Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN
2W3B Chain:A ((2-186))
-VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKN-
General information:
TITO was launched using:
RESULT:
Template:
2W3B.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122686 for 1369 contacts (-89.6/contact) +
2D Compatibility (PS) -20145 + (NN) -11006 + (LL) 128
1D Compatibility (HY) -25200 + (ID) 8100
Total energy: -187009.0 ( -136.60 by residue)
QMean score : 0.723
(partial model without unconserved sides chains):
PDB file :
Tito_2W3B.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W3B-query.scw
PDB file :
Tito_Scwrl_2W3B.pdb
: