Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN
2C2S Chain:B ((1-186))
-VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
General information:
TITO was launched using:
RESULT:
Template:
2C2S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119528 for 1380 contacts (-86.6/contact) +
2D Compatibility (PS) -20265 + (NN) -11244 + (LL) 208
1D Compatibility (HY) -25200 + (ID) 8100
Total energy: -184129.0 ( -133.43 by residue)
QMean score : 0.736
(partial model without unconserved sides chains):
PDB file :
Tito_2C2S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2C2S-query.scw
PDB file :
Tito_Scwrl_2C2S.pdb
: