Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIADEIQSGLACTGYPFACDHGGVLPDIYLLGKTLGGGAVPLSAMVADREIFGVVHPGEHGSTFGGNPLAAAIGTPVVSMVVWGEC----QARSAKLGAHLH--QRLADLIGDGAVALRGLGWWADVDIE-RALAIGTDMSMRLADRGVLLKDTYGAALRFAPPLVITAQEIDCAVRRFADALWEAGS
4JEX Chain:B ((238-415))
LVFDEVQCGMGRTGDLFAYMHYGVTPDILTSAKALGGG-FPVSAMLTTQEIASAF-----GSTYGGNPLACAVAGATFDIINTPEVLQGIHTKRQQFVQHLQAIDEQFDIFSD----IRGMGLLIGAELKPKYKGRARDFLYAGAEAGVMVLNAGADVMRFAPSLVVEEADIHEGMQRFAQAV-----
General information:
TITO was launched using:
RESULT:
Template:
4JEX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116589 for 1148 contacts (-101.6/contact) +
2D Compatibility (PS) -17246 + (NN) -3747 + (LL) 536
1D Compatibility (HY) -11600 + (ID) 2900
Total energy: -151546.0 ( -132.01 by residue)
QMean score : 0.168
(partial model without unconserved sides chains):
PDB file :
Tito_4JEX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JEX-query.scw
PDB file :
Tito_Scwrl_4JEX.pdb
: