Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN
3NXT Chain:A ((1-186))
-VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
General information:
TITO was launched using:
RESULT:
Template:
3NXT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121253 for 1405 contacts (-86.3/contact) +
2D Compatibility (PS) -20085 + (NN) -8862 + (LL) 208
1D Compatibility (HY) -25200 + (ID) 8100
Total energy: -183292.0 ( -130.46 by residue)
QMean score : 0.685
(partial model without unconserved sides chains):
PDB file :
Tito_3NXT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NXT-query.scw
PDB file :
Tito_Scwrl_3NXT.pdb
: