrl_2PEX.pdb
: