Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN
2W3M Chain:A ((2-187))
-VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
General information:
TITO was launched using:
RESULT:
Template:
2W3M.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117954 for 1357 contacts (-86.9/contact) +
2D Compatibility (PS) -20233 + (NN) -10452 + (LL) 208
1D Compatibility (HY) -25200 + (ID) 8100
Total energy: -181731.0 ( -133.92 by residue)
QMean score : 0.712
(partial model without unconserved sides chains):
PDB file :
Tito_2W3M.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W3M-query.scw
PDB file :
Tito_Scwrl_2W3M.pdb
: