Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRSFVLLAFTLSLLAGCSSGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS
4BJ4 Chain:B ((2-246))
--------------AFMSSGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS
General information:
TITO was launched using:
RESULT:
Template:
4BJ4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111049 for 1852 contacts (-60.0/contact) +
2D Compatibility (PS) -27380 + (NN) -22050 + (LL) 1784
1D Compatibility (HY) -30400 + (ID) 12150
Total energy: -201245.0 ( -108.66 by residue)
QMean score : 0.648
(partial model without unconserved sides chains):
PDB file :
Tito_4BJ4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BJ4-query.scw
PDB file :
Tito_Scwrl_4BJ4.pdb
: