Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
2W3A Chain:B ((2-187))
-VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
General information:
TITO was launched using:
RESULT:
Template:
2W3A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115963 for 1363 contacts (-85.1/contact) +
2D Compatibility (PS) -20164 + (NN) -9486 + (LL) 208
1D Compatibility (HY) -26800 + (ID) 9300
Total energy: -181505.0 ( -133.17 by residue)
QMean score : 0.818
(partial model without unconserved sides chains):
PDB file :
Tito_2W3A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W3A-query.scw
PDB file :
Tito_Scwrl_2W3A.pdb
: