Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MELNKIAASILLSGLIIMIVSNVVDMLYNPEKYKIEHQTMVATGSNEPQKKIEQVALDIGALMQSASLEKGKSI-AKKCIACHSFDKGGANKVGPNLWNIVGNKKAHLGDSFNYSKAMLEKGGKWGYEELFAFLKSPKDYIKGTRMAFAGISNPQEIADLVSYLRQLSDNQVALPK
4RSZ Chain:E ((1-103))
-----------------------------------------------------------------GDVEKGKKIFVQKCAQCHTVEKGGKHKTGPNLHGLFGRKTGQ-APGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE------
General information:
TITO was launched using:
RESULT:
Template:
4RSZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -23602 for 708 contacts (-33.3/contact) +
2D Compatibility (PS) -10962 + (NN) -3984 + (LL) 6416
1D Compatibility (HY) -6400 + (ID) 2200
Total energy: -40732.0 ( -57.53 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_4RSZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4RSZ-query.scw
PDB file :
Tito_Scwrl_4RSZ.pdb
: