Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRSFVLLAFTLSLLAGCSSGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS
4BOL Chain:B ((17-259))
----------------MSSGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS
General information:
TITO was launched using:
RESULT:
Template:
4BOL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111329 for 1856 contacts (-60.0/contact) +
2D Compatibility (PS) -27104 + (NN) -21570 + (LL) 1756
1D Compatibility (HY) -30400 + (ID) 12100
Total energy: -200747.0 ( -108.16 by residue)
QMean score : 0.661
(partial model without unconserved sides chains):
PDB file :
Tito_4BOL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BOL-query.scw
PDB file :
Tito_Scwrl_4BOL.pdb
: