Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRSFVLLAFTLSLLAGCSSGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS
4BJ4 Chain:A ((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) -115741 for 1853 contacts (-62.5/contact) +
2D Compatibility (PS) -27101 + (NN) -19448 + (LL) 1784
1D Compatibility (HY) -30400 + (ID) 12150
Total energy: -203056.0 ( -109.58 by residue)
QMean score : 0.613
(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
: