Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
1S3W Chain:A ((1-186))
-VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
General information:
TITO was launched using:
RESULT:
Template:
1S3W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109850 for 1397 contacts (-78.6/contact) +
2D Compatibility (PS) -20260 + (NN) -9602 + (LL) 208
1D Compatibility (HY) -26800 + (ID) 9300
Total energy: -175604.0 ( -125.70 by residue)
QMean score : 0.733
(partial model without unconserved sides chains):
PDB file :
Tito_1S3W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S3W-query.scw
PDB file :
Tito_Scwrl_1S3W.pdb
: