Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MELNKIAASILLSGLIIMIVSNVVDMLYNPEKYKIEHQTMVATGSNEPQKKIEQVALDIGALMQSASLEKGKSIAKKCIACHSFDKGGANKVGPNLWNIVGNKKAHLGDSFNYSKAMLEK---GGKWGYEELFAFLKSPKDYIK--------------GTRMAFAGISNPQEIADLVSYLRQLSDNQVALPK
1JDL Chain:A ((3-120))
-----------------------------------------------------------------GDPAKGEAVFKKCMACHRVGPDAKNLVGPALTGVIDRQAGTA-PGFNYSAINHAAGEAGLHWTPENIIAYLPDPNAFLRKFLADAGHAEQAKGSTKMVFK-LPDEQERKDVVAYLKQFSP-------
General information:
TITO was launched using:
RESULT:
Template:
1JDL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -33723 for 721 contacts (-46.8/contact) +
2D Compatibility (PS) -10677 + (NN) -1033 + (LL) 5960
1D Compatibility (HY) -7600 + (ID) 1700
Total energy: -48773.0 ( -67.65 by residue)
QMean score : 0.532
(partial model without unconserved sides chains):
PDB file :
Tito_1JDL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JDL-query.scw
PDB file :
Tito_Scwrl_1JDL.pdb
: