Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MELNKIAASILLSGLIIMIVSNVVDMLYNPEKYKIEHQTMVATGSNEPQKKIEQVALDIGALMQSASLEKGKSI-AKKCIACHSFDKGGANKVGPNLWNIVGNKKAHLGDSFNYSKAMLEKGGKWGYEELFAFLKSPKDYIKGTRMAFAGISNPQEIADLVSYLRQLSDNQVALPK
3NBT Chain:B ((1-103))
-----------------------------------------------------------------GDVEKGKKIFVQKCAQCHTVEKGGKHKTGPNLHGLFGRKTGQ-APGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE------
General information:
TITO was launched using:
RESULT:
Template:
3NBT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -1545 for 560 contacts (-2.8/contact) +
2D Compatibility (PS) -10802 + (NN) -2911 + (LL) 6416
1D Compatibility (HY) -6400 + (ID) 2200
Total energy: -17442.0 ( -31.15 by residue)
QMean score : 0.407
(partial model without unconserved sides chains):
PDB file :
Tito_3NBT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NBT-query.scw
PDB file :
Tito_Scwrl_3NBT.pdb
: