Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVRPLNCIVAVSQNMGIGKNGDLPWPLLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPQGAHFLAKSLDDALKLIEQPELASKVDMVWVVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLEKYKLLPEYPGVLSEIQEEKGIKYKFEVYEKKD
3NXR Chain:A ((1-186))
-VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
General information:
TITO was launched using:
RESULT:
Template:
3NXR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119568 for 1396 contacts (-85.7/contact) +
2D Compatibility (PS) -20049 + (NN) -8133 + (LL) 208
1D Compatibility (HY) -26000 + (ID) 8350
Total energy: -181892.0 ( -130.30 by residue)
QMean score : 0.673
(partial model without unconserved sides chains):
PDB file :
Tito_3NXR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NXR-query.scw
PDB file :
Tito_Scwrl_3NXR.pdb
: