Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VRSLNSIVAVCQNMGIGKDGNLPWPPLRNEYKYFQRMTSTSHVEGKQNAVIMGKKTWFSIPEKNRPLKDRINIVLSRELKEAPKGAHYLSKSLDDALALLDSPELKSKVDMVWIVGGTAVYKAAMEKPINHRLFVTRILHEFESDTFFPEIDYKDFKLLTEYPGVPADIQEEDGIQYKFEVYQKSVLAQ
8DFR Chain:A ((1-186))
VRSLNSIVAVCQNMGIGKDGNLPWPPLRNEYKYFQRMTSTSHVEGKQNAVIMGKKTWFSIPEKNRPLKDRINIVLSRELKEAPKGAHYLSKSLDDALALLDSPELKSKVDMVWIVGGTAVYKAAMEKPINHRLFVTRILHEFESDTFFPEIDYKDFKLLTEYPGVPADIQEEDGIQYKFEVYQKSV---
General information:
TITO was launched using:
RESULT:
Template:
8DFR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124480 for 1379 contacts (-90.3/contact) +
2D Compatibility (PS) -20416 + (NN) -9905 + (LL) 440
1D Compatibility (HY) -26800 + (ID) 9300
Total energy: -190461.0 ( -138.12 by residue)
QMean score : 0.765
(partial model without unconserved sides chains):
PDB file :
Tito_8DFR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-8DFR-query.scw
PDB file :
Tito_Scwrl_8DFR.pdb
: