Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDYVYNLVKKHHSVRKFKN-KPLSEDVVKKLVEAGQSASTSSFLQAYSIIGIDDEKIKENLREVS--GQPYVVENGYLFVFVIDYYRHHLVDQHAETD-------------M-ENAY------GSTEGLLVGAIDAALVAENIAVTAEDMGYGIVFLGSLRNDVERVREILDLPD-YVFPVFGMAVGEPADDENGAAKPRLPFDHVFHHNKYHADKETQYAQMADYDQTISEYYDQRTNGNRKETWSQQIEMFLGNKARLDMLEQLQKSGLIQR
3GBH Chain:A ((8-212))
-INDFNEVLNSRKSVKVFDENYKIPREEMDEIITKATKAPSSVNMQPWRIAVVQSDEMKEKVKESFGFNSRQLTTSSAMLIIFGDLQNYEKAEQIYGDAVEQQLMTEDIKAQLLDWILPYYKNLSREGMKDIVNIDSSLMAMQLMLTAKAHGYDTNPIGGF--DKENIADIIGYDSDRYVPVLAIAIGKKAQD--AHDSVRLPIDDVREF-----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3GBH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105544 for 1322 contacts (-79.8/contact) +
2D Compatibility (PS) -19578 + (NN) -10515 + (LL) 4964
1D Compatibility (HY) -9600 + (ID) 1750
Total energy: -142023.0 ( -107.43 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_3GBH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GBH-query.scw
PDB file :
Tito_Scwrl_3GBH.pdb
: