Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN
3NU0 Chain:A ((1-186))
-VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
General information:
TITO was launched using:
RESULT:
Template:
3NU0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117667 for 1413 contacts (-83.3/contact) +
2D Compatibility (PS) -20258 + (NN) -11157 + (LL) 208
1D Compatibility (HY) -25200 + (ID) 8100
Total energy: -182174.0 ( -128.93 by residue)
QMean score : 0.693
(partial model without unconserved sides chains):
PDB file :
Tito_3NU0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NU0-query.scw
PDB file :
Tito_Scwrl_3NU0.pdb
: