Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRSFVLLAFTLSLLAGCSSGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS
4BPA Chain:B ((19-259))
------------------SGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS
General information:
TITO was launched using:
RESULT:
Template:
4BPA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106429 for 1878 contacts (-56.7/contact) +
2D Compatibility (PS) -27047 + (NN) -22115 + (LL) 1784
1D Compatibility (HY) -30000 + (ID) 12050
Total energy: -195857.0 ( -104.29 by residue)
QMean score : 0.642
(partial model without unconserved sides chains):
PDB file :
Tito_4BPA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BPA-query.scw
PDB file :
Tito_Scwrl_4BPA.pdb
: