Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN
3K45 Chain:A ((1-186))
-VRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPRGAHFLAKSLDDALRLIEQPDLASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLGKYKLLPEYPGVLSEVQEEKGIKYKFEVYEKKD
General information:
TITO was launched using:
RESULT:
Template:
3K45.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114923 for 1394 contacts (-82.4/contact) +
2D Compatibility (PS) -20231 + (NN) -12289 + (LL) 208
1D Compatibility (HY) -26000 + (ID) 8300
Total energy: -181535.0 ( -130.23 by residue)
QMean score : 0.715
(partial model without unconserved sides chains):
PDB file :
Tito_3K45.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K45-query.scw
PDB file :
Tito_Scwrl_3K45.pdb
: