Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEQEMTEQWLEGCAVQRIMFRDGLVLNFDDYNELVISVPLQLTLPAIETSPAEVVAIDPNDPADHERPLFDFAGATCTAFVWYDTGDLHLEFSDGHQIDVHPD-----DRVTAWELYGKYHGYAACLAPGKLRVVRHDVADANGDQ
2NUB Chain:A ((558-592))
------------------------------------------------------------------------------------------LGFKKGSKIVVHRDGRLYRDEVAAFKKYGELYGYS----------------------
General information:
TITO was launched using:
RESULT:
Template:
2NUB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -6463 for 120 contacts (-53.9/contact) +
2D Compatibility (PS) -3220 + (NN) -1588 + (LL) 7540
1D Compatibility (HY) -3200 + (ID) 700
Total energy: -7631.0 ( -63.59 by residue)
QMean score : -0.047
(partial model without unconserved sides chains):
PDB file :
Tito_2NUB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NUB-query.scw
PDB file :
Tito_Scwrl_2NUB.pdb
: